Magnetic Space Groups Compiled by Harold T. Stokes and Branton J. Campbell Brigham Young University, Provo, Utah, USA June 2010 Table 1. Listed in order of BNS number BNS: Setting of N. V. Belov, N. N. Neronova and T. S. Smirnova OG: Setting of W. Opechowski and R. Guccione This data is based on data from: Daniel Litvin,"Magnetic Space Group Types," Acta Crystallographica (2001) A57 729-730. (http://www.bk.psu.edu/faculty/litvin/Download.html) C. J. Bradley and A. P. Cracknell, The Mathematical Theory of Symmetry in Solids" (Clarendon Press, Oxford, 1972). ---------- Definition of point operator symbols (from Litvin) Non-hexagonal groups: 1 x,y,z 4x x,-z,y 4x-1 x,z,-y 4y z,y,-x 4y-1 -z,y,x 4z -y,x,z 4z-1 y,-x,z 2x x,-y,-z 2y -x,y,-z 2z -x,-y,z 2xy y,x,-z 2-xy -y,-x,-z 2yz -x,z,y 2-yz -x,-z,-y 2xz z,-y,x 2-xz -z,-y,-x 3xyz z,x,y 3xyz-1 y,z,x 3-xyz -y,z,-x 3-xyz-1 -z,-x,y 3x-yz -y,-z,x 3x-yz-1 z,-x,-y 3xy-z y,-z,-x 3xy-z-1 -z,x,-y -1 -x,-y,-z -4x -x,z,-y -4x-1 -x,-z,y -4y -z,-y,x -4y-1 z,-y,-x -4z y,-x,-z -4z-1 -y,x,-z mx -x,y,z my x,-y,z mz x,y,-z mxy -y,-x,z m-xy y,x,z myz x,-z,-y m-yz x,z,y mxz -z,y,-x m-xz z,y,x -3xyz -z,-x,-y -3xyz-1 -y,-z,-x -3-xyz y,-z,x -3-xyz-1 z,x,-y -3x-yz y,z,-x -3x-yz-1 -z,x,y -3xy-z -y,z,x -3xy-z-1 z,-x,y Hexagonal groups: 1 x,y,z 6z x-y,x,z 3z -y,x-y,z 2z -x,-y,z 3z-1 -x+y,-x,z 6z-1 y,-x+y,z 2x x-y,-y,-z 2xy y,x,-z 2y -x,-x+y,-z 21 x,x-y,-z 22 -x+y,y,-z 23 -y,-x,-z -1 -x,-y,-z -6z -x+y,-x,-z -3z y,-x+y,-z mz x,y,-z -3z-1 x-y,x,-z -6z-1 -y,x-y,-z mx -x+y,y,z mxy -y,-x,z my x,x-y,z m1 -x,-x+y,z m2 x-y,-y,z m3 y,x,z ---------- Magnetic Space Groups ---------- UNI: 1.1 P1.1 BNS: 1.1 P1 OG: 1.1.1 P1 Operators: (1|0,0,0) Wyckoff positions: 1a (x,y,z;mx,my,mz) ---------- UNI: 1.2 P1.1' BNS: 1.2 P11' OG: 1.2.2 P11' Operators: (1|0,0,0) (1|0,0,0)' Wyckoff positions: 1a (x,y,z;0,0,0) ---------- UNI: 1.3 P1.1'_c[P1] BNS: 1.3 P_S1 OG: 1.3.3 P_2s1 OG-BNS transformation: (0,0,0;a,b,2c) Operators (BNS): (1|0,0,0) (1|0,0,1/2)' Wyckoff positions (BNS): 2a (x,y,z;mx,my,mz) (x,y,z+1/2;-mx,-my,-mz) Operators (OG): (1|0,0,0) (1|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 2a (x,y,z;mx,my,mz) (x,y,z+1;-mx,-my,-mz) ---------- UNI: 2.4 P-1.1 BNS: 2.4 P-1 OG: 2.1.4 P-1 Operators: (1|0,0,0) (-1|0,0,0) Wyckoff positions: 2i (x,y,z;mx,my,mz) (-x,-y,-z;mx,my,mz) 1h (1/2,1/2,1/2;mx,my,mz) 1g (0,1/2,1/2;mx,my,mz) 1f (1/2,0,1/2;mx,my,mz) 1e (1/2,1/2,0;mx,my,mz) 1d (1/2,0,0;mx,my,mz) 1c (0,1/2,0;mx,my,mz) 1b (0,0,1/2;mx,my,mz) 1a (0,0,0;mx,my,mz) ---------- UNI: 2.5 P-1.1' BNS: 2.5 P-11' OG: 2.2.5 P-11' Operators: (1|0,0,0) (-1|0,0,0) (1|0,0,0)' (-1|0,0,0)' Wyckoff positions: 2i (x,y,z;0,0,0) (-x,-y,-z;0,0,0) 1h (1/2,1/2,1/2;0,0,0) 1g (0,1/2,1/2;0,0,0) 1f (1/2,0,1/2;0,0,0) 1e (1/2,1/2,0;0,0,0) 1d (1/2,0,0;0,0,0) 1c (0,1/2,0;0,0,0) 1b (0,0,1/2;0,0,0) 1a (0,0,0;0,0,0) ---------- UNI: 2.6 P-1' BNS: 2.6 P-1' OG: 2.3.6 P-1' Operators: (1|0,0,0) (-1|0,0,0)' Wyckoff positions: 2i (x,y,z;mx,my,mz) (-x,-y,-z;-mx,-my,-mz) 1h (1/2,1/2,1/2;0,0,0) 1g (0,1/2,1/2;0,0,0) 1f (1/2,0,1/2;0,0,0) 1e (1/2,1/2,0;0,0,0) 1d (1/2,0,0;0,0,0) 1c (0,1/2,0;0,0,0) 1b (0,0,1/2;0,0,0) 1a (0,0,0;0,0,0) ---------- UNI: 2.7 P-1.1'_c[P-1] BNS: 2.7 P_S-1 OG: 2.4.7 P_2s-1 OG-BNS transformation: (0,0,0;a,b,2c) Operators (BNS): (1|0,0,0) (-1|0,0,0) (1|0,0,1/2)' (-1|0,0,1/2)' Wyckoff positions (BNS): 4i (x,y,z;mx,my,mz) (-x,-y,-z;mx,my,mz) (x,y,z+1/2;-mx,-my,-mz) (-x,-y,-z+1/2;-mx,-my,-mz) 2h (1/2,1/2,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) 2g (0,1/2,1/4;0,0,0) (0,1/2,3/4;0,0,0) 2f (1/2,0,1/4;0,0,0) (1/2,0,3/4;0,0,0) 2e (1/2,1/2,0;mx,my,mz) (1/2,1/2,1/2;-mx,-my,-mz) 2d (1/2,0,0;mx,my,mz) (1/2,0,1/2;-mx,-my,-mz) 2c (0,1/2,0;mx,my,mz) (0,1/2,1/2;-mx,-my,-mz) 2b (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 2a (0,0,0;mx,my,mz) (0,0,1/2;-mx,-my,-mz) Operators (OG): (1|0,0,0) (-1|0,0,0) (1|0,0,1)' (-1|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 4i (x,y,z;mx,my,mz) (-x,-y,-z;mx,my,mz) (x,y,z+1;-mx,-my,-mz) (-x,-y,-z+1;-mx,-my,-mz) 2h (1/2,1/2,1/2;0,0,0) (-1/2,-1/2,-1/2;0,0,0) 2g (0,1/2,1/2;0,0,0) (0,-1/2,-1/2;0,0,0) 2f (1/2,0,1/2;0,0,0) (-1/2,0,-1/2;0,0,0) 2e (1/2,1/2,0;mx,my,mz) (1/2,1/2,1;-mx,-my,-mz) 2d (1/2,0,0;mx,my,mz) (1/2,0,1;-mx,-my,-mz) 2c (0,1/2,0;mx,my,mz) (0,1/2,1;-mx,-my,-mz) 2b (0,0,1/2;0,0,0) (0,0,-1/2;0,0,0) 2a (0,0,0;mx,my,mz) (0,0,1;-mx,-my,-mz) ---------- UNI: 3.1 P2.1 BNS: 3.1 P2 OG: 3.1.8 P2 Operators: (1|0,0,0) (2y|0,0,0) Wyckoff positions: 2e (x,y,z;mx,my,mz) (-x,y,-z;-mx,my,-mz) 1d (1/2,y,1/2;0,my,0) 1c (1/2,y,0;0,my,0) 1b (0,y,1/2;0,my,0) 1a (0,y,0;0,my,0) ---------- UNI: 3.2 P2.1' BNS: 3.2 P21' OG: 3.2.9 P21' Operators: (1|0,0,0) (2y|0,0,0) (1|0,0,0)' (2y|0,0,0)' Wyckoff positions: 2e (x,y,z;0,0,0) (-x,y,-z;0,0,0) 1d (1/2,y,1/2;0,0,0) 1c (1/2,y,0;0,0,0) 1b (0,y,1/2;0,0,0) 1a (0,y,0;0,0,0) ---------- UNI: 3.3 P2' BNS: 3.3 P2' OG: 3.3.10 P2' Operators: (1|0,0,0) (2y|0,0,0)' Wyckoff positions: 2e (x,y,z;mx,my,mz) (-x,y,-z;mx,-my,mz) 1d (1/2,y,1/2;mx,0,mz) 1c (1/2,y,0;mx,0,mz) 1b (0,y,1/2;mx,0,mz) 1a (0,y,0;mx,0,mz) ---------- UNI: 3.4 P2.1'_a[P2] BNS: 3.4 P_a2 OG: 3.4.11 P_2a2 OG-BNS transformation: (0,0,0;2a,b,c) Operators (BNS): (1|0,0,0) (2y|0,0,0) (1|1/2,0,0)' (2y|1/2,0,0)' Wyckoff positions (BNS): 4e (x,y,z;mx,my,mz) (-x,y,-z;-mx,my,-mz) (x+1/2,y,z;-mx,-my,-mz) (-x+1/2,y,-z;mx,-my,mz) 2d (1/4,y,1/2;mx,0,mz) (3/4,y,1/2;-mx,0,-mz) 2c (1/4,y,0;mx,0,mz) (3/4,y,0;-mx,0,-mz) 2b (0,y,1/2;0,my,0) (1/2,y,1/2;0,-my,0) 2a (0,y,0;0,my,0) (1/2,y,0;0,-my,0) Operators (OG): (1|0,0,0) (2y|0,0,0) (1|1,0,0)' (2y|1,0,0)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,1,0)+ (0,0,1)+ 4e (x,y,z;mx,my,mz) (-x,y,-z;-mx,my,-mz) (x+1,y,z;-mx,-my,-mz) (-x+1,y,-z;mx,-my,mz) 2d (1/2,y,1/2;mx,0,mz) (-1/2,y,-1/2;-mx,0,-mz) 2c (1/2,y,0;mx,0,mz) (-1/2,y,0;-mx,0,-mz) 2b (0,y,1/2;0,my,0) (1,y,1/2;0,-my,0) 2a (0,y,0;0,my,0) (1,y,0;0,-my,0) ---------- UNI: 3.5 P2.1'_b[P2] BNS: 3.5 P_b2 OG: 3.5.12 P_2b2 OG-BNS transformation: (0,0,0;a,2b,c) Operators (BNS): (1|0,0,0) (2y|0,0,0) (1|0,1/2,0)' (2y|0,1/2,0)' Wyckoff positions (BNS): 4e (x,y,z;mx,my,mz) (-x,y,-z;-mx,my,-mz) (x,y+1/2,z;-mx,-my,-mz) (-x,y+1/2,-z;mx,-my,mz) 2d (1/2,y,1/2;0,my,0) (1/2,y+1/2,1/2;0,-my,0) 2c (1/2,y,0;0,my,0) (1/2,y+1/2,0;0,-my,0) 2b (0,y,1/2;0,my,0) (0,y+1/2,1/2;0,-my,0) 2a (0,y,0;0,my,0) (0,y+1/2,0;0,-my,0) Operators (OG): (1|0,0,0) (2y|0,0,0) (1|0,1,0)' (2y|0,1,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,2,0)+ (0,0,1)+ 4e (x,y,z;mx,my,mz) (-x,y,-z;-mx,my,-mz) (x,y+1,z;-mx,-my,-mz) (-x,y+1,-z;mx,-my,mz) 2d (1/2,y,1/2;0,my,0) (1/2,y+1,1/2;0,-my,0) 2c (1/2,y,0;0,my,0) (1/2,y+1,0;0,-my,0) 2b (0,y,1/2;0,my,0) (0,y+1,1/2;0,-my,0) 2a (0,y,0;0,my,0) (0,y+1,0;0,-my,0) ---------- UNI: 3.6 P2.1'_C[C2] BNS: 3.6 P_C2 OG: 5.5.23 C_P2 OG-BNS transformation: (0,0,0;a,b,c) Operators (BNS): (1|0,0,0) (2y|0,0,0) (1|1/2,1/2,0)' (2y|1/2,1/2,0)' Wyckoff positions (BNS): 4c (x,y,z;mx,my,mz) (-x,y,-z;-mx,my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x+1/2,y+1/2,-z;mx,-my,mz) 2b (0,y,1/2;0,my,0) (1/2,y+1/2,1/2;0,-my,0) 2a (0,y,0;0,my,0) (1/2,y+1/2,0;0,-my,0) Operators (OG): (1|0,0,0) (2y|0,0,0) (1|1/2,1/2,0)' (2y|1/2,1/2,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 4c (x,y,z;mx,my,mz) (-x,y,-z;-mx,my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x+1/2,y+1/2,-z;mx,-my,mz) 2b (0,y,1/2;0,my,0) (1/2,y+1/2,1/2;0,-my,0) 2a (0,y,0;0,my,0) (1/2,y+1/2,0;0,-my,0) ---------- UNI: 4.7 P2_1.1 BNS: 4.7 P2_1 OG: 4.1.15 P2_1 Operators: (1|0,0,0) (2y|0,1/2,0) Wyckoff positions: 2a (x,y,z;mx,my,mz) (-x,y+1/2,-z;-mx,my,-mz) ---------- UNI: 4.8 P2_1.1' BNS: 4.8 P2_11' OG: 4.2.16 P2_11' Operators: (1|0,0,0) (2y|0,1/2,0) (1|0,0,0)' (2y|0,1/2,0)' Wyckoff positions: 2a (x,y,z;0,0,0) (-x,y+1/2,-z;0,0,0) ---------- UNI: 4.9 P2_1' BNS: 4.9 P2_1' OG: 4.3.17 P2_1' Operators: (1|0,0,0) (2y|0,1/2,0)' Wyckoff positions: 2a (x,y,z;mx,my,mz) (-x,y+1/2,-z;mx,-my,mz) ---------- UNI: 4.10 P2_1.1'_a[P2_1] BNS: 4.10 P_a2_1 OG: 4.4.18 P_2a2_1 OG-BNS transformation: (0,0,0;2a,b,c) Operators (BNS): (1|0,0,0) (2y|0,1/2,0) (1|1/2,0,0)' (2y|1/2,1/2,0)' Wyckoff positions (BNS): 4a (x,y,z;mx,my,mz) (-x,y+1/2,-z;-mx,my,-mz) (x+1/2,y,z;-mx,-my,-mz) (-x+1/2,y+1/2,-z;mx,-my,mz) Operators (OG): (1|0,0,0) (2y|0,1/2,0) (1|1,0,0)' (2y|1,1/2,0)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,1,0)+ (0,0,1)+ 4a (x,y,z;mx,my,mz) (-x,y+1/2,-z;-mx,my,-mz) (x+1,y,z;-mx,-my,-mz) (-x+1,y+1/2,-z;mx,-my,mz) ---------- UNI: 4.11 P2_1.1'_b[P2] BNS: 4.11 P_b2_1 OG: 3.7.14 P_2b2' OG-BNS transformation: (0,0,0;a,2b,c) Operators (BNS): (1|0,0,0) (2y|0,1/2,0) (1|0,1/2,0)' (2y|0,0,0)' Wyckoff positions (BNS): 4e (x,y,z;mx,my,mz) (-x,y+1/2,-z;-mx,my,-mz) (x,y+1/2,z;-mx,-my,-mz) (-x,y,-z;mx,-my,mz) 2d (1/2,y,1/2;mx,0,mz) (1/2,y+1/2,1/2;-mx,0,-mz) 2c (1/2,y,0;mx,0,mz) (1/2,y+1/2,0;-mx,0,-mz) 2b (0,y,1/2;mx,0,mz) (0,y+1/2,1/2;-mx,0,-mz) 2a (0,y,0;mx,0,mz) (0,y+1/2,0;-mx,0,-mz) Operators (OG): (1|0,0,0) (2y|0,1,0) (1|0,1,0)' (2y|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,2,0)+ (0,0,1)+ 4e (x,y,z;mx,my,mz) (-x,y+1,-z;-mx,my,-mz) (x,y+1,z;-mx,-my,-mz) (-x,y,-z;mx,-my,mz) 2d (1/2,y,1/2;mx,0,mz) (-1/2,y+1,-1/2;-mx,0,-mz) 2c (1/2,y,0;mx,0,mz) (-1/2,y+1,0;-mx,0,-mz) 2b (0,y,1/2;mx,0,mz) (0,y+1,-1/2;-mx,0,-mz) 2a (0,y,0;mx,0,mz) (0,y+1,0;-mx,0,-mz) ---------- UNI: 4.12 P2_1.1'_C[C2] BNS: 4.12 P_C2_1 OG: 5.6.24 C_P2' OG-BNS transformation: (1/4,0,0;a,b,c) Operators (BNS): (1|0,0,0) (2y|0,1/2,0) (1|1/2,1/2,0)' (2y|1/2,0,0)' Wyckoff positions (BNS): 4c (x,y,z;mx,my,mz) (-x,y+1/2,-z;-mx,my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x+1/2,y,-z;mx,-my,mz) 2b (3/4,y,1/2;mx,0,mz) (1/4,y+1/2,1/2;-mx,0,-mz) 2a (3/4,y,0;mx,0,mz) (1/4,y+1/2,0;-mx,0,-mz) Operators (OG): (1|0,0,0) (2y|1/2,1/2,0) (1|1/2,1/2,0)' (2y|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 4c (x,y,z;mx,my,mz) (-x+1/2,y+1/2,-z;-mx,my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x,y,-z;mx,-my,mz) 2b (0,y,1/2;mx,0,mz) (1/2,y+1/2,-1/2;-mx,0,-mz) 2a (0,y,0;mx,0,mz) (1/2,y+1/2,0;-mx,0,-mz) ---------- UNI: 5.13 C2.1 BNS: 5.13 C2 OG: 5.1.19 C2 Operators: (1|0,0,0) (2y|0,0,0) Wyckoff positions: (0,0,0)+ (1/2,1/2,0)+ 4c (x,y,z;mx,my,mz) (-x,y,-z;-mx,my,-mz) 2b (0,y,1/2;0,my,0) 2a (0,y,0;0,my,0) ---------- UNI: 5.14 C2.1' BNS: 5.14 C21' OG: 5.2.20 C21' Operators: (1|0,0,0) (2y|0,0,0) (1|0,0,0)' (2y|0,0,0)' Wyckoff positions: (0,0,0)+ (1/2,1/2,0)+ 4c (x,y,z;0,0,0) (-x,y,-z;0,0,0) 2b (0,y,1/2;0,0,0) 2a (0,y,0;0,0,0) ---------- UNI: 5.15 C2' BNS: 5.15 C2' OG: 5.3.21 C2' Operators: (1|0,0,0) (2y|0,0,0)' Wyckoff positions: (0,0,0)+ (1/2,1/2,0)+ 4c (x,y,z;mx,my,mz) (-x,y,-z;mx,-my,mz) 2b (0,y,1/2;mx,0,mz) 2a (0,y,0;mx,0,mz) ---------- UNI: 5.16 C2.1'_c[C2] BNS: 5.16 C_c2 OG: 5.4.22 C_2c2 OG-BNS transformation: (0,0,0;a,b,2c) Operators (BNS): (1|0,0,0) (2y|0,0,0) (1|0,0,1/2)' (2y|0,0,1/2)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,0)+ 8c (x,y,z;mx,my,mz) (-x,y,-z;-mx,my,-mz) (x,y,z+1/2;-mx,-my,-mz) (-x,y,-z+1/2;mx,-my,mz) 4b (0,y,1/4;mx,0,mz) (0,y,3/4;-mx,0,-mz) 4a (0,y,0;0,my,0) (0,y,1/2;0,-my,0) Operators (OG): (1|0,0,0) (2y|0,0,0) (1|0,0,1)' (2y|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ (1/2,1/2,0)+ 8c (x,y,z;mx,my,mz) (-x,y,-z;-mx,my,-mz) (x,y,z+1;-mx,-my,-mz) (-x,y,-z+1;mx,-my,mz) 4b (0,y,1/2;mx,0,mz) (0,y,-1/2;-mx,0,-mz) 4a (0,y,0;0,my,0) (0,y,1;0,-my,0) ---------- UNI: 5.17 C2.1'_a[P2] BNS: 5.17 C_a2 OG: 3.6.13 P_C2 OG-BNS transformation: (0,0,0;2a,2b,c) Operators (BNS): (1|0,0,0) (2y|0,0,0) (1|1/2,0,0)' (2y|0,1/2,0)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,0)+ 8e (x,y,z;mx,my,mz) (-x,y,-z;-mx,my,-mz) (x+1/2,y,z;-mx,-my,-mz) (-x,y+1/2,-z;mx,-my,mz) 4d (1/4,y,1/2;mx,0,mz) (3/4,y,1/2;-mx,0,-mz) 4c (1/4,y,0;mx,0,mz) (3/4,y,0;-mx,0,-mz) 4b (0,y,1/2;0,my,0) (1/2,y,1/2;0,-my,0) 4a (0,y,0;0,my,0) (1/2,y,0;0,-my,0) Operators (OG): (1|0,0,0) (2y|0,0,0) (1|0,1,0)' (2y|0,1,0)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,2,0)+ (0,0,1)+ (1,1,0)+ 8e (x,y,z;mx,my,mz) (-x,y,-z;-mx,my,-mz) (x,y+1,z;-mx,-my,-mz) (-x,y+1,-z;mx,-my,mz) 4d (1/2,y,1/2;mx,0,mz) (-1/2,y,-1/2;-mx,0,-mz) 4c (1/2,y,0;mx,0,mz) (-1/2,y,0;-mx,0,-mz) 4b (0,y,1/2;0,my,0) (0,y+1,1/2;0,-my,0) 4a (0,y,0;0,my,0) (0,y+1,0;0,-my,0) ---------- UNI: 6.18 Pm.1 BNS: 6.18 Pm OG: 6.1.25 Pm Operators: (1|0,0,0) (my|0,0,0) Wyckoff positions: 2c (x,y,z;mx,my,mz) (x,-y,z;-mx,my,-mz) 1b (x,1/2,z;0,my,0) 1a (x,0,z;0,my,0) ---------- UNI: 6.19 Pm.1' BNS: 6.19 Pm1' OG: 6.2.26 Pm1' Operators: (1|0,0,0) (my|0,0,0) (1|0,0,0)' (my|0,0,0)' Wyckoff positions: 2c (x,y,z;0,0,0) (x,-y,z;0,0,0) 1b (x,1/2,z;0,0,0) 1a (x,0,z;0,0,0) ---------- UNI: 6.20 Pm' BNS: 6.20 Pm' OG: 6.3.27 Pm' Operators: (1|0,0,0) (my|0,0,0)' Wyckoff positions: 2c (x,y,z;mx,my,mz) (x,-y,z;mx,-my,mz) 1b (x,1/2,z;mx,0,mz) 1a (x,0,z;mx,0,mz) ---------- UNI: 6.21 Pm.1'_a[Pm] BNS: 6.21 P_am OG: 6.4.28 P_2am OG-BNS transformation: (0,0,0;2a,b,c) Operators (BNS): (1|0,0,0) (my|0,0,0) (1|1/2,0,0)' (my|1/2,0,0)' Wyckoff positions (BNS): 4c (x,y,z;mx,my,mz) (x,-y,z;-mx,my,-mz) (x+1/2,y,z;-mx,-my,-mz) (x+1/2,-y,z;mx,-my,mz) 2b (x,1/2,z;0,my,0) (x+1/2,1/2,z;0,-my,0) 2a (x,0,z;0,my,0) (x+1/2,0,z;0,-my,0) Operators (OG): (1|0,0,0) (my|0,0,0) (1|1,0,0)' (my|1,0,0)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,1,0)+ (0,0,1)+ 4c (x,y,z;mx,my,mz) (x,-y,z;-mx,my,-mz) (x+1,y,z;-mx,-my,-mz) (x+1,-y,z;mx,-my,mz) 2b (x,1/2,z;0,my,0) (x+1,1/2,z;0,-my,0) 2a (x,0,z;0,my,0) (x+1,0,z;0,-my,0) ---------- UNI: 6.22 Pm.1'_b[Pm] BNS: 6.22 P_bm OG: 6.5.29 P_2bm OG-BNS transformation: (0,0,0;a,2b,c) Operators (BNS): (1|0,0,0) (my|0,0,0) (1|0,1/2,0)' (my|0,1/2,0)' Wyckoff positions (BNS): 4c (x,y,z;mx,my,mz) (x,-y,z;-mx,my,-mz) (x,y+1/2,z;-mx,-my,-mz) (x,-y+1/2,z;mx,-my,mz) 2b (x,1/4,z;mx,0,mz) (x,3/4,z;-mx,0,-mz) 2a (x,0,z;0,my,0) (x,1/2,z;0,-my,0) Operators (OG): (1|0,0,0) (my|0,0,0) (1|0,1,0)' (my|0,1,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,2,0)+ (0,0,1)+ 4c (x,y,z;mx,my,mz) (x,-y,z;-mx,my,-mz) (x,y+1,z;-mx,-my,-mz) (x,-y+1,z;mx,-my,mz) 2b (x,1/2,z;mx,0,mz) (x,-1/2,z;-mx,0,-mz) 2a (x,0,z;0,my,0) (x,1,z;0,-my,0) ---------- UNI: 6.23 Pm.1'_C[Cm] BNS: 6.23 P_Cm OG: 8.5.42 C_Pm OG-BNS transformation: (0,0,0;a,b,c) Operators (BNS): (1|0,0,0) (my|0,0,0) (1|1/2,1/2,0)' (my|1/2,1/2,0)' Wyckoff positions (BNS): 4b (x,y,z;mx,my,mz) (x,-y,z;-mx,my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x+1/2,-y+1/2,z;mx,-my,mz) 2a (x,0,z;0,my,0) (x+1/2,1/2,z;0,-my,0) Operators (OG): (1|0,0,0) (my|0,0,0) (1|1/2,1/2,0)' (my|1/2,1/2,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 4b (x,y,z;mx,my,mz) (x,-y,z;-mx,my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x+1/2,-y+1/2,z;mx,-my,mz) 2a (x,0,z;0,my,0) (x+1/2,1/2,z;0,-my,0) ---------- UNI: 7.24 Pc.1 BNS: 7.24 Pc OG: 7.1.32 Pc Operators: (1|0,0,0) (my|0,0,1/2) Wyckoff positions: 2a (x,y,z;mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) ---------- UNI: 7.25 Pc.1' BNS: 7.25 Pc1' OG: 7.2.33 Pc1' Operators: (1|0,0,0) (my|0,0,1/2) (1|0,0,0)' (my|0,0,1/2)' Wyckoff positions: 2a (x,y,z;0,0,0) (x,-y,z+1/2;0,0,0) ---------- UNI: 7.26 Pc' BNS: 7.26 Pc' OG: 7.3.34 Pc' Operators: (1|0,0,0) (my|0,0,1/2)' Wyckoff positions: 2a (x,y,z;mx,my,mz) (x,-y,z+1/2;mx,-my,mz) ---------- UNI: 7.27 Pc.1'_a[Pc] BNS: 7.27 P_ac OG: 7.4.35 P_2ac OG-BNS transformation: (0,0,0;2a,b,c) Operators (BNS): (1|0,0,0) (my|0,0,1/2) (1|1/2,0,0)' (my|1/2,0,1/2)' Wyckoff positions (BNS): 4a (x,y,z;mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y,z;-mx,-my,-mz) (x+1/2,-y,z+1/2;mx,-my,mz) Operators (OG): (1|0,0,0) (my|0,0,1/2) (1|1,0,0)' (my|1,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,1,0)+ (0,0,1)+ 4a (x,y,z;mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) (x+1,y,z;-mx,-my,-mz) (x+1,-y,z+1/2;mx,-my,mz) ---------- UNI: 7.28 Pc.1'_c[Pm] BNS: 7.28 P_cc OG: 6.7.31 P_2cm' OG-BNS transformation: (0,0,0;a,b,2c) Operators (BNS): (1|0,0,0) (my|0,0,1/2) (1|0,0,1/2)' (my|0,0,0)' Wyckoff positions (BNS): 4c (x,y,z;mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,z+1/2;-mx,-my,-mz) (x,-y,z;mx,-my,mz) 2b (x,1/2,z;mx,0,mz) (x,1/2,z+1/2;-mx,0,-mz) 2a (x,0,z;mx,0,mz) (x,0,z+1/2;-mx,0,-mz) Operators (OG): (1|0,0,0) (my|0,0,1) (1|0,0,1)' (my|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 4c (x,y,z;mx,my,mz) (x,-y,z+1;-mx,my,-mz) (x,y,z+1;-mx,-my,-mz) (x,-y,z;mx,-my,mz) 2b (x,1/2,z;mx,0,mz) (x,-1/2,z+1;-mx,0,-mz) 2a (x,0,z;mx,0,mz) (x,0,z+1;-mx,0,-mz) ---------- UNI: 7.29 Pc.1'_b[Pc] BNS: 7.29 P_bc OG: 7.5.36 P_2bc OG-BNS transformation: (0,0,0;a,2b,c) Operators (BNS): (1|0,0,0) (my|0,0,1/2) (1|0,1/2,0)' (my|0,1/2,1/2)' Wyckoff positions (BNS): 4a (x,y,z;mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) (x,y+1/2,z;-mx,-my,-mz) (x,-y+1/2,z+1/2;mx,-my,mz) Operators (OG): (1|0,0,0) (my|0,0,1/2) (1|0,1,0)' (my|0,1,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,2,0)+ (0,0,1)+ 4a (x,y,z;mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) (x,y+1,z;-mx,-my,-mz) (x,-y+1,z+1/2;mx,-my,mz) ---------- UNI: 7.30 Pc.1'_C[Cc] BNS: 7.30 P_Cc OG: 9.4.48 C_Pc OG-BNS transformation: (0,0,0;a,b,c) Operators (BNS): (1|0,0,0) (my|0,0,1/2) (1|1/2,1/2,0)' (my|1/2,1/2,1/2)' Wyckoff positions (BNS): 4a (x,y,z;mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) Operators (OG): (1|0,0,0) (my|0,0,1/2) (1|1/2,1/2,0)' (my|1/2,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 4a (x,y,z;mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) ---------- UNI: 7.31 Pc.1'_A[Am] BNS: 7.31 P_Ac OG: 8.7.44 C_Pm' OG-BNS transformation: (0,1/4,0;c,-b,a) Operators (BNS): (1|0,0,0) (my|0,0,1/2) (1|0,1/2,1/2)' (my|0,1/2,0)' Wyckoff positions (BNS): 4b (x,y,z;mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (x,-y+1/2,z;mx,-my,mz) 2a (x,1/4,z;mx,0,mz) (x,3/4,z+1/2;-mx,0,-mz) Operators (OG): (1|0,0,0) (my|1/2,1/2,0) (1|1/2,1/2,0)' (my|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (0,0,1)+ (0,-1,0)+ (1,0,0)+ 4b (x,y,z;mx,my,mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x,-y,z;mx,-my,mz) 2a (x,0,z;mx,0,mz) (x+1/2,1/2,z;-mx,0,-mz) ---------- UNI: 8.32 Cm.1 BNS: 8.32 Cm OG: 8.1.38 Cm Operators: (1|0,0,0) (my|0,0,0) Wyckoff positions: (0,0,0)+ (1/2,1/2,0)+ 4b (x,y,z;mx,my,mz) (x,-y,z;-mx,my,-mz) 2a (x,0,z;0,my,0) ---------- UNI: 8.33 Cm.1' BNS: 8.33 Cm1' OG: 8.2.39 Cm1' Operators: (1|0,0,0) (my|0,0,0) (1|0,0,0)' (my|0,0,0)' Wyckoff positions: (0,0,0)+ (1/2,1/2,0)+ 4b (x,y,z;0,0,0) (x,-y,z;0,0,0) 2a (x,0,z;0,0,0) ---------- UNI: 8.34 Cm' BNS: 8.34 Cm' OG: 8.3.40 Cm' Operators: (1|0,0,0) (my|0,0,0)' Wyckoff positions: (0,0,0)+ (1/2,1/2,0)+ 4b (x,y,z;mx,my,mz) (x,-y,z;mx,-my,mz) 2a (x,0,z;mx,0,mz) ---------- UNI: 8.35 Cm.1'_c[Cm] BNS: 8.35 C_cm OG: 8.4.41 C_2cm OG-BNS transformation: (0,0,0;a,b,2c) Operators (BNS): (1|0,0,0) (my|0,0,0) (1|0,0,1/2)' (my|0,0,1/2)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,0)+ 8b (x,y,z;mx,my,mz) (x,-y,z;-mx,my,-mz) (x,y,z+1/2;-mx,-my,-mz) (x,-y,z+1/2;mx,-my,mz) 4a (x,0,z;0,my,0) (x,0,z+1/2;0,-my,0) Operators (OG): (1|0,0,0) (my|0,0,0) (1|0,0,1)' (my|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ (1/2,1/2,0)+ 8b (x,y,z;mx,my,mz) (x,-y,z;-mx,my,-mz) (x,y,z+1;-mx,-my,-mz) (x,-y,z+1;mx,-my,mz) 4a (x,0,z;0,my,0) (x,0,z+1;0,-my,0) ---------- UNI: 8.36 Cm.1'_a[Pm] BNS: 8.36 C_am OG: 6.6.30 P_Cm OG-BNS transformation: (0,0,0;2a,2b,c) Operators (BNS): (1|0,0,0) (my|0,0,0) (1|1/2,0,0)' (my|0,1/2,0)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,0)+ 8c (x,y,z;mx,my,mz) (x,-y,z;-mx,my,-mz) (x+1/2,y,z;-mx,-my,-mz) (x,-y+1/2,z;mx,-my,mz) 4b (x,1/4,z;mx,0,mz) (x,3/4,z;-mx,0,-mz) 4a (x,0,z;0,my,0) (x+1/2,0,z;0,-my,0) Operators (OG): (1|0,0,0) (my|0,0,0) (1|0,1,0)' (my|0,1,0)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,2,0)+ (0,0,1)+ (1,1,0)+ 8c (x,y,z;mx,my,mz) (x,-y,z;-mx,my,-mz) (x,y+1,z;-mx,-my,-mz) (x,-y+1,z;mx,-my,mz) 4b (x,1/2,z;mx,0,mz) (x,-1/2,z;-mx,0,-mz) 4a (x,0,z;0,my,0) (x,1,z;0,-my,0) ---------- UNI: 9.37 Cc.1 BNS: 9.37 Cc OG: 9.1.45 Cc Operators: (1|0,0,0) (my|0,0,1/2) Wyckoff positions: (0,0,0)+ (1/2,1/2,0)+ 4a (x,y,z;mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) ---------- UNI: 9.38 Cc.1' BNS: 9.38 Cc1' OG: 9.2.46 Cc1' Operators: (1|0,0,0) (my|0,0,1/2) (1|0,0,0)' (my|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1/2,1/2,0)+ 4a (x,y,z;0,0,0) (x,-y,z+1/2;0,0,0) ---------- UNI: 9.39 Cc' BNS: 9.39 Cc' OG: 9.3.47 Cc' Operators: (1|0,0,0) (my|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1/2,1/2,0)+ 4a (x,y,z;mx,my,mz) (x,-y,z+1/2;mx,-my,mz) ---------- UNI: 9.40 Cc.1'_c[Cm] BNS: 9.40 C_cc OG: 8.6.43 C_2cm' OG-BNS transformation: (0,0,0;a,b,2c) Operators (BNS): (1|0,0,0) (my|0,0,1/2) (1|0,0,1/2)' (my|0,0,0)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,0)+ 8b (x,y,z;mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,z+1/2;-mx,-my,-mz) (x,-y,z;mx,-my,mz) 4a (x,0,z;mx,0,mz) (x,0,z+1/2;-mx,0,-mz) Operators (OG): (1|0,0,0) (my|0,0,1) (1|0,0,1)' (my|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ (1/2,1/2,0)+ 8b (x,y,z;mx,my,mz) (x,-y,z+1;-mx,my,-mz) (x,y,z+1;-mx,-my,-mz) (x,-y,z;mx,-my,mz) 4a (x,0,z;mx,0,mz) (x,0,z+1;-mx,0,-mz) ---------- UNI: 9.41 Cc.1'_a[Pc] BNS: 9.41 C_ac OG: 7.6.37 P_Cc OG-BNS transformation: (0,0,0;2a,2b,c) Operators (BNS): (1|0,0,0) (my|0,0,1/2) (1|1/2,0,0)' (my|0,1/2,1/2)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,0)+ 8a (x,y,z;mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y,z;-mx,-my,-mz) (x,-y+1/2,z+1/2;mx,-my,mz) Operators (OG): (1|0,0,0) (my|0,0,1/2) (1|0,1,0)' (my|0,1,1/2)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,2,0)+ (0,0,1)+ (1,1,0)+ 8a (x,y,z;mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) (x,y+1,z;-mx,-my,-mz) (x,-y+1,z+1/2;mx,-my,mz) ---------- UNI: 10.42 P2/m.1 BNS: 10.42 P2/m OG: 10.1.49 P2/m Operators: (1|0,0,0) (2y|0,0,0) (-1|0,0,0) (my|0,0,0) Wyckoff positions: 4o (x,y,z;mx,my,mz) (-x,y,-z;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x,-y,z;-mx,my,-mz) 2n (x,1/2,z;0,my,0) (-x,1/2,-z;0,my,0) 2m (x,0,z;0,my,0) (-x,0,-z;0,my,0) 2l (1/2,y,1/2;0,my,0) (1/2,-y,1/2;0,my,0) 2k (0,y,1/2;0,my,0) (0,-y,1/2;0,my,0) 2j (1/2,y,0;0,my,0) (1/2,-y,0;0,my,0) 2i (0,y,0;0,my,0) (0,-y,0;0,my,0) 1h (1/2,1/2,1/2;0,my,0) 1g (1/2,0,1/2;0,my,0) 1f (0,1/2,1/2;0,my,0) 1e (1/2,1/2,0;0,my,0) 1d (1/2,0,0;0,my,0) 1c (0,0,1/2;0,my,0) 1b (0,1/2,0;0,my,0) 1a (0,0,0;0,my,0) ---------- UNI: 10.43 P2/m.1' BNS: 10.43 P2/m1' OG: 10.2.50 P2/m1' Operators: (1|0,0,0) (2y|0,0,0) (-1|0,0,0) (my|0,0,0) (1|0,0,0)' (2y|0,0,0)' (-1|0,0,0)' (my|0,0,0)' Wyckoff positions: 4o (x,y,z;0,0,0) (-x,y,-z;0,0,0) (-x,-y,-z;0,0,0) (x,-y,z;0,0,0) 2n (x,1/2,z;0,0,0) (-x,1/2,-z;0,0,0) 2m (x,0,z;0,0,0) (-x,0,-z;0,0,0) 2l (1/2,y,1/2;0,0,0) (1/2,-y,1/2;0,0,0) 2k (0,y,1/2;0,0,0) (0,-y,1/2;0,0,0) 2j (1/2,y,0;0,0,0) (1/2,-y,0;0,0,0) 2i (0,y,0;0,0,0) (0,-y,0;0,0,0) 1h (1/2,1/2,1/2;0,0,0) 1g (1/2,0,1/2;0,0,0) 1f (0,1/2,1/2;0,0,0) 1e (1/2,1/2,0;0,0,0) 1d (1/2,0,0;0,0,0) 1c (0,0,1/2;0,0,0) 1b (0,1/2,0;0,0,0) 1a (0,0,0;0,0,0) ---------- UNI: 10.44 P2'/m BNS: 10.44 P2'/m OG: 10.3.51 P2'/m Operators: (1|0,0,0) (2y|0,0,0)' (-1|0,0,0)' (my|0,0,0) Wyckoff positions: 4o (x,y,z;mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (x,-y,z;-mx,my,-mz) 2n (x,1/2,z;0,my,0) (-x,1/2,-z;0,-my,0) 2m (x,0,z;0,my,0) (-x,0,-z;0,-my,0) 2l (1/2,y,1/2;mx,0,mz) (1/2,-y,1/2;-mx,0,-mz) 2k (0,y,1/2;mx,0,mz) (0,-y,1/2;-mx,0,-mz) 2j (1/2,y,0;mx,0,mz) (1/2,-y,0;-mx,0,-mz) 2i (0,y,0;mx,0,mz) (0,-y,0;-mx,0,-mz) 1h (1/2,1/2,1/2;0,0,0) 1g (1/2,0,1/2;0,0,0) 1f (0,1/2,1/2;0,0,0) 1e (1/2,1/2,0;0,0,0) 1d (1/2,0,0;0,0,0) 1c (0,0,1/2;0,0,0) 1b (0,1/2,0;0,0,0) 1a (0,0,0;0,0,0) ---------- UNI: 10.45 P2/m' BNS: 10.45 P2/m' OG: 10.4.52 P2/m' Operators: (1|0,0,0) (2y|0,0,0) (-1|0,0,0)' (my|0,0,0)' Wyckoff positions: 4o (x,y,z;mx,my,mz) (-x,y,-z;-mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (x,-y,z;mx,-my,mz) 2n (x,1/2,z;mx,0,mz) (-x,1/2,-z;-mx,0,-mz) 2m (x,0,z;mx,0,mz) (-x,0,-z;-mx,0,-mz) 2l (1/2,y,1/2;0,my,0) (1/2,-y,1/2;0,-my,0) 2k (0,y,1/2;0,my,0) (0,-y,1/2;0,-my,0) 2j (1/2,y,0;0,my,0) (1/2,-y,0;0,-my,0) 2i (0,y,0;0,my,0) (0,-y,0;0,-my,0) 1h (1/2,1/2,1/2;0,0,0) 1g (1/2,0,1/2;0,0,0) 1f (0,1/2,1/2;0,0,0) 1e (1/2,1/2,0;0,0,0) 1d (1/2,0,0;0,0,0) 1c (0,0,1/2;0,0,0) 1b (0,1/2,0;0,0,0) 1a (0,0,0;0,0,0) ---------- UNI: 10.46 P2'/m' BNS: 10.46 P2'/m' OG: 10.5.53 P2'/m' Operators: (1|0,0,0) (2y|0,0,0)' (-1|0,0,0) (my|0,0,0)' Wyckoff positions: 4o (x,y,z;mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,-z;mx,my,mz) (x,-y,z;mx,-my,mz) 2n (x,1/2,z;mx,0,mz) (-x,1/2,-z;mx,0,mz) 2m (x,0,z;mx,0,mz) (-x,0,-z;mx,0,mz) 2l (1/2,y,1/2;mx,0,mz) (1/2,-y,1/2;mx,0,mz) 2k (0,y,1/2;mx,0,mz) (0,-y,1/2;mx,0,mz) 2j (1/2,y,0;mx,0,mz) (1/2,-y,0;mx,0,mz) 2i (0,y,0;mx,0,mz) (0,-y,0;mx,0,mz) 1h (1/2,1/2,1/2;mx,0,mz) 1g (1/2,0,1/2;mx,0,mz) 1f (0,1/2,1/2;mx,0,mz) 1e (1/2,1/2,0;mx,0,mz) 1d (1/2,0,0;mx,0,mz) 1c (0,0,1/2;mx,0,mz) 1b (0,1/2,0;mx,0,mz) 1a (0,0,0;mx,0,mz) ---------- UNI: 10.47 P2/m.1'_a[P2/m] BNS: 10.47 P_a2/m OG: 10.6.54 P_2a2/m OG-BNS transformation: (0,0,0;2a,b,c) Operators (BNS): (1|0,0,0) (2y|0,0,0) (-1|0,0,0) (my|0,0,0) (1|1/2,0,0)' (2y|1/2,0,0)' (-1|1/2,0,0)' (my|1/2,0,0)' Wyckoff positions (BNS): 8o (x,y,z;mx,my,mz) (-x,y,-z;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x,-y,z;-mx,my,-mz) (x+1/2,y,z;-mx,-my,-mz) (-x+1/2,y,-z;mx,-my,mz) (-x+1/2,-y,-z;-mx,-my,-mz) (x+1/2,-y,z;mx,-my,mz) 4n (x,1/2,z;0,my,0) (-x,1/2,-z;0,my,0) (x+1/2,1/2,z;0,-my,0) (-x+1/2,1/2,-z;0,-my,0) 4m (x,0,z;0,my,0) (-x,0,-z;0,my,0) (x+1/2,0,z;0,-my,0) (-x+1/2,0,-z;0,-my,0) 4l (1/4,y,1/2;mx,0,mz) (3/4,y,1/2;-mx,0,-mz) (3/4,-y,1/2;mx,0,mz) (1/4,-y,1/2;-mx,0,-mz) 4k (0,y,1/2;0,my,0) (0,-y,1/2;0,my,0) (1/2,y,1/2;0,-my,0) (1/2,-y,1/2;0,-my,0) 4j (1/4,y,0;mx,0,mz) (3/4,y,0;-mx,0,-mz) (3/4,-y,0;mx,0,mz) (1/4,-y,0;-mx,0,-mz) 4i (0,y,0;0,my,0) (0,-y,0;0,my,0) (1/2,y,0;0,-my,0) (1/2,-y,0;0,-my,0) 2h (1/4,1/2,1/2;0,0,0) (3/4,1/2,1/2;0,0,0) 2g (1/4,0,1/2;0,0,0) (3/4,0,1/2;0,0,0) 2f (0,1/2,1/2;0,my,0) (1/2,1/2,1/2;0,-my,0) 2e (1/4,1/2,0;0,0,0) (3/4,1/2,0;0,0,0) 2d (1/4,0,0;0,0,0) (3/4,0,0;0,0,0) 2c (0,0,1/2;0,my,0) (1/2,0,1/2;0,-my,0) 2b (0,1/2,0;0,my,0) (1/2,1/2,0;0,-my,0) 2a (0,0,0;0,my,0) (1/2,0,0;0,-my,0) Operators (OG): (1|0,0,0) (2y|0,0,0) (-1|0,0,0) (my|0,0,0) (1|1,0,0)' (2y|1,0,0)' (-1|1,0,0)' (my|1,0,0)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,1,0)+ (0,0,1)+ 8o (x,y,z;mx,my,mz) (-x,y,-z;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x,-y,z;-mx,my,-mz) (x+1,y,z;-mx,-my,-mz) (-x+1,y,-z;mx,-my,mz) (-x+1,-y,-z;-mx,-my,-mz) (x+1,-y,z;mx,-my,mz) 4n (x,1/2,z;0,my,0) (-x,1/2,-z;0,my,0) (x+1,1/2,z;0,-my,0) (-x+1,1/2,-z;0,-my,0) 4m (x,0,z;0,my,0) (-x,0,-z;0,my,0) (x+1,0,z;0,-my,0) (-x+1,0,-z;0,-my,0) 4l (1/2,y,1/2;mx,0,mz) (-1/2,y,-1/2;-mx,0,-mz) (-1/2,-y,-1/2;mx,0,mz) (1/2,-y,1/2;-mx,0,-mz) 4k (0,y,1/2;0,my,0) (0,-y,-1/2;0,my,0) (1,y,1/2;0,-my,0) (1,-y,-1/2;0,-my,0) 4j (1/2,y,0;mx,0,mz) (-1/2,y,0;-mx,0,-mz) (-1/2,-y,0;mx,0,mz) (1/2,-y,0;-mx,0,-mz) 4i (0,y,0;0,my,0) (0,-y,0;0,my,0) (1,y,0;0,-my,0) (1,-y,0;0,-my,0) 2h (1/2,1/2,1/2;0,0,0) (-1/2,1/2,-1/2;0,0,0) 2g (1/2,0,1/2;0,0,0) (-1/2,0,-1/2;0,0,0) 2f (0,1/2,1/2;0,my,0) (1,1/2,1/2;0,-my,0) 2e (1/2,1/2,0;0,0,0) (-1/2,1/2,0;0,0,0) 2d (1/2,0,0;0,0,0) (-1/2,0,0;0,0,0) 2c (0,0,1/2;0,my,0) (1,0,1/2;0,-my,0) 2b (0,1/2,0;0,my,0) (1,1/2,0;0,-my,0) 2a (0,0,0;0,my,0) (1,0,0;0,-my,0) ---------- UNI: 10.48 P2/m.1'_b[P2/m] BNS: 10.48 P_b2/m OG: 10.7.55 P_2b2/m OG-BNS transformation: (0,0,0;a,2b,c) Operators (BNS): (1|0,0,0) (2y|0,0,0) (-1|0,0,0) (my|0,0,0) (1|0,1/2,0)' (2y|0,1/2,0)' (-1|0,1/2,0)' (my|0,1/2,0)' Wyckoff positions (BNS): 8o (x,y,z;mx,my,mz) (-x,y,-z;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x,-y,z;-mx,my,-mz) (x,y+1/2,z;-mx,-my,-mz) (-x,y+1/2,-z;mx,-my,mz) (-x,-y+1/2,-z;-mx,-my,-mz) (x,-y+1/2,z;mx,-my,mz) 4n (x,1/4,z;mx,0,mz) (-x,1/4,-z;-mx,0,-mz) (-x,3/4,-z;mx,0,mz) (x,3/4,z;-mx,0,-mz) 4m (x,0,z;0,my,0) (-x,0,-z;0,my,0) (x,1/2,z;0,-my,0) (-x,1/2,-z;0,-my,0) 4l (1/2,y,1/2;0,my,0) (1/2,-y,1/2;0,my,0) (1/2,y+1/2,1/2;0,-my,0) (1/2,-y+1/2,1/2;0,-my,0) 4k (0,y,1/2;0,my,0) (0,-y,1/2;0,my,0) (0,y+1/2,1/2;0,-my,0) (0,-y+1/2,1/2;0,-my,0) 4j (1/2,y,0;0,my,0) (1/2,-y,0;0,my,0) (1/2,y+1/2,0;0,-my,0) (1/2,-y+1/2,0;0,-my,0) 4i (0,y,0;0,my,0) (0,-y,0;0,my,0) (0,y+1/2,0;0,-my,0) (0,-y+1/2,0;0,-my,0) 2h (1/2,1/4,1/2;0,0,0) (1/2,3/4,1/2;0,0,0) 2g (1/2,0,1/2;0,my,0) (1/2,1/2,1/2;0,-my,0) 2f (0,1/4,1/2;0,0,0) (0,3/4,1/2;0,0,0) 2e (1/2,1/4,0;0,0,0) (1/2,3/4,0;0,0,0) 2d (1/2,0,0;0,my,0) (1/2,1/2,0;0,-my,0) 2c (0,0,1/2;0,my,0) (0,1/2,1/2;0,-my,0) 2b (0,1/4,0;0,0,0) (0,3/4,0;0,0,0) 2a (0,0,0;0,my,0) (0,1/2,0;0,-my,0) Operators (OG): (1|0,0,0) (2y|0,0,0) (-1|0,0,0) (my|0,0,0) (1|0,1,0)' (2y|0,1,0)' (-1|0,1,0)' (my|0,1,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,2,0)+ (0,0,1)+ 8o (x,y,z;mx,my,mz) (-x,y,-z;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x,-y,z;-mx,my,-mz) (x,y+1,z;-mx,-my,-mz) (-x,y+1,-z;mx,-my,mz) (-x,-y+1,-z;-mx,-my,-mz) (x,-y+1,z;mx,-my,mz) 4n (x,1/2,z;mx,0,mz) (-x,1/2,-z;-mx,0,-mz) (-x,-1/2,-z;mx,0,mz) (x,-1/2,z;-mx,0,-mz) 4m (x,0,z;0,my,0) (-x,0,-z;0,my,0) (x,1,z;0,-my,0) (-x,1,-z;0,-my,0) 4l (1/2,y,1/2;0,my,0) (-1/2,-y,-1/2;0,my,0) (1/2,y+1,1/2;0,-my,0) (-1/2,-y+1,-1/2;0,-my,0) 4k (0,y,1/2;0,my,0) (0,-y,-1/2;0,my,0) (0,y+1,1/2;0,-my,0) (0,-y+1,-1/2;0,-my,0) 4j (1/2,y,0;0,my,0) (-1/2,-y,0;0,my,0) (1/2,y+1,0;0,-my,0) (-1/2,-y+1,0;0,-my,0) 4i (0,y,0;0,my,0) (0,-y,0;0,my,0) (0,y+1,0;0,-my,0) (0,-y+1,0;0,-my,0) 2h (1/2,1/2,1/2;0,0,0) (-1/2,-1/2,-1/2;0,0,0) 2g (1/2,0,1/2;0,my,0) (1/2,1,1/2;0,-my,0) 2f (0,1/2,1/2;0,0,0) (0,-1/2,-1/2;0,0,0) 2e (1/2,1/2,0;0,0,0) (-1/2,-1/2,0;0,0,0) 2d (1/2,0,0;0,my,0) (1/2,1,0;0,-my,0) 2c (0,0,1/2;0,my,0) (0,1,1/2;0,-my,0) 2b (0,1/2,0;0,0,0) (0,-1/2,0;0,0,0) 2a (0,0,0;0,my,0) (0,1,0;0,-my,0) ---------- UNI: 10.49 P2/m.1'_C[C2/m] BNS: 10.49 P_C2/m OG: 12.7.72 C_P2/m OG-BNS transformation: (0,0,0;a,b,c) Operators (BNS): (1|0,0,0) (2y|0,0,0) (-1|0,0,0) (my|0,0,0) (1|1/2,1/2,0)' (2y|1/2,1/2,0)' (-1|1/2,1/2,0)' (my|1/2,1/2,0)' Wyckoff positions (BNS): 8j (x,y,z;mx,my,mz) (-x,y,-z;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x,-y,z;-mx,my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x+1/2,y+1/2,-z;mx,-my,mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (x+1/2,-y+1/2,z;mx,-my,mz) 4i (x,0,z;0,my,0) (-x,0,-z;0,my,0) (x+1/2,1/2,z;0,-my,0) (-x+1/2,1/2,-z;0,-my,0) 4h (0,y,1/2;0,my,0) (0,-y,1/2;0,my,0) (1/2,y+1/2,1/2;0,-my,0) (1/2,-y+1/2,1/2;0,-my,0) 4g (0,y,0;0,my,0) (0,-y,0;0,my,0) (1/2,y+1/2,0;0,-my,0) (1/2,-y+1/2,0;0,-my,0) 4f (1/4,1/4,1/2;0,0,0) (3/4,1/4,1/2;0,0,0) (3/4,3/4,1/2;0,0,0) (1/4,3/4,1/2;0,0,0) 4e (1/4,1/4,0;0,0,0) (3/4,1/4,0;0,0,0) (3/4,3/4,0;0,0,0) (1/4,3/4,0;0,0,0) 2d (0,1/2,1/2;0,my,0) (1/2,0,1/2;0,-my,0) 2c (0,0,1/2;0,my,0) (1/2,1/2,1/2;0,-my,0) 2b (0,1/2,0;0,my,0) (1/2,0,0;0,-my,0) 2a (0,0,0;0,my,0) (1/2,1/2,0;0,-my,0) Operators (OG): (1|0,0,0) (2y|0,0,0) (-1|0,0,0) (my|0,0,0) (1|1/2,1/2,0)' (2y|1/2,1/2,0)' (-1|1/2,1/2,0)' (my|1/2,1/2,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8j (x,y,z;mx,my,mz) (-x,y,-z;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x,-y,z;-mx,my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x+1/2,y+1/2,-z;mx,-my,mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (x+1/2,-y+1/2,z;mx,-my,mz) 4i (x,0,z;0,my,0) (-x,0,-z;0,my,0) (x+1/2,1/2,z;0,-my,0) (-x+1/2,1/2,-z;0,-my,0) 4h (0,y,1/2;0,my,0) (0,-y,-1/2;0,my,0) (1/2,y+1/2,1/2;0,-my,0) (1/2,-y+1/2,-1/2;0,-my,0) 4g (0,y,0;0,my,0) (0,-y,0;0,my,0) (1/2,y+1/2,0;0,-my,0) (1/2,-y+1/2,0;0,-my,0) 4f (1/4,1/4,1/2;0,0,0) (-1/4,1/4,-1/2;0,0,0) (-1/4,-1/4,-1/2;0,0,0) (1/4,-1/4,1/2;0,0,0) 4e (1/4,1/4,0;0,0,0) (-1/4,1/4,0;0,0,0) (-1/4,-1/4,0;0,0,0) (1/4,-1/4,0;0,0,0) 2d (0,1/2,1/2;0,my,0) (1/2,1,1/2;0,-my,0) 2c (0,0,1/2;0,my,0) (1/2,1/2,1/2;0,-my,0) 2b (0,1/2,0;0,my,0) (1/2,1,0;0,-my,0) 2a (0,0,0;0,my,0) (1/2,1/2,0;0,-my,0) ---------- UNI: 11.50 P2_1/m.1 BNS: 11.50 P2_1/m OG: 11.1.59 P2_1/m Operators: (1|0,0,0) (2y|0,1/2,0) (-1|0,0,0) (my|0,1/2,0) Wyckoff positions: 4f (x,y,z;mx,my,mz) (-x,y+1/2,-z;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x,-y+1/2,z;-mx,my,-mz) 2e (x,1/4,z;0,my,0) (-x,3/4,-z;0,my,0) 2d (1/2,0,1/2;mx,my,mz) (1/2,1/2,1/2;-mx,my,-mz) 2c (0,0,1/2;mx,my,mz) (0,1/2,1/2;-mx,my,-mz) 2b (1/2,0,0;mx,my,mz) (1/2,1/2,0;-mx,my,-mz) 2a (0,0,0;mx,my,mz) (0,1/2,0;-mx,my,-mz) ---------- UNI: 11.51 P2_1/m.1' BNS: 11.51 P2_1/m1' OG: 11.2.60 P2_1/m1' Operators: (1|0,0,0) (2y|0,1/2,0) (-1|0,0,0) (my|0,1/2,0) (1|0,0,0)' (2y|0,1/2,0)' (-1|0,0,0)' (my|0,1/2,0)' Wyckoff positions: 4f (x,y,z;0,0,0) (-x,y+1/2,-z;0,0,0) (-x,-y,-z;0,0,0) (x,-y+1/2,z;0,0,0) 2e (x,1/4,z;0,0,0) (-x,3/4,-z;0,0,0) 2d (1/2,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 2c (0,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) 2b (1/2,0,0;0,0,0) (1/2,1/2,0;0,0,0) 2a (0,0,0;0,0,0) (0,1/2,0;0,0,0) ---------- UNI: 11.52 P2_1'/m BNS: 11.52 P2_1'/m OG: 11.3.61 P2_1'/m Operators: (1|0,0,0) (2y|0,1/2,0)' (-1|0,0,0)' (my|0,1/2,0) Wyckoff positions: 4f (x,y,z;mx,my,mz) (-x,y+1/2,-z;mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (x,-y+1/2,z;-mx,my,-mz) 2e (x,1/4,z;0,my,0) (-x,3/4,-z;0,-my,0) 2d (1/2,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 2c (0,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) 2b (1/2,0,0;0,0,0) (1/2,1/2,0;0,0,0) 2a (0,0,0;0,0,0) (0,1/2,0;0,0,0) ---------- UNI: 11.53 P2_1/m' BNS: 11.53 P2_1/m' OG: 11.4.62 P2_1/m' Operators: (1|0,0,0) (2y|0,1/2,0) (-1|0,0,0)' (my|0,1/2,0)' Wyckoff positions: 4f (x,y,z;mx,my,mz) (-x,y+1/2,-z;-mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (x,-y+1/2,z;mx,-my,mz) 2e (x,1/4,z;mx,0,mz) (-x,3/4,-z;-mx,0,-mz) 2d (1/2,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 2c (0,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) 2b (1/2,0,0;0,0,0) (1/2,1/2,0;0,0,0) 2a (0,0,0;0,0,0) (0,1/2,0;0,0,0) ---------- UNI: 11.54 P2_1'/m' BNS: 11.54 P2_1'/m' OG: 11.5.63 P2_1'/m' Operators: (1|0,0,0) (2y|0,1/2,0)' (-1|0,0,0) (my|0,1/2,0)' Wyckoff positions: 4f (x,y,z;mx,my,mz) (-x,y+1/2,-z;mx,-my,mz) (-x,-y,-z;mx,my,mz) (x,-y+1/2,z;mx,-my,mz) 2e (x,1/4,z;mx,0,mz) (-x,3/4,-z;mx,0,mz) 2d (1/2,0,1/2;mx,my,mz) (1/2,1/2,1/2;mx,-my,mz) 2c (0,0,1/2;mx,my,mz) (0,1/2,1/2;mx,-my,mz) 2b (1/2,0,0;mx,my,mz) (1/2,1/2,0;mx,-my,mz) 2a (0,0,0;mx,my,mz) (0,1/2,0;mx,-my,mz) ---------- UNI: 11.55 P2_1/m.1'_a[P2_1/m] BNS: 11.55 P_a2_1/m OG: 11.6.64 P_2a2_1/m OG-BNS transformation: (0,0,0;2a,b,c) Operators (BNS): (1|0,0,0) (2y|0,1/2,0) (-1|0,0,0) (my|0,1/2,0) (1|1/2,0,0)' (2y|1/2,1/2,0)' (-1|1/2,0,0)' (my|1/2,1/2,0)' Wyckoff positions (BNS): 8f (x,y,z;mx,my,mz) (-x,y+1/2,-z;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x,-y+1/2,z;-mx,my,-mz) (x+1/2,y,z;-mx,-my,-mz) (-x+1/2,y+1/2,-z;mx,-my,mz) (-x+1/2,-y,-z;-mx,-my,-mz) (x+1/2,-y+1/2,z;mx,-my,mz) 4e (x,1/4,z;0,my,0) (-x,3/4,-z;0,my,0) (x+1/2,1/4,z;0,-my,0) (-x+1/2,3/4,-z;0,-my,0) 4d (1/4,0,1/2;0,0,0) (3/4,1/2,1/2;0,0,0) (3/4,0,1/2;0,0,0) (1/4,1/2,1/2;0,0,0) 4c (0,0,1/2;mx,my,mz) (0,1/2,1/2;-mx,my,-mz) (1/2,0,1/2;-mx,-my,-mz) (1/2,1/2,1/2;mx,-my,mz) 4b (1/4,0,0;0,0,0) (3/4,1/2,0;0,0,0) (3/4,0,0;0,0,0) (1/4,1/2,0;0,0,0) 4a (0,0,0;mx,my,mz) (0,1/2,0;-mx,my,-mz) (1/2,0,0;-mx,-my,-mz) (1/2,1/2,0;mx,-my,mz) Operators (OG): (1|0,0,0) (2y|0,1/2,0) (-1|0,0,0) (my|0,1/2,0) (1|1,0,0)' (2y|1,1/2,0)' (-1|1,0,0)' (my|1,1/2,0)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,1,0)+ (0,0,1)+ 8f (x,y,z;mx,my,mz) (-x,y+1/2,-z;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x,-y+1/2,z;-mx,my,-mz) (x+1,y,z;-mx,-my,-mz) (-x+1,y+1/2,-z;mx,-my,mz) (-x+1,-y,-z;-mx,-my,-mz) (x+1,-y+1/2,z;mx,-my,mz) 4e (x,1/4,z;0,my,0) (-x,3/4,-z;0,my,0) (x+1,1/4,z;0,-my,0) (-x+1,3/4,-z;0,-my,0) 4d (1/2,0,1/2;0,0,0) (-1/2,1/2,-1/2;0,0,0) (-1/2,0,-1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 4c (0,0,1/2;mx,my,mz) (0,1/2,-1/2;-mx,my,-mz) (1,0,1/2;-mx,-my,-mz) (1,1/2,-1/2;mx,-my,mz) 4b (1/2,0,0;0,0,0) (-1/2,1/2,0;0,0,0) (-1/2,0,0;0,0,0) (1/2,1/2,0;0,0,0) 4a (0,0,0;mx,my,mz) (0,1/2,0;-mx,my,-mz) (1,0,0;-mx,-my,-mz) (1,1/2,0;mx,-my,mz) ---------- UNI: 11.56 P2_1/m.1'_b[P2/m] BNS: 11.56 P_b2_1/m OG: 10.9.57 P_2b2'/m OG-BNS transformation: (0,1/2,0;a,2b,c) Operators (BNS): (1|0,0,0) (2y|0,1/2,0) (-1|0,0,0) (my|0,1/2,0) (1|0,1/2,0)' (2y|0,0,0)' (-1|0,1/2,0)' (my|0,0,0)' Wyckoff positions (BNS): 8o (x,y,z;mx,my,mz) (-x,y+1/2,-z;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x,-y+1/2,z;-mx,my,-mz) (x,y+1/2,z;-mx,-my,-mz) (-x,y,-z;mx,-my,mz) (-x,-y+1/2,-z;-mx,-my,-mz) (x,-y,z;mx,-my,mz) 4n (x,0,z;mx,0,mz) (-x,1/2,-z;-mx,0,-mz) (-x,0,-z;mx,0,mz) (x,1/2,z;-mx,0,-mz) 4m (x,3/4,z;0,my,0) (-x,1/4,-z;0,my,0) (x,1/4,z;0,-my,0) (-x,3/4,-z;0,-my,0) 4l (1/2,y,1/2;mx,0,mz) (1/2,y+1/2,1/2;-mx,0,-mz) (1/2,-y,1/2;mx,0,mz) (1/2,-y+1/2,1/2;-mx,0,-mz) 4k (0,y,1/2;mx,0,mz) (0,y+1/2,1/2;-mx,0,-mz) (0,-y,1/2;mx,0,mz) (0,-y+1/2,1/2;-mx,0,-mz) 4j (1/2,y,0;mx,0,mz) (1/2,y+1/2,0;-mx,0,-mz) (1/2,-y,0;mx,0,mz) (1/2,-y+1/2,0;-mx,0,-mz) 4i (0,y,0;mx,0,mz) (0,y+1/2,0;-mx,0,-mz) (0,-y,0;mx,0,mz) (0,-y+1/2,0;-mx,0,-mz) 2h (1/2,0,1/2;mx,0,mz) (1/2,1/2,1/2;-mx,0,-mz) 2g (1/2,3/4,1/2;0,0,0) (1/2,1/4,1/2;0,0,0) 2f (0,0,1/2;mx,0,mz) (0,1/2,1/2;-mx,0,-mz) 2e (1/2,0,0;mx,0,mz) (1/2,1/2,0;-mx,0,-mz) 2d (1/2,3/4,0;0,0,0) (1/2,1/4,0;0,0,0) 2c (0,3/4,1/2;0,0,0) (0,1/4,1/2;0,0,0) 2b (0,0,0;mx,0,mz) (0,1/2,0;-mx,0,-mz) 2a (0,3/4,0;0,0,0) (0,1/4,0;0,0,0) Operators (OG): (1|0,0,0) (2y|0,1,0) (-1|0,1,0) (my|0,0,0) (1|0,1,0)' (2y|0,0,0)' (-1|0,0,0)' (my|0,1,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,2,0)+ (0,0,1)+ 8o (x,y,z;mx,my,mz) (-x,y+1,-z;-mx,my,-mz) (-x,-y+1,-z;mx,my,mz) (x,-y,z;-mx,my,-mz) (x,y+1,z;-mx,-my,-mz) (-x,y,-z;mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (x,-y+1,z;mx,-my,mz) 4n (x,1/2,z;mx,0,mz) (-x,3/2,-z;-mx,0,-mz) (-x,1/2,-z;mx,0,mz) (x,-1/2,z;-mx,0,-mz) 4m (x,0,z;0,my,0) (-x,1,-z;0,my,0) (x,1,z;0,-my,0) (-x,0,-z;0,-my,0) 4l (1/2,y,1/2;mx,0,mz) (-1/2,y+1,-1/2;-mx,0,-mz) (-1/2,-y+1,-1/2;mx,0,mz) (1/2,-y,1/2;-mx,0,-mz) 4k (0,y,1/2;mx,0,mz) (0,y+1,-1/2;-mx,0,-mz) (0,-y+1,-1/2;mx,0,mz) (0,-y,1/2;-mx,0,-mz) 4j (1/2,y,0;mx,0,mz) (-1/2,y+1,0;-mx,0,-mz) (-1/2,-y+1,0;mx,0,mz) (1/2,-y,0;-mx,0,-mz) 4i (0,y,0;mx,0,mz) (0,y+1,0;-mx,0,-mz) (0,-y+1,0;mx,0,mz) (0,-y,0;-mx,0,-mz) 2h (1/2,1/2,1/2;mx,0,mz) (-1/2,3/2,-1/2;-mx,0,-mz) 2g (1/2,0,1/2;0,0,0) (-1/2,1,-1/2;0,0,0) 2f (0,1/2,1/2;mx,0,mz) (0,3/2,-1/2;-mx,0,-mz) 2e (1/2,1/2,0;mx,0,mz) (-1/2,3/2,0;-mx,0,-mz) 2d (1/2,0,0;0,0,0) (-1/2,1,0;0,0,0) 2c (0,0,1/2;0,0,0) (0,1,-1/2;0,0,0) 2b (0,1/2,0;mx,0,mz) (0,3/2,0;-mx,0,-mz) 2a (0,0,0;0,0,0) (0,1,0;0,0,0) ---------- UNI: 11.57 P2_1/m.1'_C[C2/m] BNS: 11.57 P_C2_1/m OG: 12.9.74 C_P2'/m OG-BNS transformation: (1/4,1/4,0;a,b,c) Operators (BNS): (1|0,0,0) (2y|0,1/2,0) (-1|0,0,0) (my|0,1/2,0) (1|1/2,1/2,0)' (2y|1/2,0,0)' (-1|1/2,1/2,0)' (my|1/2,0,0)' Wyckoff positions (BNS): 8j (x,y,z;mx,my,mz) (-x,y+1/2,-z;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x,-y+1/2,z;-mx,my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x+1/2,y,-z;mx,-my,mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (x+1/2,-y,z;mx,-my,mz) 4i (x,3/4,z;0,my,0) (-x,1/4,-z;0,my,0) (x+1/2,1/4,z;0,-my,0) (-x+1/2,3/4,-z;0,-my,0) 4h (3/4,y,1/2;mx,0,mz) (1/4,y+1/2,1/2;-mx,0,-mz) (1/4,-y,1/2;mx,0,mz) (3/4,-y+1/2,1/2;-mx,0,-mz) 4g (3/4,y,0;mx,0,mz) (1/4,y+1/2,0;-mx,0,-mz) (1/4,-y,0;mx,0,mz) (3/4,-y+1/2,0;-mx,0,-mz) 4f (0,0,1/2;mx,my,mz) (0,1/2,1/2;-mx,my,-mz) (1/2,1/2,1/2;-mx,-my,-mz) (1/2,0,1/2;mx,-my,mz) 4e (0,0,0;mx,my,mz) (0,1/2,0;-mx,my,-mz) (1/2,1/2,0;-mx,-my,-mz) (1/2,0,0;mx,-my,mz) 2d (3/4,1/4,1/2;0,0,0) (1/4,3/4,1/2;0,0,0) 2c (3/4,3/4,1/2;0,0,0) (1/4,1/4,1/2;0,0,0) 2b (3/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) 2a (3/4,3/4,0;0,0,0) (1/4,1/4,0;0,0,0) Operators (OG): (1|0,0,0) (2y|1/2,1/2,0) (-1|1/2,1/2,0) (my|0,0,0) (1|1/2,1/2,0)' (2y|0,0,0)' (-1|0,0,0)' (my|1/2,1/2,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8j (x,y,z;mx,my,mz) (-x+1/2,y+1/2,-z;-mx,my,-mz) (-x+1/2,-y+1/2,-z;mx,my,mz) (x,-y,z;-mx,my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x,y,-z;mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (x+1/2,-y+1/2,z;mx,-my,mz) 4i (x,0,z;0,my,0) (-x+1/2,1/2,-z;0,my,0) (x+1/2,1/2,z;0,-my,0) (-x,0,-z;0,-my,0) 4h (0,y,1/2;mx,0,mz) (1/2,y+1/2,-1/2;-mx,0,-mz) (1/2,-y+1/2,-1/2;mx,0,mz) (0,-y,1/2;-mx,0,-mz) 4g (0,y,0;mx,0,mz) (1/2,y+1/2,0;-mx,0,-mz) (1/2,-y+1/2,0;mx,0,mz) (0,-y,0;-mx,0,-mz) 4f (1/4,1/4,1/2;mx,my,mz) (1/4,3/4,-1/2;-mx,my,-mz) (3/4,3/4,1/2;-mx,-my,-mz) (-1/4,1/4,-1/2;mx,-my,mz) 4e (1/4,1/4,0;mx,my,mz) (1/4,3/4,0;-mx,my,-mz) (3/4,3/4,0;-mx,-my,-mz) (-1/4,1/4,0;mx,-my,mz) 2d (0,1/2,1/2;0,0,0) (1/2,1,-1/2;0,0,0) 2c (0,0,1/2;0,0,0) (1/2,1/2,-1/2;0,0,0) 2b (0,1/2,0;0,0,0) (1/2,1,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,0;0,0,0) ---------- UNI: 12.58 C2/m.1 BNS: 12.58 C2/m OG: 12.1.66 C2/m Operators: (1|0,0,0) (2y|0,0,0) (-1|0,0,0) (my|0,0,0) Wyckoff positions: (0,0,0)+ (1/2,1/2,0)+ 8j (x,y,z;mx,my,mz) (-x,y,-z;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x,-y,z;-mx,my,-mz) 4i (x,0,z;0,my,0) (-x,0,-z;0,my,0) 4h (0,y,1/2;0,my,0) (0,-y,1/2;0,my,0) 4g (0,y,0;0,my,0) (0,-y,0;0,my,0) 4f (1/4,1/4,1/2;mx,my,mz) (3/4,1/4,1/2;-mx,my,-mz) 4e (1/4,1/4,0;mx,my,mz) (3/4,1/4,0;-mx,my,-mz) 2d (0,1/2,1/2;0,my,0) 2c (0,0,1/2;0,my,0) 2b (0,1/2,0;0,my,0) 2a (0,0,0;0,my,0) ---------- UNI: 12.59 C2/m.1' BNS: 12.59 C2/m1' OG: 12.2.67 C2/m1' Operators: (1|0,0,0) (2y|0,0,0) (-1|0,0,0) (my|0,0,0) (1|0,0,0)' (2y|0,0,0)' (-1|0,0,0)' (my|0,0,0)' Wyckoff positions: (0,0,0)+ (1/2,1/2,0)+ 8j (x,y,z;0,0,0) (-x,y,-z;0,0,0) (-x,-y,-z;0,0,0) (x,-y,z;0,0,0) 4i (x,0,z;0,0,0) (-x,0,-z;0,0,0) 4h (0,y,1/2;0,0,0) (0,-y,1/2;0,0,0) 4g (0,y,0;0,0,0) (0,-y,0;0,0,0) 4f (1/4,1/4,1/2;0,0,0) (3/4,1/4,1/2;0,0,0) 4e (1/4,1/4,0;0,0,0) (3/4,1/4,0;0,0,0) 2d (0,1/2,1/2;0,0,0) 2c (0,0,1/2;0,0,0) 2b (0,1/2,0;0,0,0) 2a (0,0,0;0,0,0) ---------- UNI: 12.60 C2'/m BNS: 12.60 C2'/m OG: 12.3.68 C2'/m Operators: (1|0,0,0) (2y|0,0,0)' (-1|0,0,0)' (my|0,0,0) Wyckoff positions: (0,0,0)+ (1/2,1/2,0)+ 8j (x,y,z;mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (x,-y,z;-mx,my,-mz) 4i (x,0,z;0,my,0) (-x,0,-z;0,-my,0) 4h (0,y,1/2;mx,0,mz) (0,-y,1/2;-mx,0,-mz) 4g (0,y,0;mx,0,mz) (0,-y,0;-mx,0,-mz) 4f (1/4,1/4,1/2;0,0,0) (1/4,3/4,1/2;0,0,0) 4e (1/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) 2d (0,1/2,1/2;0,0,0) 2c (0,0,1/2;0,0,0) 2b (0,1/2,0;0,0,0) 2a (0,0,0;0,0,0) ---------- UNI: 12.61 C2/m' BNS: 12.61 C2/m' OG: 12.4.69 C2/m' Operators: (1|0,0,0) (2y|0,0,0) (-1|0,0,0)' (my|0,0,0)' Wyckoff positions: (0,0,0)+ (1/2,1/2,0)+ 8j (x,y,z;mx,my,mz) (-x,y,-z;-mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (x,-y,z;mx,-my,mz) 4i (x,0,z;mx,0,mz) (-x,0,-z;-mx,0,-mz) 4h (0,y,1/2;0,my,0) (0,-y,1/2;0,-my,0) 4g (0,y,0;0,my,0) (0,-y,0;0,-my,0) 4f (1/4,1/4,1/2;0,0,0) (3/4,1/4,1/2;0,0,0) 4e (1/4,1/4,0;0,0,0) (3/4,1/4,0;0,0,0) 2d (0,1/2,1/2;0,0,0) 2c (0,0,1/2;0,0,0) 2b (0,1/2,0;0,0,0) 2a (0,0,0;0,0,0) ---------- UNI: 12.62 C2'/m' BNS: 12.62 C2'/m' OG: 12.5.70 C2'/m' Operators: (1|0,0,0) (2y|0,0,0)' (-1|0,0,0) (my|0,0,0)' Wyckoff positions: (0,0,0)+ (1/2,1/2,0)+ 8j (x,y,z;mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,-z;mx,my,mz) (x,-y,z;mx,-my,mz) 4i (x,0,z;mx,0,mz) (-x,0,-z;mx,0,mz) 4h (0,y,1/2;mx,0,mz) (0,-y,1/2;mx,0,mz) 4g (0,y,0;mx,0,mz) (0,-y,0;mx,0,mz) 4f (1/4,1/4,1/2;mx,my,mz) (3/4,1/4,1/2;mx,-my,mz) 4e (1/4,1/4,0;mx,my,mz) (3/4,1/4,0;mx,-my,mz) 2d (0,1/2,1/2;mx,0,mz) 2c (0,0,1/2;mx,0,mz) 2b (0,1/2,0;mx,0,mz) 2a (0,0,0;mx,0,mz) ---------- UNI: 12.63 C2/m.1'_c[C2/m] BNS: 12.63 C_c2/m OG: 12.6.71 C_2c2/m OG-BNS transformation: (0,0,0;a,b,2c) Operators (BNS): (1|0,0,0) (2y|0,0,0) (-1|0,0,0) (my|0,0,0) (1|0,0,1/2)' (2y|0,0,1/2)' (-1|0,0,1/2)' (my|0,0,1/2)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,0)+ 16j (x,y,z;mx,my,mz) (-x,y,-z;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x,-y,z;-mx,my,-mz) (x,y,z+1/2;-mx,-my,-mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,-z+1/2;-mx,-my,-mz) (x,-y,z+1/2;mx,-my,mz) 8i (x,0,z;0,my,0) (-x,0,-z;0,my,0) (x,0,z+1/2;0,-my,0) (-x,0,-z+1/2;0,-my,0) 8h (0,y,1/4;mx,0,mz) (0,y,3/4;-mx,0,-mz) (0,-y,3/4;mx,0,mz) (0,-y,1/4;-mx,0,-mz) 8g (0,y,0;0,my,0) (0,-y,0;0,my,0) (0,y,1/2;0,-my,0) (0,-y,1/2;0,-my,0) 8f (1/4,1/4,1/4;0,0,0) (3/4,1/4,3/4;0,0,0) (3/4,3/4,3/4;0,0,0) (1/4,3/4,1/4;0,0,0) 8e (1/4,1/4,0;mx,my,mz) (3/4,1/4,0;-mx,my,-mz) (1/4,1/4,1/2;-mx,-my,-mz) (3/4,1/4,1/2;mx,-my,mz) 4d (0,1/2,1/4;0,0,0) (0,1/2,3/4;0,0,0) 4c (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 4b (0,1/2,0;0,my,0) (0,1/2,1/2;0,-my,0) 4a (0,0,0;0,my,0) (0,0,1/2;0,-my,0) Operators (OG): (1|0,0,0) (2y|0,0,0) (-1|0,0,0) (my|0,0,0) (1|0,0,1)' (2y|0,0,1)' (-1|0,0,1)' (my|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ (1/2,1/2,0)+ 16j (x,y,z;mx,my,mz) (-x,y,-z;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x,-y,z;-mx,my,-mz) (x,y,z+1;-mx,-my,-mz) (-x,y,-z+1;mx,-my,mz) (-x,-y,-z+1;-mx,-my,-mz) (x,-y,z+1;mx,-my,mz) 8i (x,0,z;0,my,0) (-x,0,-z;0,my,0) (x,0,z+1;0,-my,0) (-x,0,-z+1;0,-my,0) 8h (0,y,1/2;mx,0,mz) (0,y,-1/2;-mx,0,-mz) (0,-y,-1/2;mx,0,mz) (0,-y,1/2;-mx,0,-mz) 8g (0,y,0;0,my,0) (0,-y,0;0,my,0) (0,y,1;0,-my,0) (0,-y,1;0,-my,0) 8f (1/4,1/4,1/2;0,0,0) (-1/4,1/4,-1/2;0,0,0) (-1/4,-1/4,-1/2;0,0,0) (1/4,-1/4,1/2;0,0,0) 8e (1/4,1/4,0;mx,my,mz) (-1/4,1/4,0;-mx,my,-mz) (1/4,1/4,1;-mx,-my,-mz) (-1/4,1/4,1;mx,-my,mz) 4d (0,1/2,1/2;0,0,0) (0,1/2,-1/2;0,0,0) 4c (0,0,1/2;0,0,0) (0,0,-1/2;0,0,0) 4b (0,1/2,0;0,my,0) (0,1/2,1;0,-my,0) 4a (0,0,0;0,my,0) (0,0,1;0,-my,0) ---------- UNI: 12.64 C2/m.1'_a[P2/m] BNS: 12.64 C_a2/m OG: 10.8.56 P_C2/m OG-BNS transformation: (0,0,0;2a,2b,c) Operators (BNS): (1|0,0,0) (2y|0,0,0) (-1|0,0,0) (my|0,0,0) (1|1/2,0,0)' (2y|0,1/2,0)' (-1|0,1/2,0)' (my|0,1/2,0)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,0)+ 16o (x,y,z;mx,my,mz) (-x,y,-z;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x,-y,z;-mx,my,-mz) (x+1/2,y,z;-mx,-my,-mz) (-x,y+1/2,-z;mx,-my,mz) (-x,-y+1/2,-z;-mx,-my,-mz) (x,-y+1/2,z;mx,-my,mz) 8n (x,1/4,z;mx,0,mz) (-x,1/4,-z;-mx,0,-mz) (-x,3/4,-z;mx,0,mz) (x,3/4,z;-mx,0,-mz) 8m (x,0,z;0,my,0) (-x,0,-z;0,my,0) (x+1/2,0,z;0,-my,0) (-x,1/2,-z;0,-my,0) 8l (1/4,y,1/2;mx,0,mz) (3/4,y,1/2;-mx,0,-mz) (3/4,-y,1/2;mx,0,mz) (1/4,-y,1/2;-mx,0,-mz) 8k (0,y,1/2;0,my,0) (0,-y,1/2;0,my,0) (1/2,y,1/2;0,-my,0) (0,-y+1/2,1/2;0,-my,0) 8j (1/4,y,0;mx,0,mz) (3/4,y,0;-mx,0,-mz) (3/4,-y,0;mx,0,mz) (1/4,-y,0;-mx,0,-mz) 8i (0,y,0;0,my,0) (0,-y,0;0,my,0) (1/2,y,0;0,-my,0) (0,-y+1/2,0;0,-my,0) 4h (1/4,1/4,1/2;mx,0,mz) (3/4,1/4,1/2;-mx,0,-mz) 4g (1/4,0,1/2;0,0,0) (3/4,0,1/2;0,0,0) 4f (0,1/4,1/2;0,0,0) (0,3/4,1/2;0,0,0) 4e (1/4,1/4,0;mx,0,mz) (3/4,1/4,0;-mx,0,-mz) 4d (1/4,0,0;0,0,0) (3/4,0,0;0,0,0) 4c (0,0,1/2;0,my,0) (1/2,0,1/2;0,-my,0) 4b (0,1/4,0;0,0,0) (0,3/4,0;0,0,0) 4a (0,0,0;0,my,0) (1/2,0,0;0,-my,0) Operators (OG): (1|0,0,0) (2y|0,0,0) (-1|0,0,0) (my|0,0,0) (1|0,1,0)' (2y|0,1,0)' (-1|0,1,0)' (my|0,1,0)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,2,0)+ (0,0,1)+ (1,1,0)+ 16o (x,y,z;mx,my,mz) (-x,y,-z;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x,-y,z;-mx,my,-mz) (x,y+1,z;-mx,-my,-mz) (-x,y+1,-z;mx,-my,mz) (-x,-y+1,-z;-mx,-my,-mz) (x,-y+1,z;mx,-my,mz) 8n (x,1/2,z;mx,0,mz) (-x,1/2,-z;-mx,0,-mz) (-x,-1/2,-z;mx,0,mz) (x,-1/2,z;-mx,0,-mz) 8m (x,0,z;0,my,0) (-x,0,-z;0,my,0) (x,1,z;0,-my,0) (-x,1,-z;0,-my,0) 8l (1/2,y,1/2;mx,0,mz) (-1/2,y,-1/2;-mx,0,-mz) (-1/2,-y,-1/2;mx,0,mz) (1/2,-y,1/2;-mx,0,-mz) 8k (0,y,1/2;0,my,0) (0,-y,-1/2;0,my,0) (0,y+1,1/2;0,-my,0) (0,-y+1,-1/2;0,-my,0) 8j (1/2,y,0;mx,0,mz) (-1/2,y,0;-mx,0,-mz) (-1/2,-y,0;mx,0,mz) (1/2,-y,0;-mx,0,-mz) 8i (0,y,0;0,my,0) (0,-y,0;0,my,0) (0,y+1,0;0,-my,0) (0,-y+1,0;0,-my,0) 4h (1/2,1/2,1/2;mx,0,mz) (-1/2,1/2,-1/2;-mx,0,-mz) 4g (1/2,0,1/2;0,0,0) (-1/2,0,-1/2;0,0,0) 4f (0,1/2,1/2;0,0,0) (0,-1/2,-1/2;0,0,0) 4e (1/2,1/2,0;mx,0,mz) (-1/2,1/2,0;-mx,0,-mz) 4d (1/2,0,0;0,0,0) (-1/2,0,0;0,0,0) 4c (0,0,1/2;0,my,0) (0,1,1/2;0,-my,0) 4b (0,1/2,0;0,0,0) (0,-1/2,0;0,0,0) 4a (0,0,0;0,my,0) (0,1,0;0,-my,0) ---------- UNI: 13.65 P2/c.1 BNS: 13.65 P2/c OG: 13.1.77 P2/c Operators: (1|0,0,0) (2y|0,0,1/2) (-1|0,0,0) (my|0,0,1/2) Wyckoff positions: 4g (x,y,z;mx,my,mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) 2f (1/2,y,1/4;0,my,0) (1/2,-y,3/4;0,my,0) 2e (0,y,1/4;0,my,0) (0,-y,3/4;0,my,0) 2d (1/2,0,0;mx,my,mz) (1/2,0,1/2;-mx,my,-mz) 2c (0,1/2,0;mx,my,mz) (0,1/2,1/2;-mx,my,-mz) 2b (1/2,1/2,0;mx,my,mz) (1/2,1/2,1/2;-mx,my,-mz) 2a (0,0,0;mx,my,mz) (0,0,1/2;-mx,my,-mz) ---------- UNI: 13.66 P2/c.1' BNS: 13.66 P2/c1' OG: 13.2.78 P2/c1' Operators: (1|0,0,0) (2y|0,0,1/2) (-1|0,0,0) (my|0,0,1/2) (1|0,0,0)' (2y|0,0,1/2)' (-1|0,0,0)' (my|0,0,1/2)' Wyckoff positions: 4g (x,y,z;0,0,0) (-x,y,-z+1/2;0,0,0) (-x,-y,-z;0,0,0) (x,-y,z+1/2;0,0,0) 2f (1/2,y,1/4;0,0,0) (1/2,-y,3/4;0,0,0) 2e (0,y,1/4;0,0,0) (0,-y,3/4;0,0,0) 2d (1/2,0,0;0,0,0) (1/2,0,1/2;0,0,0) 2c (0,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) 2b (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 2a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- UNI: 13.67 P2'/c BNS: 13.67 P2'/c OG: 13.3.79 P2'/c Operators: (1|0,0,0) (2y|0,0,1/2)' (-1|0,0,0)' (my|0,0,1/2) Wyckoff positions: 4g (x,y,z;mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) 2f (1/2,y,1/4;mx,0,mz) (1/2,-y,3/4;-mx,0,-mz) 2e (0,y,1/4;mx,0,mz) (0,-y,3/4;-mx,0,-mz) 2d (1/2,0,0;0,0,0) (1/2,0,1/2;0,0,0) 2c (0,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) 2b (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 2a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- UNI: 13.68 P2/c' BNS: 13.68 P2/c' OG: 13.4.80 P2/c' Operators: (1|0,0,0) (2y|0,0,1/2) (-1|0,0,0)' (my|0,0,1/2)' Wyckoff positions: 4g (x,y,z;mx,my,mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (x,-y,z+1/2;mx,-my,mz) 2f (1/2,y,1/4;0,my,0) (1/2,-y,3/4;0,-my,0) 2e (0,y,1/4;0,my,0) (0,-y,3/4;0,-my,0) 2d (1/2,0,0;0,0,0) (1/2,0,1/2;0,0,0) 2c (0,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) 2b (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 2a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- UNI: 13.69 P2'/c' BNS: 13.69 P2'/c' OG: 13.5.81 P2'/c' Operators: (1|0,0,0) (2y|0,0,1/2)' (-1|0,0,0) (my|0,0,1/2)' Wyckoff positions: 4g (x,y,z;mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,-z;mx,my,mz) (x,-y,z+1/2;mx,-my,mz) 2f (1/2,y,1/4;mx,0,mz) (1/2,-y,3/4;mx,0,mz) 2e (0,y,1/4;mx,0,mz) (0,-y,3/4;mx,0,mz) 2d (1/2,0,0;mx,my,mz) (1/2,0,1/2;mx,-my,mz) 2c (0,1/2,0;mx,my,mz) (0,1/2,1/2;mx,-my,mz) 2b (1/2,1/2,0;mx,my,mz) (1/2,1/2,1/2;mx,-my,mz) 2a (0,0,0;mx,my,mz) (0,0,1/2;mx,-my,mz) ---------- UNI: 13.70 P2/c.1'_a[P2/c] BNS: 13.70 P_a2/c OG: 13.6.82 P_2a2/c OG-BNS transformation: (0,0,0;2a,b,c) Operators (BNS): (1|0,0,0) (2y|0,0,1/2) (-1|0,0,0) (my|0,0,1/2) (1|1/2,0,0)' (2y|1/2,0,1/2)' (-1|1/2,0,0)' (my|1/2,0,1/2)' Wyckoff positions (BNS): 8g (x,y,z;mx,my,mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y,z;-mx,-my,-mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x+1/2,-y,-z;-mx,-my,-mz) (x+1/2,-y,z+1/2;mx,-my,mz) 4f (1/4,y,1/4;mx,0,mz) (3/4,y,1/4;-mx,0,-mz) (3/4,-y,3/4;mx,0,mz) (1/4,-y,3/4;-mx,0,-mz) 4e (0,y,1/4;0,my,0) (0,-y,3/4;0,my,0) (1/2,y,1/4;0,-my,0) (1/2,-y,3/4;0,-my,0) 4d (1/4,0,0;0,0,0) (3/4,0,1/2;0,0,0) (3/4,0,0;0,0,0) (1/4,0,1/2;0,0,0) 4c (0,1/2,0;mx,my,mz) (0,1/2,1/2;-mx,my,-mz) (1/2,1/2,0;-mx,-my,-mz) (1/2,1/2,1/2;mx,-my,mz) 4b (1/4,1/2,0;0,0,0) (3/4,1/2,1/2;0,0,0) (3/4,1/2,0;0,0,0) (1/4,1/2,1/2;0,0,0) 4a (0,0,0;mx,my,mz) (0,0,1/2;-mx,my,-mz) (1/2,0,0;-mx,-my,-mz) (1/2,0,1/2;mx,-my,mz) Operators (OG): (1|0,0,0) (2y|0,0,1/2) (-1|0,0,0) (my|0,0,1/2) (1|1,0,0)' (2y|1,0,1/2)' (-1|1,0,0)' (my|1,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,1,0)+ (0,0,1)+ 8g (x,y,z;mx,my,mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) (x+1,y,z;-mx,-my,-mz) (-x+1,y,-z+1/2;mx,-my,mz) (-x+1,-y,-z;-mx,-my,-mz) (x+1,-y,z+1/2;mx,-my,mz) 4f (1/2,y,1/4;mx,0,mz) (-1/2,y,1/4;-mx,0,-mz) (-1/2,-y,-1/4;mx,0,mz) (1/2,-y,3/4;-mx,0,-mz) 4e (0,y,1/4;0,my,0) (0,-y,-1/4;0,my,0) (1,y,1/4;0,-my,0) (1,-y,-1/4;0,-my,0) 4d (1/2,0,0;0,0,0) (-1/2,0,1/2;0,0,0) (-1/2,0,0;0,0,0) (1/2,0,1/2;0,0,0) 4c (0,1/2,0;mx,my,mz) (0,1/2,1/2;-mx,my,-mz) (1,1/2,0;-mx,-my,-mz) (1,1/2,1/2;mx,-my,mz) 4b (1/2,1/2,0;0,0,0) (-1/2,1/2,1/2;0,0,0) (-1/2,-1/2,0;0,0,0) (1/2,-1/2,1/2;0,0,0) 4a (0,0,0;mx,my,mz) (0,0,1/2;-mx,my,-mz) (1,0,0;-mx,-my,-mz) (1,0,1/2;mx,-my,mz) ---------- UNI: 13.71 P2/c.1'_b[P2/c] BNS: 13.71 P_b2/c OG: 13.7.83 P_2b2/c OG-BNS transformation: (0,0,0;a,2b,c) Operators (BNS): (1|0,0,0) (2y|0,0,1/2) (-1|0,0,0) (my|0,0,1/2) (1|0,1/2,0)' (2y|0,1/2,1/2)' (-1|0,1/2,0)' (my|0,1/2,1/2)' Wyckoff positions (BNS): 8g (x,y,z;mx,my,mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) (x,y+1/2,z;-mx,-my,-mz) (-x,y+1/2,-z+1/2;mx,-my,mz) (-x,-y+1/2,-z;-mx,-my,-mz) (x,-y+1/2,z+1/2;mx,-my,mz) 4f (1/2,y,1/4;0,my,0) (1/2,-y,3/4;0,my,0) (1/2,y+1/2,1/4;0,-my,0) (1/2,-y+1/2,3/4;0,-my,0) 4e (0,y,1/4;0,my,0) (0,-y,3/4;0,my,0) (0,y+1/2,1/4;0,-my,0) (0,-y+1/2,3/4;0,-my,0) 4d (1/2,0,0;mx,my,mz) (1/2,0,1/2;-mx,my,-mz) (1/2,1/2,0;-mx,-my,-mz) (1/2,1/2,1/2;mx,-my,mz) 4c (0,1/4,0;0,0,0) (0,1/4,1/2;0,0,0) (0,3/4,0;0,0,0) (0,3/4,1/2;0,0,0) 4b (1/2,1/4,0;0,0,0) (1/2,1/4,1/2;0,0,0) (1/2,3/4,0;0,0,0) (1/2,3/4,1/2;0,0,0) 4a (0,0,0;mx,my,mz) (0,0,1/2;-mx,my,-mz) (0,1/2,0;-mx,-my,-mz) (0,1/2,1/2;mx,-my,mz) Operators (OG): (1|0,0,0) (2y|0,0,1/2) (-1|0,0,0) (my|0,0,1/2) (1|0,1,0)' (2y|0,1,1/2)' (-1|0,1,0)' (my|0,1,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,2,0)+ (0,0,1)+ 8g (x,y,z;mx,my,mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) (x,y+1,z;-mx,-my,-mz) (-x,y+1,-z+1/2;mx,-my,mz) (-x,-y+1,-z;-mx,-my,-mz) (x,-y+1,z+1/2;mx,-my,mz) 4f (1/2,y,1/4;0,my,0) (-1/2,-y,-1/4;0,my,0) (1/2,y+1,1/4;0,-my,0) (-1/2,-y+1,-1/4;0,-my,0) 4e (0,y,1/4;0,my,0) (0,-y,-1/4;0,my,0) (0,y+1,1/4;0,-my,0) (0,-y+1,-1/4;0,-my,0) 4d (1/2,0,0;mx,my,mz) (-1/2,0,1/2;-mx,my,-mz) (1/2,1,0;-mx,-my,-mz) (-1/2,1,1/2;mx,-my,mz) 4c (0,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) (0,-1/2,0;0,0,0) (0,-1/2,1/2;0,0,0) 4b (1/2,1/2,0;0,0,0) (-1/2,1/2,1/2;0,0,0) (-1/2,-1/2,0;0,0,0) (1/2,-1/2,1/2;0,0,0) 4a (0,0,0;mx,my,mz) (0,0,1/2;-mx,my,-mz) (0,1,0;-mx,-my,-mz) (0,1,1/2;mx,-my,mz) ---------- UNI: 13.72 P2/c.1'_c[P2/m] BNS: 13.72 P_c2/c OG: 10.10.58 P_2c2/m' OG-BNS transformation: (0,0,1/2;a,b,2c) Operators (BNS): (1|0,0,0) (2y|0,0,1/2) (-1|0,0,0) (my|0,0,1/2) (1|0,0,1/2)' (2y|0,0,0)' (-1|0,0,1/2)' (my|0,0,0)' Wyckoff positions (BNS): 8o (x,y,z;mx,my,mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,z+1/2;-mx,-my,-mz) (-x,y,-z;mx,-my,mz) (-x,-y,-z+1/2;-mx,-my,-mz) (x,-y,z;mx,-my,mz) 4n (x,1/2,z;mx,0,mz) (-x,1/2,-z+1/2;-mx,0,-mz) (-x,1/2,-z;mx,0,mz) (x,1/2,z+1/2;-mx,0,-mz) 4m (x,0,z;mx,0,mz) (-x,0,-z+1/2;-mx,0,-mz) (-x,0,-z;mx,0,mz) (x,0,z+1/2;-mx,0,-mz) 4l (1/2,y,0;mx,0,mz) (1/2,y,1/2;-mx,0,-mz) (1/2,-y,0;mx,0,mz) (1/2,-y,1/2;-mx,0,-mz) 4k (0,y,0;mx,0,mz) (0,y,1/2;-mx,0,-mz) (0,-y,0;mx,0,mz) (0,-y,1/2;-mx,0,-mz) 4j (1/2,y,3/4;0,my,0) (1/2,-y,1/4;0,my,0) (1/2,y,1/4;0,-my,0) (1/2,-y,3/4;0,-my,0) 4i (0,y,3/4;0,my,0) (0,-y,1/4;0,my,0) (0,y,1/4;0,-my,0) (0,-y,3/4;0,-my,0) 2h (1/2,1/2,0;mx,0,mz) (1/2,1/2,1/2;-mx,0,-mz) 2g (1/2,0,0;mx,0,mz) (1/2,0,1/2;-mx,0,-mz) 2f (0,1/2,0;mx,0,mz) (0,1/2,1/2;-mx,0,-mz) 2e (1/2,1/2,3/4;0,0,0) (1/2,1/2,1/4;0,0,0) 2d (1/2,0,3/4;0,0,0) (1/2,0,1/4;0,0,0) 2c (0,0,0;mx,0,mz) (0,0,1/2;-mx,0,-mz) 2b (0,1/2,3/4;0,0,0) (0,1/2,1/4;0,0,0) 2a (0,0,3/4;0,0,0) (0,0,1/4;0,0,0) Operators (OG): (1|0,0,0) (2y|0,0,0) (-1|0,0,1) (my|0,0,1) (1|0,0,1)' (2y|0,0,1)' (-1|0,0,0)' (my|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 8o (x,y,z;mx,my,mz) (-x,y,-z;-mx,my,-mz) (-x,-y,-z+1;mx,my,mz) (x,-y,z+1;-mx,my,-mz) (x,y,z+1;-mx,-my,-mz) (-x,y,-z+1;mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (x,-y,z;mx,-my,mz) 4n (x,1/2,z;mx,0,mz) (-x,1/2,-z;-mx,0,-mz) (-x,-1/2,-z+1;mx,0,mz) (x,-1/2,z+1;-mx,0,-mz) 4m (x,0,z;mx,0,mz) (-x,0,-z;-mx,0,-mz) (-x,0,-z+1;mx,0,mz) (x,0,z+1;-mx,0,-mz) 4l (1/2,y,1/2;mx,0,mz) (-1/2,y,-1/2;-mx,0,-mz) (-1/2,-y,1/2;mx,0,mz) (1/2,-y,3/2;-mx,0,-mz) 4k (0,y,1/2;mx,0,mz) (0,y,-1/2;-mx,0,-mz) (0,-y,1/2;mx,0,mz) (0,-y,3/2;-mx,0,-mz) 4j (1/2,y,0;0,my,0) (-1/2,-y,1;0,my,0) (1/2,y,1;0,-my,0) (-1/2,-y,0;0,-my,0) 4i (0,y,0;0,my,0) (0,-y,1;0,my,0) (0,y,1;0,-my,0) (0,-y,0;0,-my,0) 2h (1/2,1/2,1/2;mx,0,mz) (-1/2,1/2,-1/2;-mx,0,-mz) 2g (1/2,0,1/2;mx,0,mz) (-1/2,0,-1/2;-mx,0,-mz) 2f (0,1/2,1/2;mx,0,mz) (0,1/2,-1/2;-mx,0,-mz) 2e (1/2,1/2,0;0,0,0) (-1/2,-1/2,1;0,0,0) 2d (1/2,0,0;0,0,0) (-1/2,0,1;0,0,0) 2c (0,0,1/2;mx,0,mz) (0,0,-1/2;-mx,0,-mz) 2b (0,1/2,0;0,0,0) (0,-1/2,1;0,0,0) 2a (0,0,0;0,0,0) (0,0,1;0,0,0) ---------- UNI: 13.73 P2/c.1'_A[A2/m] BNS: 13.73 P_A2/c OG: 12.10.75 C_P2/m' OG-BNS transformation: (1/4,1/4,0;c,-b,a) Operators (BNS): (1|0,0,0) (2y|0,0,1/2) (-1|0,0,0) (my|0,0,1/2) (1|0,1/2,1/2)' (2y|0,1/2,0)' (-1|0,1/2,1/2)' (my|0,1/2,0)' Wyckoff positions (BNS): 8j (x,y,z;mx,my,mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (-x,y+1/2,-z;mx,-my,mz) (-x,-y+1/2,-z+1/2;-mx,-my,-mz) (x,-y+1/2,z;mx,-my,mz) 4i (x,1/4,z;mx,0,mz) (-x,1/4,-z+1/2;-mx,0,-mz) (-x,3/4,-z;mx,0,mz) (x,3/4,z+1/2;-mx,0,-mz) 4h (1/2,y,3/4;0,my,0) (1/2,-y,1/4;0,my,0) (1/2,y+1/2,1/4;0,-my,0) (1/2,-y+1/2,3/4;0,-my,0) 4g (0,y,3/4;0,my,0) (0,-y,1/4;0,my,0) (0,y+1/2,1/4;0,-my,0) (0,-y+1/2,3/4;0,-my,0) 4f (1/2,0,0;mx,my,mz) (1/2,0,1/2;-mx,my,-mz) (1/2,1/2,1/2;-mx,-my,-mz) (1/2,1/2,0;mx,-my,mz) 4e (0,0,0;mx,my,mz) (0,0,1/2;-mx,my,-mz) (0,1/2,1/2;-mx,-my,-mz) (0,1/2,0;mx,-my,mz) 2d (1/2,3/4,3/4;0,0,0) (1/2,1/4,1/4;0,0,0) 2c (1/2,1/4,3/4;0,0,0) (1/2,3/4,1/4;0,0,0) 2b (0,3/4,3/4;0,0,0) (0,1/4,1/4;0,0,0) 2a (0,1/4,3/4;0,0,0) (0,3/4,1/4;0,0,0) Operators (OG): (1|0,0,0) (2y|0,0,0) (-1|1/2,1/2,0) (my|1/2,1/2,0) (1|1/2,1/2,0)' (2y|1/2,1/2,0)' (-1|0,0,0)' (my|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (0,0,1)+ (0,-1,0)+ (1,0,0)+ 8j (x,y,z;mx,my,mz) (-x,y,-z;-mx,my,-mz) (-x+1/2,-y+1/2,-z;mx,my,mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x+1/2,y+1/2,-z;mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (x,-y,z;mx,-my,mz) 4i (x,0,z;mx,0,mz) (-x,0,-z;-mx,0,-mz) (-x+1/2,1/2,-z;mx,0,mz) (x+1/2,1/2,z;-mx,0,-mz) 4h (0,y,1/2;0,my,0) (1/2,-y+1/2,-1/2;0,my,0) (1/2,y+1/2,1/2;0,-my,0) (0,-y,-1/2;0,-my,0) 4g (0,y,0;0,my,0) (1/2,-y+1/2,0;0,my,0) (1/2,y+1/2,0;0,-my,0) (0,-y,0;0,-my,0) 4f (1/4,1/4,1/2;mx,my,mz) (-1/4,1/4,-1/2;-mx,my,-mz) (3/4,3/4,1/2;-mx,-my,-mz) (1/4,3/4,-1/2;mx,-my,mz) 4e (1/4,1/4,0;mx,my,mz) (-1/4,1/4,0;-mx,my,-mz) (3/4,3/4,0;-mx,-my,-mz) (1/4,3/4,0;mx,-my,mz) 2d (0,1/2,1/2;0,0,0) (1/2,0,-1/2;0,0,0) 2c (0,0,1/2;0,0,0) (1/2,1/2,-1/2;0,0,0) 2b (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,0;0,0,0) ---------- UNI: 13.74 P2/c.1'_C[C2/c] BNS: 13.74 P_C2/c OG: 15.6.97 C_P2/c OG-BNS transformation: (0,0,0;a,b,c) Operators (BNS): (1|0,0,0) (2y|0,0,1/2) (-1|0,0,0) (my|0,0,1/2) (1|1/2,1/2,0)' (2y|1/2,1/2,1/2)' (-1|1/2,1/2,0)' (my|1/2,1/2,1/2)' Wyckoff positions (BNS): 8f (x,y,z;mx,my,mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) 4e (0,y,1/4;0,my,0) (0,-y,3/4;0,my,0) (1/2,y+1/2,1/4;0,-my,0) (1/2,-y+1/2,3/4;0,-my,0) 4d (1/4,1/4,1/2;0,0,0) (3/4,1/4,0;0,0,0) (3/4,3/4,1/2;0,0,0) (1/4,3/4,0;0,0,0) 4c (1/4,1/4,0;0,0,0) (3/4,1/4,1/2;0,0,0) (3/4,3/4,0;0,0,0) (1/4,3/4,1/2;0,0,0) 4b (0,1/2,0;mx,my,mz) (0,1/2,1/2;-mx,my,-mz) (1/2,0,0;-mx,-my,-mz) (1/2,0,1/2;mx,-my,mz) 4a (0,0,0;mx,my,mz) (0,0,1/2;-mx,my,-mz) (1/2,1/2,0;-mx,-my,-mz) (1/2,1/2,1/2;mx,-my,mz) Operators (OG): (1|0,0,0) (2y|0,0,1/2) (-1|0,0,0) (my|0,0,1/2) (1|1/2,1/2,0)' (2y|1/2,1/2,1/2)' (-1|1/2,1/2,0)' (my|1/2,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8f (x,y,z;mx,my,mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) 4e (0,y,1/4;0,my,0) (0,-y,-1/4;0,my,0) (1/2,y+1/2,1/4;0,-my,0) (1/2,-y+1/2,-1/4;0,-my,0) 4d (1/4,1/4,1/2;0,0,0) (-1/4,1/4,0;0,0,0) (-1/4,-1/4,-1/2;0,0,0) (1/4,-1/4,1;0,0,0) 4c (1/4,1/4,0;0,0,0) (-1/4,1/4,1/2;0,0,0) (-1/4,-1/4,0;0,0,0) (1/4,-1/4,1/2;0,0,0) 4b (0,1/2,0;mx,my,mz) (0,1/2,1/2;-mx,my,-mz) (1/2,1,0;-mx,-my,-mz) (1/2,1,1/2;mx,-my,mz) 4a (0,0,0;mx,my,mz) (0,0,1/2;-mx,my,-mz) (1/2,1/2,0;-mx,-my,-mz) (1/2,1/2,1/2;mx,-my,mz) ---------- UNI: 14.75 P2_1/c.1 BNS: 14.75 P2_1/c OG: 14.1.86 P2_1/c Operators: (1|0,0,0) (2y|0,1/2,1/2) (-1|0,0,0) (my|0,1/2,1/2) Wyckoff positions: 4e (x,y,z;mx,my,mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x,-y+1/2,z+1/2;-mx,my,-mz) 2d (1/2,0,1/2;mx,my,mz) (1/2,1/2,0;-mx,my,-mz) 2c (0,0,1/2;mx,my,mz) (0,1/2,0;-mx,my,-mz) 2b (1/2,0,0;mx,my,mz) (1/2,1/2,1/2;-mx,my,-mz) 2a (0,0,0;mx,my,mz) (0,1/2,1/2;-mx,my,-mz) ---------- UNI: 14.76 P2_1/c.1' BNS: 14.76 P2_1/c1' OG: 14.2.87 P2_1/c1' Operators: (1|0,0,0) (2y|0,1/2,1/2) (-1|0,0,0) (my|0,1/2,1/2) (1|0,0,0)' (2y|0,1/2,1/2)' (-1|0,0,0)' (my|0,1/2,1/2)' Wyckoff positions: 4e (x,y,z;0,0,0) (-x,y+1/2,-z+1/2;0,0,0) (-x,-y,-z;0,0,0) (x,-y+1/2,z+1/2;0,0,0) 2d (1/2,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 2c (0,0,1/2;0,0,0) (0,1/2,0;0,0,0) 2b (1/2,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) 2a (0,0,0;0,0,0) (0,1/2,1/2;0,0,0) ---------- UNI: 14.77 P2_1'/c BNS: 14.77 P2_1'/c OG: 14.3.88 P2_1'/c Operators: (1|0,0,0) (2y|0,1/2,1/2)' (-1|0,0,0)' (my|0,1/2,1/2) Wyckoff positions: 4e (x,y,z;mx,my,mz) (-x,y+1/2,-z+1/2;mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (x,-y+1/2,z+1/2;-mx,my,-mz) 2d (1/2,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 2c (0,0,1/2;0,0,0) (0,1/2,0;0,0,0) 2b (1/2,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) 2a (0,0,0;0,0,0) (0,1/2,1/2;0,0,0) ---------- UNI: 14.78 P2_1/c' BNS: 14.78 P2_1/c' OG: 14.4.89 P2_1/c' Operators: (1|0,0,0) (2y|0,1/2,1/2) (-1|0,0,0)' (my|0,1/2,1/2)' Wyckoff positions: 4e (x,y,z;mx,my,mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (x,-y+1/2,z+1/2;mx,-my,mz) 2d (1/2,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 2c (0,0,1/2;0,0,0) (0,1/2,0;0,0,0) 2b (1/2,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) 2a (0,0,0;0,0,0) (0,1/2,1/2;0,0,0) ---------- UNI: 14.79 P2_1'/c' BNS: 14.79 P2_1'/c' OG: 14.5.90 P2_1'/c' Operators: (1|0,0,0) (2y|0,1/2,1/2)' (-1|0,0,0) (my|0,1/2,1/2)' Wyckoff positions: 4e (x,y,z;mx,my,mz) (-x,y+1/2,-z+1/2;mx,-my,mz) (-x,-y,-z;mx,my,mz) (x,-y+1/2,z+1/2;mx,-my,mz) 2d (1/2,0,1/2;mx,my,mz) (1/2,1/2,0;mx,-my,mz) 2c (0,0,1/2;mx,my,mz) (0,1/2,0;mx,-my,mz) 2b (1/2,0,0;mx,my,mz) (1/2,1/2,1/2;mx,-my,mz) 2a (0,0,0;mx,my,mz) (0,1/2,1/2;mx,-my,mz) ---------- UNI: 14.80 P2_1/c.1'_a[P2_1/c] BNS: 14.80 P_a2_1/c OG: 14.6.91 P_2a2_1/c OG-BNS transformation: (0,0,0;2a,b,c) Operators (BNS): (1|0,0,0) (2y|0,1/2,1/2) (-1|0,0,0) (my|0,1/2,1/2) (1|1/2,0,0)' (2y|1/2,1/2,1/2)' (-1|1/2,0,0)' (my|1/2,1/2,1/2)' Wyckoff positions (BNS): 8e (x,y,z;mx,my,mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y,z;-mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y,-z;-mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) 4d (1/4,0,1/2;0,0,0) (3/4,1/2,0;0,0,0) (3/4,0,1/2;0,0,0) (1/4,1/2,0;0,0,0) 4c (0,0,1/2;mx,my,mz) (0,1/2,0;-mx,my,-mz) (1/2,0,1/2;-mx,-my,-mz) (1/2,1/2,0;mx,-my,mz) 4b (1/4,0,0;0,0,0) (3/4,1/2,1/2;0,0,0) (3/4,0,0;0,0,0) (1/4,1/2,1/2;0,0,0) 4a (0,0,0;mx,my,mz) (0,1/2,1/2;-mx,my,-mz) (1/2,0,0;-mx,-my,-mz) (1/2,1/2,1/2;mx,-my,mz) Operators (OG): (1|0,0,0) (2y|0,1/2,1/2) (-1|0,0,0) (my|0,1/2,1/2) (1|1,0,0)' (2y|1,1/2,1/2)' (-1|1,0,0)' (my|1,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,1,0)+ (0,0,1)+ 8e (x,y,z;mx,my,mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x+1,y,z;-mx,-my,-mz) (-x+1,y+1/2,-z+1/2;mx,-my,mz) (-x+1,-y,-z;-mx,-my,-mz) (x+1,-y+1/2,z+1/2;mx,-my,mz) 4d (1/2,0,1/2;0,0,0) (-1/2,1/2,0;0,0,0) (-1/2,0,-1/2;0,0,0) (1/2,1/2,1;0,0,0) 4c (0,0,1/2;mx,my,mz) (0,1/2,0;-mx,my,-mz) (1,0,1/2;-mx,-my,-mz) (1,1/2,0;mx,-my,mz) 4b (1/2,0,0;0,0,0) (-1/2,1/2,1/2;0,0,0) (-1/2,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) 4a (0,0,0;mx,my,mz) (0,1/2,1/2;-mx,my,-mz) (1,0,0;-mx,-my,-mz) (1,1/2,1/2;mx,-my,mz) ---------- UNI: 14.81 P2_1/c.1'_b[P2/c] BNS: 14.81 P_b2_1/c OG: 13.9.85 P_2b2'/c OG-BNS transformation: (0,1/2,0;a,2b,c) Operators (BNS): (1|0,0,0) (2y|0,1/2,1/2) (-1|0,0,0) (my|0,1/2,1/2) (1|0,1/2,0)' (2y|0,0,1/2)' (-1|0,1/2,0)' (my|0,0,1/2)' Wyckoff positions (BNS): 8g (x,y,z;mx,my,mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x,y+1/2,z;-mx,-my,-mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y+1/2,-z;-mx,-my,-mz) (x,-y,z+1/2;mx,-my,mz) 4f (1/2,y,1/4;mx,0,mz) (1/2,y+1/2,1/4;-mx,0,-mz) (1/2,-y,3/4;mx,0,mz) (1/2,-y+1/2,3/4;-mx,0,-mz) 4e (0,y,1/4;mx,0,mz) (0,y+1/2,1/4;-mx,0,-mz) (0,-y,3/4;mx,0,mz) (0,-y+1/2,3/4;-mx,0,-mz) 4d (1/2,3/4,0;0,0,0) (1/2,1/4,1/2;0,0,0) (1/2,1/4,0;0,0,0) (1/2,3/4,1/2;0,0,0) 4c (0,0,0;mx,my,mz) (0,1/2,1/2;-mx,my,-mz) (0,1/2,0;-mx,-my,-mz) (0,0,1/2;mx,-my,mz) 4b (1/2,0,0;mx,my,mz) (1/2,1/2,1/2;-mx,my,-mz) (1/2,1/2,0;-mx,-my,-mz) (1/2,0,1/2;mx,-my,mz) 4a (0,3/4,0;0,0,0) (0,1/4,1/2;0,0,0) (0,1/4,0;0,0,0) (0,3/4,1/2;0,0,0) Operators (OG): (1|0,0,0) (2y|0,1,1/2) (-1|0,1,0) (my|0,0,1/2) (1|0,1,0)' (2y|0,0,1/2)' (-1|0,0,0)' (my|0,1,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,2,0)+ (0,0,1)+ 8g (x,y,z;mx,my,mz) (-x,y+1,-z+1/2;-mx,my,-mz) (-x,-y+1,-z;mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) (x,y+1,z;-mx,-my,-mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (x,-y+1,z+1/2;mx,-my,mz) 4f (1/2,y,1/4;mx,0,mz) (-1/2,y+1,1/4;-mx,0,-mz) (-1/2,-y+1,-1/4;mx,0,mz) (1/2,-y,3/4;-mx,0,-mz) 4e (0,y,1/4;mx,0,mz) (0,y+1,1/4;-mx,0,-mz) (0,-y+1,-1/4;mx,0,mz) (0,-y,3/4;-mx,0,-mz) 4d (1/2,0,0;0,0,0) (-1/2,1,1/2;0,0,0) (-1/2,1,0;0,0,0) (1/2,0,1/2;0,0,0) 4c (0,1/2,0;mx,my,mz) (0,3/2,1/2;-mx,my,-mz) (0,3/2,0;-mx,-my,-mz) (0,1/2,1/2;mx,-my,mz) 4b (1/2,1/2,0;mx,my,mz) (-1/2,3/2,1/2;-mx,my,-mz) (1/2,3/2,0;-mx,-my,-mz) (-1/2,1/2,1/2;mx,-my,mz) 4a (0,0,0;0,0,0) (0,1,1/2;0,0,0) (0,1,0;0,0,0) (0,0,1/2;0,0,0) ---------- UNI: 14.82 P2_1/c.1'_c[P2_1/m] BNS: 14.82 P_c2_1/c OG: 11.7.65 P_2c2_1/m' OG-BNS transformation: (0,0,1/2;a,b,2c) Operators (BNS): (1|0,0,0) (2y|0,1/2,1/2) (-1|0,0,0) (my|0,1/2,1/2) (1|0,0,1/2)' (2y|0,1/2,0)' (-1|0,0,1/2)' (my|0,1/2,0)' Wyckoff positions (BNS): 8f (x,y,z;mx,my,mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x,y,z+1/2;-mx,-my,-mz) (-x,y+1/2,-z;mx,-my,mz) (-x,-y,-z+1/2;-mx,-my,-mz) (x,-y+1/2,z;mx,-my,mz) 4e (x,1/4,z;mx,0,mz) (-x,3/4,-z+1/2;-mx,0,-mz) (-x,3/4,-z;mx,0,mz) (x,1/4,z+1/2;-mx,0,-mz) 4d (1/2,0,0;mx,my,mz) (1/2,1/2,1/2;-mx,my,-mz) (1/2,0,1/2;-mx,-my,-mz) (1/2,1/2,0;mx,-my,mz) 4c (0,0,0;mx,my,mz) (0,1/2,1/2;-mx,my,-mz) (0,0,1/2;-mx,-my,-mz) (0,1/2,0;mx,-my,mz) 4b (1/2,0,3/4;0,0,0) (1/2,1/2,3/4;0,0,0) (1/2,0,1/4;0,0,0) (1/2,1/2,1/4;0,0,0) 4a (0,0,3/4;0,0,0) (0,1/2,3/4;0,0,0) (0,0,1/4;0,0,0) (0,1/2,1/4;0,0,0) Operators (OG): (1|0,0,0) (2y|0,1/2,0) (-1|0,0,1) (my|0,1/2,1) (1|0,0,1)' (2y|0,1/2,1)' (-1|0,0,0)' (my|0,1/2,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 8f (x,y,z;mx,my,mz) (-x,y+1/2,-z;-mx,my,-mz) (-x,-y,-z+1;mx,my,mz) (x,-y+1/2,z+1;-mx,my,-mz) (x,y,z+1;-mx,-my,-mz) (-x,y+1/2,-z+1;mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (x,-y+1/2,z;mx,-my,mz) 4e (x,1/4,z;mx,0,mz) (-x,3/4,-z;-mx,0,-mz) (-x,-1/4,-z+1;mx,0,mz) (x,1/4,z+1;-mx,0,-mz) 4d (1/2,0,1/2;mx,my,mz) (-1/2,1/2,-1/2;-mx,my,-mz) (1/2,0,3/2;-mx,-my,-mz) (-1/2,1/2,1/2;mx,-my,mz) 4c (0,0,1/2;mx,my,mz) (0,1/2,-1/2;-mx,my,-mz) (0,0,3/2;-mx,-my,-mz) (0,1/2,1/2;mx,-my,mz) 4b (1/2,0,0;0,0,0) (-1/2,1/2,0;0,0,0) (-1/2,0,1;0,0,0) (1/2,1/2,1;0,0,0) 4a (0,0,0;0,0,0) (0,1/2,0;0,0,0) (0,0,1;0,0,0) (0,1/2,1;0,0,0) ---------- UNI: 14.83 P2_1/c.1'_A[A2/m] BNS: 14.83 P_A2_1/c OG: 12.11.76 C_P2'/m' OG-BNS transformation: (0,0,0;c,-b,a) Operators (BNS): (1|0,0,0) (2y|0,1/2,1/2) (-1|0,0,0) (my|0,1/2,1/2) (1|0,1/2,1/2)' (2y|0,0,0)' (-1|0,1/2,1/2)' (my|0,0,0)' Wyckoff positions (BNS): 8j (x,y,z;mx,my,mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (-x,y,-z;mx,-my,mz) (-x,-y+1/2,-z+1/2;-mx,-my,-mz) (x,-y,z;mx,-my,mz) 4i (x,0,z;mx,0,mz) (-x,1/2,-z+1/2;-mx,0,-mz) (-x,0,-z;mx,0,mz) (x,1/2,z+1/2;-mx,0,-mz) 4h (1/2,y,0;mx,0,mz) (1/2,y+1/2,1/2;-mx,0,-mz) (1/2,-y,0;mx,0,mz) (1/2,-y+1/2,1/2;-mx,0,-mz) 4g (0,y,0;mx,0,mz) (0,y+1/2,1/2;-mx,0,-mz) (0,-y,0;mx,0,mz) (0,-y+1/2,1/2;-mx,0,-mz) 4f (1/2,3/4,1/4;0,0,0) (1/2,1/4,1/4;0,0,0) (1/2,1/4,3/4;0,0,0) (1/2,3/4,3/4;0,0,0) 4e (0,3/4,1/4;0,0,0) (0,1/4,1/4;0,0,0) (0,1/4,3/4;0,0,0) (0,3/4,3/4;0,0,0) 2d (1/2,1/2,0;mx,0,mz) (1/2,0,1/2;-mx,0,-mz) 2c (1/2,0,0;mx,0,mz) (1/2,1/2,1/2;-mx,0,-mz) 2b (0,1/2,0;mx,0,mz) (0,0,1/2;-mx,0,-mz) 2a (0,0,0;mx,0,mz) (0,1/2,1/2;-mx,0,-mz) Operators (OG): (1|0,0,0) (2y|1/2,1/2,0) (-1|0,0,0) (my|1/2,1/2,0) (1|1/2,1/2,0)' (2y|0,0,0)' (-1|1/2,1/2,0)' (my|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (0,0,1)+ (0,-1,0)+ (1,0,0)+ 8j (x,y,z;mx,my,mz) (-x+1/2,y+1/2,-z;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x,y,-z;mx,-my,mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (x,-y,z;mx,-my,mz) 4i (x,0,z;mx,0,mz) (-x+1/2,1/2,-z;-mx,0,-mz) (-x,0,-z;mx,0,mz) (x+1/2,1/2,z;-mx,0,-mz) 4h (0,y,1/2;mx,0,mz) (1/2,y+1/2,-1/2;-mx,0,-mz) (0,-y,-1/2;mx,0,mz) (1/2,-y+1/2,1/2;-mx,0,-mz) 4g (0,y,0;mx,0,mz) (1/2,y+1/2,0;-mx,0,-mz) (0,-y,0;mx,0,mz) (1/2,-y+1/2,0;-mx,0,-mz) 4f (1/4,1/4,1/2;0,0,0) (1/4,3/4,-1/2;0,0,0) (-1/4,-1/4,-1/2;0,0,0) (3/4,1/4,1/2;0,0,0) 4e (1/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) (-1/4,-1/4,0;0,0,0) (3/4,1/4,0;0,0,0) 2d (0,1/2,1/2;mx,0,mz) (1/2,1,-1/2;-mx,0,-mz) 2c (0,0,1/2;mx,0,mz) (1/2,1/2,-1/2;-mx,0,-mz) 2b (0,1/2,0;mx,0,mz) (1/2,1,0;-mx,0,-mz) 2a (0,0,0;mx,0,mz) (1/2,1/2,0;-mx,0,-mz) ---------- UNI: 14.84 P2_1/c.1'_C[C2/c] BNS: 14.84 P_C2_1/c OG: 15.7.98 C_P2'/c OG-BNS transformation: (1/4,1/4,0;a,b,c) Operators (BNS): (1|0,0,0) (2y|0,1/2,1/2) (-1|0,0,0) (my|0,1/2,1/2) (1|1/2,1/2,0)' (2y|1/2,0,1/2)' (-1|1/2,1/2,0)' (my|1/2,0,1/2)' Wyckoff positions (BNS): 8f (x,y,z;mx,my,mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (x+1/2,-y,z+1/2;mx,-my,mz) 4e (3/4,y,1/4;mx,0,mz) (1/4,y+1/2,1/4;-mx,0,-mz) (1/4,-y,3/4;mx,0,mz) (3/4,-y+1/2,3/4;-mx,0,-mz) 4d (0,0,1/2;mx,my,mz) (0,1/2,0;-mx,my,-mz) (1/2,1/2,1/2;-mx,-my,-mz) (1/2,0,0;mx,-my,mz) 4c (0,0,0;mx,my,mz) (0,1/2,1/2;-mx,my,-mz) (1/2,1/2,0;-mx,-my,-mz) (1/2,0,1/2;mx,-my,mz) 4b (3/4,1/4,0;0,0,0) (1/4,3/4,1/2;0,0,0) (1/4,3/4,0;0,0,0) (3/4,1/4,1/2;0,0,0) 4a (3/4,3/4,0;0,0,0) (1/4,1/4,1/2;0,0,0) (1/4,1/4,0;0,0,0) (3/4,3/4,1/2;0,0,0) Operators (OG): (1|0,0,0) (2y|1/2,1/2,1/2) (-1|1/2,1/2,0) (my|0,0,1/2) (1|1/2,1/2,0)' (2y|0,0,1/2)' (-1|0,0,0)' (my|1/2,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8f (x,y,z;mx,my,mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,-z;mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) 4e (0,y,1/4;mx,0,mz) (1/2,y+1/2,1/4;-mx,0,-mz) (1/2,-y+1/2,-1/4;mx,0,mz) (0,-y,3/4;-mx,0,-mz) 4d (1/4,1/4,1/2;mx,my,mz) (1/4,3/4,0;-mx,my,-mz) (3/4,3/4,1/2;-mx,-my,-mz) (-1/4,1/4,0;mx,-my,mz) 4c (1/4,1/4,0;mx,my,mz) (1/4,3/4,1/2;-mx,my,-mz) (3/4,3/4,0;-mx,-my,-mz) (-1/4,1/4,1/2;mx,-my,mz) 4b (0,1/2,0;0,0,0) (1/2,1,1/2;0,0,0) (1/2,0,0;0,0,0) (0,-1/2,1/2;0,0,0) 4a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) (1/2,1/2,0;0,0,0) (0,0,1/2;0,0,0) ---------- UNI: 15.85 C2/c.1 BNS: 15.85 C2/c OG: 15.1.92 C2/c Operators: (1|0,0,0) (2y|0,0,1/2) (-1|0,0,0) (my|0,0,1/2) Wyckoff positions: (0,0,0)+ (1/2,1/2,0)+ 8f (x,y,z;mx,my,mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) 4e (0,y,1/4;0,my,0) (0,-y,3/4;0,my,0) 4d (1/4,1/4,1/2;mx,my,mz) (3/4,1/4,0;-mx,my,-mz) 4c (1/4,1/4,0;mx,my,mz) (3/4,1/4,1/2;-mx,my,-mz) 4b (0,1/2,0;mx,my,mz) (0,1/2,1/2;-mx,my,-mz) 4a (0,0,0;mx,my,mz) (0,0,1/2;-mx,my,-mz) ---------- UNI: 15.86 C2/c.1' BNS: 15.86 C2/c1' OG: 15.2.93 C2/c1' Operators: (1|0,0,0) (2y|0,0,1/2) (-1|0,0,0) (my|0,0,1/2) (1|0,0,0)' (2y|0,0,1/2)' (-1|0,0,0)' (my|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1/2,1/2,0)+ 8f (x,y,z;0,0,0) (-x,y,-z+1/2;0,0,0) (-x,-y,-z;0,0,0) (x,-y,z+1/2;0,0,0) 4e (0,y,1/4;0,0,0) (0,-y,3/4;0,0,0) 4d (1/4,1/4,1/2;0,0,0) (3/4,1/4,0;0,0,0) 4c (1/4,1/4,0;0,0,0) (3/4,1/4,1/2;0,0,0) 4b (0,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) 4a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- UNI: 15.87 C2'/c BNS: 15.87 C2'/c OG: 15.3.94 C2'/c Operators: (1|0,0,0) (2y|0,0,1/2)' (-1|0,0,0)' (my|0,0,1/2) Wyckoff positions: (0,0,0)+ (1/2,1/2,0)+ 8f (x,y,z;mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) 4e (0,y,1/4;mx,0,mz) (0,-y,3/4;-mx,0,-mz) 4d (1/4,1/4,1/2;0,0,0) (1/4,3/4,0;0,0,0) 4c (1/4,1/4,0;0,0,0) (1/4,3/4,1/2;0,0,0) 4b (0,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) 4a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- UNI: 15.88 C2/c' BNS: 15.88 C2/c' OG: 15.4.95 C2/c' Operators: (1|0,0,0) (2y|0,0,1/2) (-1|0,0,0)' (my|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1/2,1/2,0)+ 8f (x,y,z;mx,my,mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (x,-y,z+1/2;mx,-my,mz) 4e (0,y,1/4;0,my,0) (0,-y,3/4;0,-my,0) 4d (1/4,1/4,1/2;0,0,0) (3/4,1/4,0;0,0,0) 4c (1/4,1/4,0;0,0,0) (3/4,1/4,1/2;0,0,0) 4b (0,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) 4a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- UNI: 15.89 C2'/c' BNS: 15.89 C2'/c' OG: 15.5.96 C2'/c' Operators: (1|0,0,0) (2y|0,0,1/2)' (-1|0,0,0) (my|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1/2,1/2,0)+ 8f (x,y,z;mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,-z;mx,my,mz) (x,-y,z+1/2;mx,-my,mz) 4e (0,y,1/4;mx,0,mz) (0,-y,3/4;mx,0,mz) 4d (1/4,1/4,1/2;mx,my,mz) (3/4,1/4,0;mx,-my,mz) 4c (1/4,1/4,0;mx,my,mz) (3/4,1/4,1/2;mx,-my,mz) 4b (0,1/2,0;mx,my,mz) (0,1/2,1/2;mx,-my,mz) 4a (0,0,0;mx,my,mz) (0,0,1/2;mx,-my,mz) ---------- UNI: 15.90 C2/c.1'_c[C2/m] BNS: 15.90 C_c2/c OG: 12.8.73 C_2c2/m' OG-BNS transformation: (0,0,1/2;a,b,2c) Operators (BNS): (1|0,0,0) (2y|0,0,1/2) (-1|0,0,0) (my|0,0,1/2) (1|0,0,1/2)' (2y|0,0,0)' (-1|0,0,1/2)' (my|0,0,0)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,0)+ 16j (x,y,z;mx,my,mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,z+1/2;-mx,-my,-mz) (-x,y,-z;mx,-my,mz) (-x,-y,-z+1/2;-mx,-my,-mz) (x,-y,z;mx,-my,mz) 8i (x,0,z;mx,0,mz) (-x,0,-z+1/2;-mx,0,-mz) (-x,0,-z;mx,0,mz) (x,0,z+1/2;-mx,0,-mz) 8h (0,y,0;mx,0,mz) (0,y,1/2;-mx,0,-mz) (0,-y,0;mx,0,mz) (0,-y,1/2;-mx,0,-mz) 8g (0,y,3/4;0,my,0) (0,-y,1/4;0,my,0) (0,y,1/4;0,-my,0) (0,-y,3/4;0,-my,0) 8f (1/4,1/4,0;mx,my,mz) (3/4,1/4,1/2;-mx,my,-mz) (1/4,1/4,1/2;-mx,-my,-mz) (3/4,1/4,0;mx,-my,mz) 8e (1/4,1/4,3/4;0,0,0) (3/4,1/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) (1/4,3/4,1/4;0,0,0) 4d (0,1/2,0;mx,0,mz) (0,1/2,1/2;-mx,0,-mz) 4c (0,0,0;mx,0,mz) (0,0,1/2;-mx,0,-mz) 4b (0,1/2,3/4;0,0,0) (0,1/2,1/4;0,0,0) 4a (0,0,3/4;0,0,0) (0,0,1/4;0,0,0) Operators (OG): (1|0,0,0) (2y|0,0,0) (-1|0,0,1) (my|0,0,1) (1|0,0,1)' (2y|0,0,1)' (-1|0,0,0)' (my|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ (1/2,1/2,0)+ 16j (x,y,z;mx,my,mz) (-x,y,-z;-mx,my,-mz) (-x,-y,-z+1;mx,my,mz) (x,-y,z+1;-mx,my,-mz) (x,y,z+1;-mx,-my,-mz) (-x,y,-z+1;mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (x,-y,z;mx,-my,mz) 8i (x,0,z;mx,0,mz) (-x,0,-z;-mx,0,-mz) (-x,0,-z+1;mx,0,mz) (x,0,z+1;-mx,0,-mz) 8h (0,y,1/2;mx,0,mz) (0,y,-1/2;-mx,0,-mz) (0,-y,1/2;mx,0,mz) (0,-y,3/2;-mx,0,-mz) 8g (0,y,0;0,my,0) (0,-y,1;0,my,0) (0,y,1;0,-my,0) (0,-y,0;0,-my,0) 8f (1/4,1/4,1/2;mx,my,mz) (-1/4,1/4,-1/2;-mx,my,-mz) (1/4,1/4,3/2;-mx,-my,-mz) (-1/4,1/4,1/2;mx,-my,mz) 8e (1/4,1/4,0;0,0,0) (-1/4,1/4,0;0,0,0) (-1/4,-1/4,1;0,0,0) (1/4,-1/4,1;0,0,0) 4d (0,1/2,1/2;mx,0,mz) (0,1/2,-1/2;-mx,0,-mz) 4c (0,0,1/2;mx,0,mz) (0,0,-1/2;-mx,0,-mz) 4b (0,1/2,0;0,0,0) (0,-1/2,1;0,0,0) 4a (0,0,0;0,0,0) (0,0,1;0,0,0) ---------- UNI: 15.91 C2/c.1'_a[P2/c] BNS: 15.91 C_a2/c OG: 13.8.84 P_C2/c OG-BNS transformation: (0,0,0;2a,2b,c) Operators (BNS): (1|0,0,0) (2y|0,0,1/2) (-1|0,0,0) (my|0,0,1/2) (1|1/2,0,0)' (2y|0,1/2,1/2)' (-1|0,1/2,0)' (my|0,1/2,1/2)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,0)+ 16g (x,y,z;mx,my,mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y,z;-mx,-my,-mz) (-x,y+1/2,-z+1/2;mx,-my,mz) (-x,-y+1/2,-z;-mx,-my,-mz) (x,-y+1/2,z+1/2;mx,-my,mz) 8f (1/4,y,1/4;mx,0,mz) (3/4,y,1/4;-mx,0,-mz) (3/4,-y,3/4;mx,0,mz) (1/4,-y,3/4;-mx,0,-mz) 8e (0,y,1/4;0,my,0) (0,-y,3/4;0,my,0) (1/2,y,1/4;0,-my,0) (0,-y+1/2,3/4;0,-my,0) 8d (1/4,0,0;0,0,0) (3/4,0,1/2;0,0,0) (3/4,0,0;0,0,0) (1/4,0,1/2;0,0,0) 8c (0,1/4,0;0,0,0) (0,1/4,1/2;0,0,0) (0,3/4,0;0,0,0) (0,3/4,1/2;0,0,0) 8b (1/4,1/4,0;mx,my,mz) (3/4,1/4,1/2;-mx,my,-mz) (3/4,1/4,0;-mx,-my,-mz) (3/4,3/4,1/2;mx,-my,mz) 8a (0,0,0;mx,my,mz) (0,0,1/2;-mx,my,-mz) (1/2,0,0;-mx,-my,-mz) (0,1/2,1/2;mx,-my,mz) Operators (OG): (1|0,0,0) (2y|0,0,1/2) (-1|0,0,0) (my|0,0,1/2) (1|0,1,0)' (2y|0,1,1/2)' (-1|0,1,0)' (my|0,1,1/2)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,2,0)+ (0,0,1)+ (1,1,0)+ 16g (x,y,z;mx,my,mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) (x,y+1,z;-mx,-my,-mz) (-x,y+1,-z+1/2;mx,-my,mz) (-x,-y+1,-z;-mx,-my,-mz) (x,-y+1,z+1/2;mx,-my,mz) 8f (1/2,y,1/4;mx,0,mz) (-1/2,y,1/4;-mx,0,-mz) (-1/2,-y,-1/4;mx,0,mz) (1/2,-y,3/4;-mx,0,-mz) 8e (0,y,1/4;0,my,0) (0,-y,-1/4;0,my,0) (0,y+1,1/4;0,-my,0) (0,-y+1,-1/4;0,-my,0) 8d (1/2,0,0;0,0,0) (-1/2,0,1/2;0,0,0) (-1/2,0,0;0,0,0) (1/2,0,1/2;0,0,0) 8c (0,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) (0,-1/2,0;0,0,0) (0,-1/2,1/2;0,0,0) 8b (1/2,1/2,0;mx,my,mz) (-1/2,1/2,1/2;-mx,my,-mz) (1/2,3/2,0;-mx,-my,-mz) (-1/2,3/2,1/2;mx,-my,mz) 8a (0,0,0;mx,my,mz) (0,0,1/2;-mx,my,-mz) (0,1,0;-mx,-my,-mz) (0,1,1/2;mx,-my,mz) ---------- UNI: 16.1 P222.1 BNS: 16.1 P222 OG: 16.1.99 P222 Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) Wyckoff positions: 4u (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) 2t (1/2,1/2,z;0,0,mz) (1/2,1/2,-z;0,0,-mz) 2s (0,1/2,z;0,0,mz) (0,1/2,-z;0,0,-mz) 2r (1/2,0,z;0,0,mz) (1/2,0,-z;0,0,-mz) 2q (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) 2p (1/2,y,1/2;0,my,0) (1/2,-y,1/2;0,-my,0) 2o (1/2,y,0;0,my,0) (1/2,-y,0;0,-my,0) 2n (0,y,1/2;0,my,0) (0,-y,1/2;0,-my,0) 2m (0,y,0;0,my,0) (0,-y,0;0,-my,0) 2l (x,1/2,1/2;mx,0,0) (-x,1/2,1/2;-mx,0,0) 2k (x,1/2,0;mx,0,0) (-x,1/2,0;-mx,0,0) 2j (x,0,1/2;mx,0,0) (-x,0,1/2;-mx,0,0) 2i (x,0,0;mx,0,0) (-x,0,0;-mx,0,0) 1h (1/2,1/2,1/2;0,0,0) 1g (0,1/2,1/2;0,0,0) 1f (1/2,0,1/2;0,0,0) 1e (1/2,1/2,0;0,0,0) 1d (0,0,1/2;0,0,0) 1c (0,1/2,0;0,0,0) 1b (1/2,0,0;0,0,0) 1a (0,0,0;0,0,0) ---------- UNI: 16.2 P222.1' BNS: 16.2 P2221' OG: 16.2.100 P2221' Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (1|0,0,0)' (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,0)' Wyckoff positions: 4u (x,y,z;0,0,0) (x,-y,-z;0,0,0) (-x,y,-z;0,0,0) (-x,-y,z;0,0,0) 2t (1/2,1/2,z;0,0,0) (1/2,1/2,-z;0,0,0) 2s (0,1/2,z;0,0,0) (0,1/2,-z;0,0,0) 2r (1/2,0,z;0,0,0) (1/2,0,-z;0,0,0) 2q (0,0,z;0,0,0) (0,0,-z;0,0,0) 2p (1/2,y,1/2;0,0,0) (1/2,-y,1/2;0,0,0) 2o (1/2,y,0;0,0,0) (1/2,-y,0;0,0,0) 2n (0,y,1/2;0,0,0) (0,-y,1/2;0,0,0) 2m (0,y,0;0,0,0) (0,-y,0;0,0,0) 2l (x,1/2,1/2;0,0,0) (-x,1/2,1/2;0,0,0) 2k (x,1/2,0;0,0,0) (-x,1/2,0;0,0,0) 2j (x,0,1/2;0,0,0) (-x,0,1/2;0,0,0) 2i (x,0,0;0,0,0) (-x,0,0;0,0,0) 1h (1/2,1/2,1/2;0,0,0) 1g (0,1/2,1/2;0,0,0) 1f (1/2,0,1/2;0,0,0) 1e (1/2,1/2,0;0,0,0) 1d (0,0,1/2;0,0,0) 1c (0,1/2,0;0,0,0) 1b (1/2,0,0;0,0,0) 1a (0,0,0;0,0,0) ---------- UNI: 16.3 P2'2'2 BNS: 16.3 P2'2'2 OG: 16.3.101 P2'2'2 Operators: (1|0,0,0) (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,0) Wyckoff positions: 4u (x,y,z;mx,my,mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z;-mx,-my,mz) 2t (1/2,1/2,z;0,0,mz) (1/2,1/2,-z;0,0,mz) 2s (0,1/2,z;0,0,mz) (0,1/2,-z;0,0,mz) 2r (1/2,0,z;0,0,mz) (1/2,0,-z;0,0,mz) 2q (0,0,z;0,0,mz) (0,0,-z;0,0,mz) 2p (1/2,y,1/2;mx,0,mz) (1/2,-y,1/2;-mx,0,mz) 2o (1/2,y,0;mx,0,mz) (1/2,-y,0;-mx,0,mz) 2n (0,y,1/2;mx,0,mz) (0,-y,1/2;-mx,0,mz) 2m (0,y,0;mx,0,mz) (0,-y,0;-mx,0,mz) 2l (x,1/2,1/2;0,my,mz) (-x,1/2,1/2;0,-my,mz) 2k (x,1/2,0;0,my,mz) (-x,1/2,0;0,-my,mz) 2j (x,0,1/2;0,my,mz) (-x,0,1/2;0,-my,mz) 2i (x,0,0;0,my,mz) (-x,0,0;0,-my,mz) 1h (1/2,1/2,1/2;0,0,mz) 1g (0,1/2,1/2;0,0,mz) 1f (1/2,0,1/2;0,0,mz) 1e (1/2,1/2,0;0,0,mz) 1d (0,0,1/2;0,0,mz) 1c (0,1/2,0;0,0,mz) 1b (1/2,0,0;0,0,mz) 1a (0,0,0;0,0,mz) ---------- UNI: 16.4 P222.1'_a[P222] BNS: 16.4 P_a222 OG: 16.4.102 P_2a222 OG-BNS transformation: (0,0,0;2a,b,c) Operators (BNS): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (1|1/2,0,0)' (2x|1/2,0,0)' (2y|1/2,0,0)' (2z|1/2,0,0)' Wyckoff positions (BNS): 8u (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (x+1/2,y,z;-mx,-my,-mz) (x+1/2,-y,-z;-mx,my,mz) (-x+1/2,y,-z;mx,-my,mz) (-x+1/2,-y,z;mx,my,-mz) 4t (1/4,1/2,z;mx,my,0) (1/4,1/2,-z;mx,-my,0) (3/4,1/2,-z;-mx,my,0) (3/4,1/2,z;-mx,-my,0) 4s (0,1/2,z;0,0,mz) (0,1/2,-z;0,0,-mz) (1/2,1/2,z;0,0,-mz) (1/2,1/2,-z;0,0,mz) 4r (1/4,0,z;mx,my,0) (1/4,0,-z;mx,-my,0) (3/4,0,-z;-mx,my,0) (3/4,0,z;-mx,-my,0) 4q (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) (1/2,0,z;0,0,-mz) (1/2,0,-z;0,0,mz) 4p (1/4,y,1/2;mx,0,mz) (1/4,-y,1/2;mx,0,-mz) (3/4,y,1/2;-mx,0,-mz) (3/4,-y,1/2;-mx,0,mz) 4o (1/4,y,0;mx,0,mz) (1/4,-y,0;mx,0,-mz) (3/4,y,0;-mx,0,-mz) (3/4,-y,0;-mx,0,mz) 4n (0,y,1/2;0,my,0) (0,-y,1/2;0,-my,0) (1/2,y,1/2;0,-my,0) (1/2,-y,1/2;0,my,0) 4m (0,y,0;0,my,0) (0,-y,0;0,-my,0) (1/2,y,0;0,-my,0) (1/2,-y,0;0,my,0) 4l (x,1/2,1/2;mx,0,0) (-x,1/2,1/2;-mx,0,0) (x+1/2,1/2,1/2;-mx,0,0) (-x+1/2,1/2,1/2;mx,0,0) 4k (x,1/2,0;mx,0,0) (-x,1/2,0;-mx,0,0) (x+1/2,1/2,0;-mx,0,0) (-x+1/2,1/2,0;mx,0,0) 4j (x,0,1/2;mx,0,0) (-x,0,1/2;-mx,0,0) (x+1/2,0,1/2;-mx,0,0) (-x+1/2,0,1/2;mx,0,0) 4i (x,0,0;mx,0,0) (-x,0,0;-mx,0,0) (x+1/2,0,0;-mx,0,0) (-x+1/2,0,0;mx,0,0) 2h (1/4,1/2,1/2;mx,0,0) (3/4,1/2,1/2;-mx,0,0) 2g (0,1/2,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 2f (1/4,0,1/2;mx,0,0) (3/4,0,1/2;-mx,0,0) 2e (1/4,1/2,0;mx,0,0) (3/4,1/2,0;-mx,0,0) 2d (0,0,1/2;0,0,0) (1/2,0,1/2;0,0,0) 2c (0,1/2,0;0,0,0) (1/2,1/2,0;0,0,0) 2b (1/4,0,0;mx,0,0) (3/4,0,0;-mx,0,0) 2a (0,0,0;0,0,0) (1/2,0,0;0,0,0) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (1|1,0,0)' (2x|1,0,0)' (2y|1,0,0)' (2z|1,0,0)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,1,0)+ (0,0,1)+ 8u (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (x+1,y,z;-mx,-my,-mz) (x+1,-y,-z;-mx,my,mz) (-x+1,y,-z;mx,-my,mz) (-x+1,-y,z;mx,my,-mz) 4t (1/2,1/2,z;mx,my,0) (1/2,-1/2,-z;mx,-my,0) (-1/2,1/2,-z;-mx,my,0) (-1/2,-1/2,z;-mx,-my,0) 4s (0,1/2,z;0,0,mz) (0,-1/2,-z;0,0,-mz) (1,1/2,z;0,0,-mz) (1,-1/2,-z;0,0,mz) 4r (1/2,0,z;mx,my,0) (1/2,0,-z;mx,-my,0) (-1/2,0,-z;-mx,my,0) (-1/2,0,z;-mx,-my,0) 4q (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) (1,0,z;0,0,-mz) (1,0,-z;0,0,mz) 4p (1/2,y,1/2;mx,0,mz) (1/2,-y,-1/2;mx,0,-mz) (-1/2,y,-1/2;-mx,0,-mz) (-1/2,-y,1/2;-mx,0,mz) 4o (1/2,y,0;mx,0,mz) (1/2,-y,0;mx,0,-mz) (-1/2,y,0;-mx,0,-mz) (-1/2,-y,0;-mx,0,mz) 4n (0,y,1/2;0,my,0) (0,-y,-1/2;0,-my,0) (1,y,1/2;0,-my,0) (1,-y,-1/2;0,my,0) 4m (0,y,0;0,my,0) (0,-y,0;0,-my,0) (1,y,0;0,-my,0) (1,-y,0;0,my,0) 4l (x,1/2,1/2;mx,0,0) (-x,1/2,-1/2;-mx,0,0) (x+1,1/2,1/2;-mx,0,0) (-x+1,1/2,-1/2;mx,0,0) 4k (x,1/2,0;mx,0,0) (-x,1/2,0;-mx,0,0) (x+1,1/2,0;-mx,0,0) (-x+1,1/2,0;mx,0,0) 4j (x,0,1/2;mx,0,0) (-x,0,-1/2;-mx,0,0) (x+1,0,1/2;-mx,0,0) (-x+1,0,-1/2;mx,0,0) 4i (x,0,0;mx,0,0) (-x,0,0;-mx,0,0) (x+1,0,0;-mx,0,0) (-x+1,0,0;mx,0,0) 2h (1/2,1/2,1/2;mx,0,0) (-1/2,1/2,-1/2;-mx,0,0) 2g (0,1/2,1/2;0,0,0) (1,1/2,1/2;0,0,0) 2f (1/2,0,1/2;mx,0,0) (-1/2,0,-1/2;-mx,0,0) 2e (1/2,1/2,0;mx,0,0) (-1/2,1/2,0;-mx,0,0) 2d (0,0,1/2;0,0,0) (1,0,1/2;0,0,0) 2c (0,1/2,0;0,0,0) (1,1/2,0;0,0,0) 2b (1/2,0,0;mx,0,0) (-1/2,0,0;-mx,0,0) 2a (0,0,0;0,0,0) (1,0,0;0,0,0) ---------- UNI: 16.5 P222.1'_C[C222] BNS: 16.5 P_C222 OG: 21.6.134 C_P222 OG-BNS transformation: (0,0,0;a,b,c) Operators (BNS): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (1|1/2,1/2,0)' (2x|1/2,1/2,0)' (2y|1/2,1/2,0)' (2z|1/2,1/2,0)' Wyckoff positions (BNS): 8l (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x+1/2,y+1/2,-z;mx,-my,mz) (-x+1/2,-y+1/2,z;mx,my,-mz) 4k (1/4,1/4,z;mx,my,0) (1/4,3/4,-z;mx,-my,0) (3/4,1/4,-z;-mx,my,0) (3/4,3/4,z;-mx,-my,0) 4j (0,1/2,z;0,0,mz) (0,1/2,-z;0,0,-mz) (1/2,0,z;0,0,-mz) (1/2,0,-z;0,0,mz) 4i (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) (1/2,1/2,z;0,0,-mz) (1/2,1/2,-z;0,0,mz) 4h (0,y,1/2;0,my,0) (0,-y,1/2;0,-my,0) (1/2,y+1/2,1/2;0,-my,0) (1/2,-y+1/2,1/2;0,my,0) 4g (0,y,0;0,my,0) (0,-y,0;0,-my,0) (1/2,y+1/2,0;0,-my,0) (1/2,-y+1/2,0;0,my,0) 4f (x,0,1/2;mx,0,0) (-x,0,1/2;-mx,0,0) (x+1/2,1/2,1/2;-mx,0,0) (-x+1/2,1/2,1/2;mx,0,0) 4e (x,0,0;mx,0,0) (-x,0,0;-mx,0,0) (x+1/2,1/2,0;-mx,0,0) (-x+1/2,1/2,0;mx,0,0) 2d (0,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 2c (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) 2b (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,0;0,0,0) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (1|1/2,1/2,0)' (2x|1/2,1/2,0)' (2y|1/2,1/2,0)' (2z|1/2,1/2,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8l (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x+1/2,y+1/2,-z;mx,-my,mz) (-x+1/2,-y+1/2,z;mx,my,-mz) 4k (1/4,1/4,z;mx,my,0) (1/4,-1/4,-z;mx,-my,0) (-1/4,1/4,-z;-mx,my,0) (-1/4,-1/4,z;-mx,-my,0) 4j (0,1/2,z;0,0,mz) (0,-1/2,-z;0,0,-mz) (1/2,1,z;0,0,-mz) (1/2,0,-z;0,0,mz) 4i (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) (1/2,1/2,z;0,0,-mz) (1/2,1/2,-z;0,0,mz) 4h (0,y,1/2;0,my,0) (0,-y,-1/2;0,-my,0) (1/2,y+1/2,1/2;0,-my,0) (1/2,-y+1/2,-1/2;0,my,0) 4g (0,y,0;0,my,0) (0,-y,0;0,-my,0) (1/2,y+1/2,0;0,-my,0) (1/2,-y+1/2,0;0,my,0) 4f (x,0,1/2;mx,0,0) (-x,0,-1/2;-mx,0,0) (x+1/2,1/2,1/2;-mx,0,0) (-x+1/2,1/2,-1/2;mx,0,0) 4e (x,0,0;mx,0,0) (-x,0,0;-mx,0,0) (x+1/2,1/2,0;-mx,0,0) (-x+1/2,1/2,0;mx,0,0) 2d (0,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 2c (1/2,0,1/2;0,0,0) (1,1/2,1/2;0,0,0) 2b (0,1/2,0;0,0,0) (1/2,1,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,0;0,0,0) ---------- UNI: 16.6 P222.1'_I[I222] BNS: 16.6 P_I222 OG: 23.4.148 I_P222 OG-BNS transformation: (0,0,0;a,b,c) Operators (BNS): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (1|1/2,1/2,1/2)' (2x|1/2,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' Wyckoff positions (BNS): 8k (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) 4j (0,1/2,z;0,0,mz) (0,1/2,-z;0,0,-mz) (1/2,0,z+1/2;0,0,-mz) (1/2,0,-z+1/2;0,0,mz) 4i (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) (1/2,1/2,-z+1/2;0,0,mz) 4h (1/2,y,0;0,my,0) (1/2,-y,0;0,-my,0) (0,y+1/2,1/2;0,-my,0) (0,-y+1/2,1/2;0,my,0) 4g (0,y,0;0,my,0) (0,-y,0;0,-my,0) (1/2,y+1/2,1/2;0,-my,0) (1/2,-y+1/2,1/2;0,my,0) 4f (x,0,1/2;mx,0,0) (-x,0,1/2;-mx,0,0) (x+1/2,1/2,0;-mx,0,0) (-x+1/2,1/2,0;mx,0,0) 4e (x,0,0;mx,0,0) (-x,0,0;-mx,0,0) (x+1/2,1/2,1/2;-mx,0,0) (-x+1/2,1/2,1/2;mx,0,0) 2d (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) 2c (0,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 2b (1/2,0,0;0,0,0) (0,1/2,1/2;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (1|1/2,1/2,1/2)' (2x|1/2,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8k (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) 4j (0,1/2,z;0,0,mz) (0,-1/2,-z;0,0,-mz) (1/2,1,z+1/2;0,0,-mz) (1/2,0,-z+1/2;0,0,mz) 4i (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) (1/2,1/2,-z+1/2;0,0,mz) 4h (1/2,y,0;0,my,0) (1/2,-y,0;0,-my,0) (1,y+1/2,1/2;0,-my,0) (1,-y+1/2,1/2;0,my,0) 4g (0,y,0;0,my,0) (0,-y,0;0,-my,0) (1/2,y+1/2,1/2;0,-my,0) (1/2,-y+1/2,1/2;0,my,0) 4f (x,0,1/2;mx,0,0) (-x,0,-1/2;-mx,0,0) (x+1/2,1/2,1;-mx,0,0) (-x+1/2,1/2,0;mx,0,0) 4e (x,0,0;mx,0,0) (-x,0,0;-mx,0,0) (x+1/2,1/2,1/2;-mx,0,0) (-x+1/2,1/2,1/2;mx,0,0) 2d (0,1/2,0;0,0,0) (1/2,1,1/2;0,0,0) 2c (0,0,1/2;0,0,0) (1/2,1/2,1;0,0,0) 2b (1/2,0,0;0,0,0) (1,1/2,1/2;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) ---------- UNI: 17.7 P222_1.1 BNS: 17.7 P222_1 OG: 17.1.106 P222_1 Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,1/2) (2z|0,0,1/2) Wyckoff positions: 4e (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z+1/2;-mx,-my,mz) 2d (1/2,y,1/4;0,my,0) (1/2,-y,3/4;0,-my,0) 2c (0,y,1/4;0,my,0) (0,-y,3/4;0,-my,0) 2b (x,1/2,0;mx,0,0) (-x,1/2,1/2;-mx,0,0) 2a (x,0,0;mx,0,0) (-x,0,1/2;-mx,0,0) ---------- UNI: 17.8 P222_1.1' BNS: 17.8 P222_11' OG: 17.2.107 P222_11' Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,1/2) (2z|0,0,1/2) (1|0,0,0)' (2x|0,0,0)' (2y|0,0,1/2)' (2z|0,0,1/2)' Wyckoff positions: 4e (x,y,z;0,0,0) (x,-y,-z;0,0,0) (-x,y,-z+1/2;0,0,0) (-x,-y,z+1/2;0,0,0) 2d (1/2,y,1/4;0,0,0) (1/2,-y,3/4;0,0,0) 2c (0,y,1/4;0,0,0) (0,-y,3/4;0,0,0) 2b (x,1/2,0;0,0,0) (-x,1/2,1/2;0,0,0) 2a (x,0,0;0,0,0) (-x,0,1/2;0,0,0) ---------- UNI: 17.9 P2'2'2_1 BNS: 17.9 P2'2'2_1 OG: 17.3.108 P2'2'2_1 Operators: (1|0,0,0) (2x|0,0,0)' (2y|0,0,1/2)' (2z|0,0,1/2) Wyckoff positions: 4e (x,y,z;mx,my,mz) (x,-y,-z;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,z+1/2;-mx,-my,mz) 2d (1/2,y,1/4;mx,0,mz) (1/2,-y,3/4;-mx,0,mz) 2c (0,y,1/4;mx,0,mz) (0,-y,3/4;-mx,0,mz) 2b (x,1/2,0;0,my,mz) (-x,1/2,1/2;0,-my,mz) 2a (x,0,0;0,my,mz) (-x,0,1/2;0,-my,mz) ---------- UNI: 17.10 P22'2_1' BNS: 17.10 P22'2_1' OG: 17.4.109 P22'2_1' Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,1/2)' (2z|0,0,1/2)' Wyckoff positions: 4e (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,z+1/2;mx,my,-mz) 2d (1/2,y,1/4;mx,0,mz) (1/2,-y,3/4;mx,0,-mz) 2c (0,y,1/4;mx,0,mz) (0,-y,3/4;mx,0,-mz) 2b (x,1/2,0;mx,0,0) (-x,1/2,1/2;mx,0,0) 2a (x,0,0;mx,0,0) (-x,0,1/2;mx,0,0) ---------- UNI: 17.11 P222_1.1'_a[P222_1] BNS: 17.11 P_a222_1 OG: 17.5.110 P_2a222_1 OG-BNS transformation: (0,0,0;2a,b,c) Operators (BNS): (1|0,0,0) (2x|0,0,0) (2y|0,0,1/2) (2z|0,0,1/2) (1|1/2,0,0)' (2x|1/2,0,0)' (2y|1/2,0,1/2)' (2z|1/2,0,1/2)' Wyckoff positions (BNS): 8e (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z+1/2;-mx,-my,mz) (x+1/2,y,z;-mx,-my,-mz) (x+1/2,-y,-z;-mx,my,mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x+1/2,-y,z+1/2;mx,my,-mz) 4d (1/4,y,1/4;mx,0,mz) (1/4,-y,3/4;mx,0,-mz) (3/4,y,1/4;-mx,0,-mz) (3/4,-y,3/4;-mx,0,mz) 4c (0,y,1/4;0,my,0) (0,-y,3/4;0,-my,0) (1/2,y,1/4;0,-my,0) (1/2,-y,3/4;0,my,0) 4b (x,1/2,0;mx,0,0) (-x,1/2,1/2;-mx,0,0) (x+1/2,1/2,0;-mx,0,0) (-x+1/2,1/2,1/2;mx,0,0) 4a (x,0,0;mx,0,0) (-x,0,1/2;-mx,0,0) (x+1/2,0,0;-mx,0,0) (-x+1/2,0,1/2;mx,0,0) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|0,0,1/2) (2z|0,0,1/2) (1|1,0,0)' (2x|1,0,0)' (2y|1,0,1/2)' (2z|1,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,1,0)+ (0,0,1)+ 8e (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z+1/2;-mx,-my,mz) (x+1,y,z;-mx,-my,-mz) (x+1,-y,-z;-mx,my,mz) (-x+1,y,-z+1/2;mx,-my,mz) (-x+1,-y,z+1/2;mx,my,-mz) 4d (1/2,y,1/4;mx,0,mz) (1/2,-y,-1/4;mx,0,-mz) (-1/2,y,1/4;-mx,0,-mz) (-1/2,-y,3/4;-mx,0,mz) 4c (0,y,1/4;0,my,0) (0,-y,-1/4;0,-my,0) (1,y,1/4;0,-my,0) (1,-y,-1/4;0,my,0) 4b (x,1/2,0;mx,0,0) (-x,1/2,1/2;-mx,0,0) (x+1,1/2,0;-mx,0,0) (-x+1,1/2,1/2;mx,0,0) 4a (x,0,0;mx,0,0) (-x,0,1/2;-mx,0,0) (x+1,0,0;-mx,0,0) (-x+1,0,1/2;mx,0,0) ---------- UNI: 17.12 P222_1.1'_c[P222] BNS: 17.12 P_c222_1 OG: 16.7.105 P_2c22'2' OG-BNS transformation: (0,0,0;a,b,2c) Operators (BNS): (1|0,0,0) (2x|0,0,0) (2y|0,0,1/2) (2z|0,0,1/2) (1|0,0,1/2)' (2x|0,0,1/2)' (2y|0,0,0)' (2z|0,0,0)' Wyckoff positions (BNS): 8u (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z+1/2;-mx,-my,mz) (x,y,z+1/2;-mx,-my,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z;mx,my,-mz) 4t (1/2,1/2,z;mx,my,0) (1/2,1/2,-z;mx,-my,0) (1/2,1/2,-z+1/2;-mx,my,0) (1/2,1/2,z+1/2;-mx,-my,0) 4s (0,1/2,z;mx,my,0) (0,1/2,-z;mx,-my,0) (0,1/2,-z+1/2;-mx,my,0) (0,1/2,z+1/2;-mx,-my,0) 4r (1/2,0,z;mx,my,0) (1/2,0,-z;mx,-my,0) (1/2,0,-z+1/2;-mx,my,0) (1/2,0,z+1/2;-mx,-my,0) 4q (0,0,z;mx,my,0) (0,0,-z;mx,-my,0) (0,0,-z+1/2;-mx,my,0) (0,0,z+1/2;-mx,-my,0) 4p (1/2,y,1/4;0,my,0) (1/2,-y,3/4;0,-my,0) (1/2,y,3/4;0,-my,0) (1/2,-y,1/4;0,my,0) 4o (1/2,y,0;mx,0,mz) (1/2,-y,0;mx,0,-mz) (1/2,y,1/2;-mx,0,-mz) (1/2,-y,1/2;-mx,0,mz) 4n (0,y,1/4;0,my,0) (0,-y,3/4;0,-my,0) (0,y,3/4;0,-my,0) (0,-y,1/4;0,my,0) 4m (0,y,0;mx,0,mz) (0,-y,0;mx,0,-mz) (0,y,1/2;-mx,0,-mz) (0,-y,1/2;-mx,0,mz) 4l (x,1/2,1/4;0,my,mz) (x,1/2,3/4;0,-my,-mz) (-x,1/2,1/4;0,my,-mz) (-x,1/2,3/4;0,-my,mz) 4k (x,1/2,0;mx,0,0) (-x,1/2,1/2;-mx,0,0) (x,1/2,1/2;-mx,0,0) (-x,1/2,0;mx,0,0) 4j (x,0,1/4;0,my,mz) (x,0,3/4;0,-my,-mz) (-x,0,1/4;0,my,-mz) (-x,0,3/4;0,-my,mz) 4i (x,0,0;mx,0,0) (-x,0,1/2;-mx,0,0) (x,0,1/2;-mx,0,0) (-x,0,0;mx,0,0) 2h (1/2,1/2,1/4;0,my,0) (1/2,1/2,3/4;0,-my,0) 2g (0,1/2,1/4;0,my,0) (0,1/2,3/4;0,-my,0) 2f (1/2,0,1/4;0,my,0) (1/2,0,3/4;0,-my,0) 2e (1/2,1/2,0;mx,0,0) (1/2,1/2,1/2;-mx,0,0) 2d (0,0,1/4;0,my,0) (0,0,3/4;0,-my,0) 2c (0,1/2,0;mx,0,0) (0,1/2,1/2;-mx,0,0) 2b (1/2,0,0;mx,0,0) (1/2,0,1/2;-mx,0,0) 2a (0,0,0;mx,0,0) (0,0,1/2;-mx,0,0) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|0,0,1) (2z|0,0,1) (1|0,0,1)' (2x|0,0,1)' (2y|0,0,0)' (2z|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 8u (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z+1;-mx,my,-mz) (-x,-y,z+1;-mx,-my,mz) (x,y,z+1;-mx,-my,-mz) (x,-y,-z+1;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z;mx,my,-mz) 4t (1/2,1/2,z;mx,my,0) (1/2,-1/2,-z;mx,-my,0) (-1/2,1/2,-z+1;-mx,my,0) (-1/2,-1/2,z+1;-mx,-my,0) 4s (0,1/2,z;mx,my,0) (0,-1/2,-z;mx,-my,0) (0,1/2,-z+1;-mx,my,0) (0,-1/2,z+1;-mx,-my,0) 4r (1/2,0,z;mx,my,0) (1/2,0,-z;mx,-my,0) (-1/2,0,-z+1;-mx,my,0) (-1/2,0,z+1;-mx,-my,0) 4q (0,0,z;mx,my,0) (0,0,-z;mx,-my,0) (0,0,-z+1;-mx,my,0) (0,0,z+1;-mx,-my,0) 4p (1/2,y,1/2;0,my,0) (1/2,-y,-1/2;0,-my,0) (1/2,y,3/2;0,-my,0) (1/2,-y,1/2;0,my,0) 4o (1/2,y,0;mx,0,mz) (1/2,-y,0;mx,0,-mz) (-1/2,y,1;-mx,0,-mz) (-1/2,-y,1;-mx,0,mz) 4n (0,y,1/2;0,my,0) (0,-y,-1/2;0,-my,0) (0,y,3/2;0,-my,0) (0,-y,1/2;0,my,0) 4m (0,y,0;mx,0,mz) (0,-y,0;mx,0,-mz) (0,y,1;-mx,0,-mz) (0,-y,1;-mx,0,mz) 4l (x,1/2,1/2;0,my,mz) (x,-1/2,-1/2;0,-my,-mz) (-x,1/2,1/2;0,my,-mz) (-x,-1/2,3/2;0,-my,mz) 4k (x,1/2,0;mx,0,0) (-x,1/2,1;-mx,0,0) (x,1/2,1;-mx,0,0) (-x,1/2,0;mx,0,0) 4j (x,0,1/2;0,my,mz) (x,0,-1/2;0,-my,-mz) (-x,0,1/2;0,my,-mz) (-x,0,3/2;0,-my,mz) 4i (x,0,0;mx,0,0) (-x,0,1;-mx,0,0) (x,0,1;-mx,0,0) (-x,0,0;mx,0,0) 2h (1/2,1/2,1/2;0,my,0) (1/2,-1/2,-1/2;0,-my,0) 2g (0,1/2,1/2;0,my,0) (0,-1/2,-1/2;0,-my,0) 2f (1/2,0,1/2;0,my,0) (1/2,0,-1/2;0,-my,0) 2e (1/2,1/2,0;mx,0,0) (-1/2,1/2,1;-mx,0,0) 2d (0,0,1/2;0,my,0) (0,0,-1/2;0,-my,0) 2c (0,1/2,0;mx,0,0) (0,1/2,1;-mx,0,0) 2b (1/2,0,0;mx,0,0) (-1/2,0,1;-mx,0,0) 2a (0,0,0;mx,0,0) (0,0,1;-mx,0,0) ---------- UNI: 17.13 P222_1.1'_B[B222] BNS: 17.13 P_B222_1 OG: 21.10.138 C_P22'2' OG-BNS transformation: (1/4,0,0;a,-c,b) Operators (BNS): (1|0,0,0) (2x|0,0,0) (2y|0,0,1/2) (2z|0,0,1/2) (1|1/2,0,1/2)' (2x|1/2,0,1/2)' (2y|1/2,0,0)' (2z|1/2,0,0)' Wyckoff positions (BNS): 8l (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z+1/2;-mx,-my,mz) (x+1/2,y,z+1/2;-mx,-my,-mz) (x+1/2,-y,-z+1/2;-mx,my,mz) (-x+1/2,y,-z;mx,-my,mz) (-x+1/2,-y,z;mx,my,-mz) 4k (0,y,1/4;0,my,0) (0,-y,3/4;0,-my,0) (1/2,y,3/4;0,-my,0) (1/2,-y,1/4;0,my,0) 4j (3/4,y,1/2;mx,0,mz) (3/4,-y,1/2;mx,0,-mz) (1/4,y,0;-mx,0,-mz) (1/4,-y,0;-mx,0,mz) 4i (3/4,y,0;mx,0,mz) (3/4,-y,0;mx,0,-mz) (1/4,y,1/2;-mx,0,-mz) (1/4,-y,1/2;-mx,0,mz) 4h (3/4,1/2,z;mx,my,0) (3/4,1/2,-z;mx,-my,0) (1/4,1/2,-z+1/2;-mx,my,0) (1/4,1/2,z+1/2;-mx,-my,0) 4g (3/4,0,z;mx,my,0) (3/4,0,-z;mx,-my,0) (1/4,0,-z+1/2;-mx,my,0) (1/4,0,z+1/2;-mx,-my,0) 4f (x,1/2,0;mx,0,0) (-x,1/2,1/2;-mx,0,0) (x+1/2,1/2,1/2;-mx,0,0) (-x+1/2,1/2,0;mx,0,0) 4e (x,0,0;mx,0,0) (-x,0,1/2;-mx,0,0) (x+1/2,0,1/2;-mx,0,0) (-x+1/2,0,0;mx,0,0) 2d (3/4,1/2,0;mx,0,0) (1/4,1/2,1/2;-mx,0,0) 2c (1/4,1/2,0;mx,0,0) (3/4,1/2,1/2;-mx,0,0) 2b (3/4,0,1/2;mx,0,0) (1/4,0,0;-mx,0,0) 2a (3/4,0,0;mx,0,0) (1/4,0,1/2;-mx,0,0) Operators (OG): (1|0,0,0) (2x|0,0,0) (2z|1/2,1/2,0) (2y|1/2,1/2,0) (1|1/2,1/2,0)' (2x|1/2,1/2,0)' (2z|0,0,0)' (2y|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,0,-1)+ (0,1,0)+ 8l (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x+1/2,y+1/2,-z;-mx,my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x,-y,z;mx,my,-mz) (-x,y,-z;mx,-my,mz) 4k (1/4,1/4,z;0,0,mz) (1/4,-1/4,-z;0,0,-mz) (3/4,3/4,z;0,0,-mz) (3/4,1/4,-z;0,0,mz) 4j (0,1/2,z;mx,my,0) (0,-1/2,-z;mx,-my,0) (1/2,0,z;-mx,-my,0) (1/2,1,-z;-mx,my,0) 4i (0,0,z;mx,my,0) (0,0,-z;mx,-my,0) (1/2,1/2,z;-mx,-my,0) (1/2,1/2,-z;-mx,my,0) 4h (0,y,1/2;mx,0,mz) (0,-y,-1/2;mx,0,-mz) (1/2,-y+1/2,1/2;-mx,0,mz) (1/2,y+1/2,-1/2;-mx,0,-mz) 4g (0,y,0;mx,0,mz) (0,-y,0;mx,0,-mz) (1/2,-y+1/2,0;-mx,0,mz) (1/2,y+1/2,0;-mx,0,-mz) 4f (x,0,1/2;mx,0,0) (-x+1/2,1/2,1/2;-mx,0,0) (x+1/2,1/2,1/2;-mx,0,0) (-x,0,1/2;mx,0,0) 4e (x,0,0;mx,0,0) (-x+1/2,1/2,0;-mx,0,0) (x+1/2,1/2,0;-mx,0,0) (-x,0,0;mx,0,0) 2d (0,0,1/2;mx,0,0) (1/2,1/2,1/2;-mx,0,0) 2c (1/2,0,1/2;mx,0,0) (0,1/2,1/2;-mx,0,0) 2b (0,1/2,0;mx,0,0) (1/2,0,0;-mx,0,0) 2a (0,0,0;mx,0,0) (1/2,1/2,0;-mx,0,0) ---------- UNI: 17.14 P222_1.1'_C[C222_1] BNS: 17.14 P_C222_1 OG: 20.5.126 C_P222_1 OG-BNS transformation: (0,0,0;a,b,c) Operators (BNS): (1|0,0,0) (2x|0,0,0) (2y|0,0,1/2) (2z|0,0,1/2) (1|1/2,1/2,0)' (2x|1/2,1/2,0)' (2y|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' Wyckoff positions (BNS): 8c (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z+1/2;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) 4b (0,y,1/4;0,my,0) (0,-y,3/4;0,-my,0) (1/2,y+1/2,1/4;0,-my,0) (1/2,-y+1/2,3/4;0,my,0) 4a (x,0,0;mx,0,0) (-x,0,1/2;-mx,0,0) (x+1/2,1/2,0;-mx,0,0) (-x+1/2,1/2,1/2;mx,0,0) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|0,0,1/2) (2z|0,0,1/2) (1|1/2,1/2,0)' (2x|1/2,1/2,0)' (2y|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8c (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z+1/2;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) 4b (0,y,1/4;0,my,0) (0,-y,-1/4;0,-my,0) (1/2,y+1/2,1/4;0,-my,0) (1/2,-y+1/2,-1/4;0,my,0) 4a (x,0,0;mx,0,0) (-x,0,1/2;-mx,0,0) (x+1/2,1/2,0;-mx,0,0) (-x+1/2,1/2,1/2;mx,0,0) ---------- UNI: 17.15 P222_1.1'_I[I2_12_12_1] BNS: 17.15 P_I222_1 OG: 24.5.154 I_P2_1'2_1'2_1 OG-BNS transformation: (1/4,0,1/4;a,b,c) Operators (BNS): (1|0,0,0) (2x|0,0,0) (2y|0,0,1/2) (2z|0,0,1/2) (1|1/2,1/2,1/2)' (2x|1/2,1/2,1/2)' (2y|1/2,1/2,0)' (2z|1/2,1/2,0)' Wyckoff positions (BNS): 8d (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z+1/2;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z;mx,-my,mz) (-x+1/2,-y+1/2,z;mx,my,-mz) 4c (3/4,1/4,z;mx,my,0) (3/4,3/4,-z;mx,-my,0) (1/4,1/4,-z+1/2;-mx,my,0) (1/4,3/4,z+1/2;-mx,-my,0) 4b (0,y,3/4;0,my,0) (0,-y,1/4;0,-my,0) (1/2,y+1/2,1/4;0,-my,0) (1/2,-y+1/2,3/4;0,my,0) 4a (x,0,0;mx,0,0) (-x,0,1/2;-mx,0,0) (x+1/2,1/2,1/2;-mx,0,0) (-x+1/2,1/2,0;mx,0,0) Operators (OG): (1|0,0,0) (2x|0,0,1/2) (2y|1/2,0,0) (2z|1/2,1,1/2) (1|1/2,1/2,1/2)' (2x|1/2,1/2,1)' (2y|1,1/2,1/2)' (2z|0,1/2,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8d (x,y,z;mx,my,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x+1/2,y,-z;-mx,my,-mz) (-x+1/2,-y+1,z+1/2;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x+1/2,-y+1/2,-z+1;-mx,my,mz) (-x+1,y+1/2,-z+1/2;mx,-my,mz) (-x,-y+1/2,z;mx,my,-mz) 4c (0,1/4,z;mx,my,0) (0,-1/4,-z+1/2;mx,-my,0) (1/2,1/4,-z;-mx,my,0) (1/2,3/4,z+1/2;-mx,-my,0) 4b (1/4,y,0;0,my,0) (1/4,-y,1/2;0,-my,0) (3/4,y+1/2,1/2;0,-my,0) (3/4,-y+1/2,1;0,my,0) 4a (x,0,1/4;mx,0,0) (-x+1/2,0,-1/4;-mx,0,0) (x+1/2,1/2,3/4;-mx,0,0) (-x+1,1/2,1/4;mx,0,0) ---------- UNI: 18.16 P2_12_12.1 BNS: 18.16 P2_12_12 OG: 18.1.113 P2_12_12 Operators: (1|0,0,0) (2x|1/2,1/2,0) (2y|1/2,1/2,0) (2z|0,0,0) Wyckoff positions: 4c (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y+1/2,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) 2b (0,1/2,z;0,0,mz) (1/2,0,-z;0,0,-mz) 2a (0,0,z;0,0,mz) (1/2,1/2,-z;0,0,-mz) ---------- UNI: 18.17 P2_12_12.1' BNS: 18.17 P2_12_121' OG: 18.2.114 P2_12_121' Operators: (1|0,0,0) (2x|1/2,1/2,0) (2y|1/2,1/2,0) (2z|0,0,0) (1|0,0,0)' (2x|1/2,1/2,0)' (2y|1/2,1/2,0)' (2z|0,0,0)' Wyckoff positions: 4c (x,y,z;0,0,0) (x+1/2,-y+1/2,-z;0,0,0) (-x+1/2,y+1/2,-z;0,0,0) (-x,-y,z;0,0,0) 2b (0,1/2,z;0,0,0) (1/2,0,-z;0,0,0) 2a (0,0,z;0,0,0) (1/2,1/2,-z;0,0,0) ---------- UNI: 18.18 P2_1'2_1'2 BNS: 18.18 P2_1'2_1'2 OG: 18.3.115 P2_1'2_1'2 Operators: (1|0,0,0) (2x|1/2,1/2,0)' (2y|1/2,1/2,0)' (2z|0,0,0) Wyckoff positions: 4c (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x+1/2,y+1/2,-z;mx,-my,mz) (-x,-y,z;-mx,-my,mz) 2b (0,1/2,z;0,0,mz) (1/2,0,-z;0,0,mz) 2a (0,0,z;0,0,mz) (1/2,1/2,-z;0,0,mz) ---------- UNI: 18.19 P2_12_1'2' BNS: 18.19 P2_12_1'2' OG: 18.4.116 P2_12_1'2' Operators: (1|0,0,0) (2x|1/2,1/2,0) (2y|1/2,1/2,0)' (2z|0,0,0)' Wyckoff positions: 4c (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y+1/2,-z;mx,-my,mz) (-x,-y,z;mx,my,-mz) 2b (0,1/2,z;mx,my,0) (1/2,0,-z;mx,-my,0) 2a (0,0,z;mx,my,0) (1/2,1/2,-z;mx,-my,0) ---------- UNI: 18.20 P2_12_12.1'_b[P2_122] BNS: 18.20 P_b2_12_12 OG: 17.7.112 P_2a2'2'2_1 OG-BNS transformation: (1/2,0,1/4;c,2a,b) Operators (BNS): (1|0,0,0) (2x|1/2,1/2,0) (2y|1/2,1/2,0) (2z|0,0,0) (1|0,1/2,0)' (2x|1/2,0,0)' (2y|1/2,0,0)' (2z|0,1/2,0)' Wyckoff positions (BNS): 8e (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y+1/2,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (x,y+1/2,z;-mx,-my,-mz) (x+1/2,-y,-z;-mx,my,mz) (-x+1/2,y,-z;mx,-my,mz) (-x,-y+1/2,z;mx,my,-mz) 4d (0,0,z;0,0,mz) (1/2,1/2,-z;0,0,-mz) (0,1/2,z;0,0,-mz) (1/2,0,-z;0,0,mz) 4c (0,3/4,z;mx,my,0) (1/2,3/4,-z;mx,-my,0) (1/2,1/4,-z;-mx,my,0) (0,1/4,z;-mx,-my,0) 4b (3/4,y,1/2;mx,0,mz) (1/4,-y+1/2,1/2;mx,0,-mz) (3/4,y+1/2,1/2;-mx,0,-mz) (1/4,-y,1/2;-mx,0,mz) 4a (3/4,y,0;mx,0,mz) (1/4,-y+1/2,0;mx,0,-mz) (3/4,y+1/2,0;-mx,0,-mz) (1/4,-y,0;-mx,0,mz) Operators (OG): (1|0,0,0) (2z|0,0,1/2) (2x|1,0,0) (2y|1,0,1/2) (1|1,0,0)' (2z|1,0,1/2)' (2x|0,0,0)' (2y|0,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (0,0,1)+ (2,0,0)+ (0,1,0)+ 8e (x,y,z;mx,my,mz) (-x,-y,z+1/2;-mx,-my,mz) (x+1,-y,-z;mx,-my,-mz) (-x+1,y,-z+1/2;-mx,my,-mz) (x+1,y,z;-mx,-my,-mz) (-x+1,-y,z+1/2;mx,my,-mz) (x,-y,-z;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) 4d (1/2,y,1/4;0,my,0) (-1/2,-y,3/4;0,-my,0) (3/2,y,1/4;0,-my,0) (1/2,-y,3/4;0,my,0) 4c (0,y,1/4;mx,0,mz) (0,-y,3/4;-mx,0,mz) (1,-y,-1/4;mx,0,-mz) (1,y,1/4;-mx,0,-mz) 4b (x,1/2,0;0,my,mz) (-x,-1/2,1/2;0,-my,mz) (x+1,-1/2,0;0,-my,-mz) (-x+1,1/2,1/2;0,my,-mz) 4a (x,0,0;0,my,mz) (-x,0,1/2;0,-my,mz) (x+1,0,0;0,-my,-mz) (-x+1,0,1/2;0,my,-mz) ---------- UNI: 18.21 P2_12_12.1'_c[P2_12_12] BNS: 18.21 P_c2_12_12 OG: 18.5.117 P_2c2_12_12 OG-BNS transformation: (0,0,0;a,b,2c) Operators (BNS): (1|0,0,0) (2x|1/2,1/2,0) (2y|1/2,1/2,0) (2z|0,0,0) (1|0,0,1/2)' (2x|1/2,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|0,0,1/2)' Wyckoff positions (BNS): 8c (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y+1/2,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (x,y,z+1/2;-mx,-my,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x,-y,z+1/2;mx,my,-mz) 4b (0,1/2,z;0,0,mz) (1/2,0,-z;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) (1/2,0,-z+1/2;0,0,mz) 4a (0,0,z;0,0,mz) (1/2,1/2,-z;0,0,-mz) (0,0,z+1/2;0,0,-mz) (1/2,1/2,-z+1/2;0,0,mz) Operators (OG): (1|0,0,0) (2x|1/2,1/2,0) (2y|1/2,1/2,0) (2z|0,0,0) (1|0,0,1)' (2x|1/2,1/2,1)' (2y|1/2,1/2,1)' (2z|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 8c (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y+1/2,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (x,y,z+1;-mx,-my,-mz) (x+1/2,-y+1/2,-z+1;-mx,my,mz) (-x+1/2,y+1/2,-z+1;mx,-my,mz) (-x,-y,z+1;mx,my,-mz) 4b (0,1/2,z;0,0,mz) (1/2,0,-z;0,0,-mz) (0,1/2,z+1;0,0,-mz) (1/2,0,-z+1;0,0,mz) 4a (0,0,z;0,0,mz) (1/2,1/2,-z;0,0,-mz) (0,0,z+1;0,0,-mz) (1/2,1/2,-z+1;0,0,mz) ---------- UNI: 18.22 P2_12_12.1'_B[B22_12] BNS: 18.22 P_B2_12_12 OG: 20.7.128 C_P22'2_1' OG-BNS transformation: (1/4,0,0;b,c,a) Operators (BNS): (1|0,0,0) (2x|1/2,1/2,0) (2y|1/2,1/2,0) (2z|0,0,0) (1|1/2,0,1/2)' (2x|0,1/2,1/2)' (2y|0,1/2,1/2)' (2z|1/2,0,1/2)' Wyckoff positions (BNS): 8c (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y+1/2,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (x+1/2,y,z+1/2;-mx,-my,-mz) (x,-y+1/2,-z+1/2;-mx,my,mz) (-x,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y,z+1/2;mx,my,-mz) 4b (x,1/4,3/4;0,my,mz) (x+1/2,1/4,1/4;0,-my,-mz) (-x+1/2,3/4,1/4;0,my,-mz) (-x,3/4,3/4;0,-my,mz) 4a (0,0,z;0,0,mz) (1/2,1/2,-z;0,0,-mz) (1/2,0,z+1/2;0,0,-mz) (0,1/2,-z+1/2;0,0,mz) Operators (OG): (1|0,0,0) (2y|1/2,1/2,1/2) (2z|1/2,1/2,1/2) (2x|0,0,0) (1|1/2,1/2,0)' (2y|0,0,1/2)' (2z|0,0,1/2)' (2x|1/2,1/2,0)' Wyckoff positions (OG): (0,0,0)+ (0,1,0)+ (0,0,1)+ (1,0,0)+ 8c (x,y,z;mx,my,mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z+1/2;-mx,-my,mz) (x,-y,-z;mx,-my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,z+1/2;mx,my,-mz) (x+1/2,-y+1/2,-z;-mx,my,mz) 4b (0,y,1/4;mx,0,mz) (1/2,y+1/2,1/4;-mx,0,-mz) (1/2,-y+1/2,3/4;-mx,0,mz) (0,-y,-1/4;mx,0,-mz) 4a (x,0,0;mx,0,0) (-x+1/2,1/2,1/2;-mx,0,0) (x+1/2,1/2,0;-mx,0,0) (-x,0,1/2;mx,0,0) ---------- UNI: 18.23 P2_12_12.1'_C[C222] BNS: 18.23 P_C2_12_12 OG: 21.9.137 C_P2'2'2 OG-BNS transformation: (0,0,0;a,b,c) Operators (BNS): (1|0,0,0) (2x|1/2,1/2,0) (2y|1/2,1/2,0) (2z|0,0,0) (1|1/2,1/2,0)' (2x|0,0,0)' (2y|0,0,0)' (2z|1/2,1/2,0)' Wyckoff positions (BNS): 8l (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y+1/2,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x+1/2,-y+1/2,z;mx,my,-mz) 4k (1/4,1/4,z;mx,my,0) (3/4,1/4,-z;mx,-my,0) (1/4,3/4,-z;-mx,my,0) (3/4,3/4,z;-mx,-my,0) 4j (0,1/2,z;0,0,mz) (1/2,0,-z;0,0,-mz) (1/2,0,z;0,0,-mz) (0,1/2,-z;0,0,mz) 4i (0,0,z;0,0,mz) (1/2,1/2,-z;0,0,-mz) (1/2,1/2,z;0,0,-mz) (0,0,-z;0,0,mz) 4h (0,y,1/2;mx,0,mz) (1/2,-y+1/2,1/2;mx,0,-mz) (1/2,y+1/2,1/2;-mx,0,-mz) (0,-y,1/2;-mx,0,mz) 4g (0,y,0;mx,0,mz) (1/2,-y+1/2,0;mx,0,-mz) (1/2,y+1/2,0;-mx,0,-mz) (0,-y,0;-mx,0,mz) 4f (x,0,1/2;0,my,mz) (x+1/2,1/2,1/2;0,-my,-mz) (-x+1/2,1/2,1/2;0,my,-mz) (-x,0,1/2;0,-my,mz) 4e (x,0,0;0,my,mz) (x+1/2,1/2,0;0,-my,-mz) (-x+1/2,1/2,0;0,my,-mz) (-x,0,0;0,-my,mz) 2d (0,0,1/2;0,0,mz) (1/2,1/2,1/2;0,0,-mz) 2c (1/2,0,1/2;0,0,mz) (0,1/2,1/2;0,0,-mz) 2b (0,1/2,0;0,0,mz) (1/2,0,0;0,0,-mz) 2a (0,0,0;0,0,mz) (1/2,1/2,0;0,0,-mz) Operators (OG): (1|0,0,0) (2x|1/2,1/2,0) (2y|1/2,1/2,0) (2z|0,0,0) (1|1/2,1/2,0)' (2x|0,0,0)' (2y|0,0,0)' (2z|1/2,1/2,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8l (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y+1/2,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x+1/2,-y+1/2,z;mx,my,-mz) 4k (1/4,1/4,z;mx,my,0) (3/4,1/4,-z;mx,-my,0) (1/4,3/4,-z;-mx,my,0) (-1/4,-1/4,z;-mx,-my,0) 4j (0,1/2,z;0,0,mz) (1/2,0,-z;0,0,-mz) (1/2,1,z;0,0,-mz) (0,-1/2,-z;0,0,mz) 4i (0,0,z;0,0,mz) (1/2,1/2,-z;0,0,-mz) (1/2,1/2,z;0,0,-mz) (0,0,-z;0,0,mz) 4h (0,y,1/2;mx,0,mz) (1/2,-y+1/2,-1/2;mx,0,-mz) (1/2,y+1/2,-1/2;-mx,0,-mz) (0,-y,1/2;-mx,0,mz) 4g (0,y,0;mx,0,mz) (1/2,-y+1/2,0;mx,0,-mz) (1/2,y+1/2,0;-mx,0,-mz) (0,-y,0;-mx,0,mz) 4f (x,0,1/2;0,my,mz) (x+1/2,1/2,-1/2;0,-my,-mz) (-x+1/2,1/2,-1/2;0,my,-mz) (-x,0,1/2;0,-my,mz) 4e (x,0,0;0,my,mz) (x+1/2,1/2,0;0,-my,-mz) (-x+1/2,1/2,0;0,my,-mz) (-x,0,0;0,-my,mz) 2d (0,0,1/2;0,0,mz) (1/2,1/2,-1/2;0,0,-mz) 2c (1/2,0,1/2;0,0,mz) (1,1/2,-1/2;0,0,-mz) 2b (0,1/2,0;0,0,mz) (1/2,0,0;0,0,-mz) 2a (0,0,0;0,0,mz) (1/2,1/2,0;0,0,-mz) ---------- UNI: 18.24 P2_12_12.1'_I[I222] BNS: 18.24 P_I2_12_12 OG: 23.5.149 I_P2'2'2 OG-BNS transformation: (0,0,1/4;a,b,c) Operators (BNS): (1|0,0,0) (2x|1/2,1/2,0) (2y|1/2,1/2,0) (2z|0,0,0) (1|1/2,1/2,1/2)' (2x|0,0,1/2)' (2y|0,0,1/2)' (2z|1/2,1/2,1/2)' Wyckoff positions (BNS): 8k (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y+1/2,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) 4j (0,1/2,z;0,0,mz) (1/2,0,-z;0,0,-mz) (1/2,0,z+1/2;0,0,-mz) (0,1/2,-z+1/2;0,0,mz) 4i (0,0,z;0,0,mz) (1/2,1/2,-z;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) (0,0,-z+1/2;0,0,mz) 4h (1/2,y,3/4;mx,0,mz) (0,-y+1/2,1/4;mx,0,-mz) (0,y+1/2,1/4;-mx,0,-mz) (1/2,-y,3/4;-mx,0,mz) 4g (0,y,3/4;mx,0,mz) (1/2,-y+1/2,1/4;mx,0,-mz) (1/2,y+1/2,1/4;-mx,0,-mz) (0,-y,3/4;-mx,0,mz) 4f (x,0,1/4;0,my,mz) (x+1/2,1/2,3/4;0,-my,-mz) (-x+1/2,1/2,3/4;0,my,-mz) (-x,0,1/4;0,-my,mz) 4e (x,0,3/4;0,my,mz) (x+1/2,1/2,1/4;0,-my,-mz) (-x+1/2,1/2,1/4;0,my,-mz) (-x,0,3/4;0,-my,mz) 2d (0,1/2,3/4;0,0,mz) (1/2,0,1/4;0,0,-mz) 2c (0,0,1/4;0,0,mz) (1/2,1/2,3/4;0,0,-mz) 2b (1/2,0,3/4;0,0,mz) (0,1/2,1/4;0,0,-mz) 2a (0,0,3/4;0,0,mz) (1/2,1/2,1/4;0,0,-mz) Operators (OG): (1|0,0,0) (2x|1/2,1/2,1/2) (2y|1/2,1/2,1/2) (2z|0,0,0) (1|1/2,1/2,1/2)' (2x|0,0,0)' (2y|0,0,0)' (2z|1/2,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8k (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) 4j (0,1/2,z;0,0,mz) (1/2,0,-z+1/2;0,0,-mz) (1/2,1,z+1/2;0,0,-mz) (0,-1/2,-z;0,0,mz) 4i (0,0,z;0,0,mz) (1/2,1/2,-z+1/2;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) (0,0,-z;0,0,mz) 4h (1/2,y,0;mx,0,mz) (1,-y+1/2,1/2;mx,0,-mz) (0,y+1/2,1/2;-mx,0,-mz) (-1/2,-y,0;-mx,0,mz) 4g (0,y,0;mx,0,mz) (1/2,-y+1/2,1/2;mx,0,-mz) (1/2,y+1/2,1/2;-mx,0,-mz) (0,-y,0;-mx,0,mz) 4f (x,0,1/2;0,my,mz) (x+1/2,1/2,0;0,-my,-mz) (-x+1/2,1/2,0;0,my,-mz) (-x,0,1/2;0,-my,mz) 4e (x,0,0;0,my,mz) (x+1/2,1/2,1/2;0,-my,-mz) (-x+1/2,1/2,1/2;0,my,-mz) (-x,0,0;0,-my,mz) 2d (0,1/2,0;0,0,mz) (1/2,0,1/2;0,0,-mz) 2c (0,0,1/2;0,0,mz) (1/2,1/2,0;0,0,-mz) 2b (1/2,0,0;0,0,mz) (1,1/2,1/2;0,0,-mz) 2a (0,0,0;0,0,mz) (1/2,1/2,1/2;0,0,-mz) ---------- UNI: 19.25 P2_12_12_1.1 BNS: 19.25 P2_12_12_1 OG: 19.1.119 P2_12_12_1 Operators: (1|0,0,0) (2x|1/2,1/2,0) (2y|0,1/2,1/2) (2z|1/2,0,1/2) Wyckoff positions: 4a (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) ---------- UNI: 19.26 P2_12_12_1.1' BNS: 19.26 P2_12_12_11' OG: 19.2.120 P2_12_12_11' Operators: (1|0,0,0) (2x|1/2,1/2,0) (2y|0,1/2,1/2) (2z|1/2,0,1/2) (1|0,0,0)' (2x|1/2,1/2,0)' (2y|0,1/2,1/2)' (2z|1/2,0,1/2)' Wyckoff positions: 4a (x,y,z;0,0,0) (x+1/2,-y+1/2,-z;0,0,0) (-x,y+1/2,-z+1/2;0,0,0) (-x+1/2,-y,z+1/2;0,0,0) ---------- UNI: 19.27 P2_1'2_1'2_1 BNS: 19.27 P2_1'2_1'2_1 OG: 19.3.121 P2_1'2_1'2_1 Operators: (1|0,0,0) (2x|1/2,1/2,0)' (2y|0,1/2,1/2)' (2z|1/2,0,1/2) Wyckoff positions: 4a (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) ---------- UNI: 19.28 P2_12_12_1.1'_c[P2_12_12] BNS: 19.28 P_c2_12_12_1 OG: 18.6.118 P_2c2_12_1'2' OG-BNS transformation: (1/4,0,0;a,b,2c) Operators (BNS): (1|0,0,0) (2x|1/2,1/2,0) (2y|0,1/2,1/2) (2z|1/2,0,1/2) (1|0,0,1/2)' (2x|1/2,1/2,1/2)' (2y|0,1/2,0)' (2z|1/2,0,0)' Wyckoff positions (BNS): 8c (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (x,y,z+1/2;-mx,-my,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x,y+1/2,-z;mx,-my,mz) (-x+1/2,-y,z;mx,my,-mz) 4b (3/4,1/2,z;mx,my,0) (1/4,0,-z;mx,-my,0) (1/4,0,-z+1/2;-mx,my,0) (3/4,1/2,z+1/2;-mx,-my,0) 4a (3/4,0,z;mx,my,0) (1/4,1/2,-z;mx,-my,0) (1/4,1/2,-z+1/2;-mx,my,0) (3/4,0,z+1/2;-mx,-my,0) Operators (OG): (1|0,0,0) (2x|1/2,1/2,0) (2y|1/2,1/2,1) (2z|0,0,1) (1|0,0,1)' (2x|1/2,1/2,1)' (2y|1/2,1/2,0)' (2z|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 8c (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y+1/2,-z+1;-mx,my,-mz) (-x,-y,z+1;-mx,-my,mz) (x,y,z+1;-mx,-my,-mz) (x+1/2,-y+1/2,-z+1;-mx,my,mz) (-x+1/2,y+1/2,-z;mx,-my,mz) (-x,-y,z;mx,my,-mz) 4b (0,1/2,z;mx,my,0) (1/2,0,-z;mx,-my,0) (1/2,1,-z+1;-mx,my,0) (0,-1/2,z+1;-mx,-my,0) 4a (0,0,z;mx,my,0) (1/2,1/2,-z;mx,-my,0) (1/2,1/2,-z+1;-mx,my,0) (0,0,z+1;-mx,-my,0) ---------- UNI: 19.29 P2_12_12_1.1'_C[C222_1] BNS: 19.29 P_C2_12_12_1 OG: 20.6.127 C_P2'2'2_1 OG-BNS transformation: (1/4,0,0;a,b,c) Operators (BNS): (1|0,0,0) (2x|1/2,1/2,0) (2y|0,1/2,1/2) (2z|1/2,0,1/2) (1|1/2,1/2,0)' (2x|0,0,0)' (2y|1/2,0,1/2)' (2z|0,1/2,1/2)' Wyckoff positions (BNS): 8c (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x,-y,-z;-mx,my,mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x,-y+1/2,z+1/2;mx,my,-mz) 4b (3/4,y,1/4;mx,0,mz) (1/4,-y+1/2,3/4;mx,0,-mz) (1/4,y+1/2,1/4;-mx,0,-mz) (3/4,-y,3/4;-mx,0,mz) 4a (x,0,0;0,my,mz) (x+1/2,1/2,0;0,-my,-mz) (-x,1/2,1/2;0,my,-mz) (-x+1/2,0,1/2;0,-my,mz) Operators (OG): (1|0,0,0) (2x|1/2,1/2,0) (2y|1/2,1/2,1/2) (2z|0,0,1/2) (1|1/2,1/2,0)' (2x|0,0,0)' (2y|0,0,1/2)' (2z|1/2,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8c (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,z+1/2;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x,-y,-z;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) 4b (0,y,1/4;mx,0,mz) (1/2,-y+1/2,-1/4;mx,0,-mz) (1/2,y+1/2,1/4;-mx,0,-mz) (0,-y,3/4;-mx,0,mz) 4a (x,0,0;0,my,mz) (x+1/2,1/2,0;0,-my,-mz) (-x+1/2,1/2,1/2;0,my,-mz) (-x,0,1/2;0,-my,mz) ---------- UNI: 19.30 P2_12_12_1.1'_I[I2_12_12_1] BNS: 19.30 P_I2_12_12_1 OG: 24.4.153 I_P2_12_12_1 OG-BNS transformation: (0,0,0;a,b,c) Operators (BNS): (1|0,0,0) (2x|1/2,1/2,0) (2y|0,1/2,1/2) (2z|1/2,0,1/2) (1|1/2,1/2,1/2)' (2x|0,0,1/2)' (2y|1/2,0,0)' (2z|0,1/2,0)' Wyckoff positions (BNS): 8d (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x+1/2,y,-z;mx,-my,mz) (-x,-y+1/2,z;mx,my,-mz) 4c (0,1/4,z;mx,my,0) (1/2,1/4,-z;mx,-my,0) (0,3/4,-z+1/2;-mx,my,0) (1/2,3/4,z+1/2;-mx,-my,0) 4b (1/4,y,0;mx,0,mz) (3/4,-y+1/2,0;mx,0,-mz) (3/4,y+1/2,1/2;-mx,0,-mz) (1/4,-y,1/2;-mx,0,mz) 4a (x,0,1/4;0,my,mz) (x+1/2,1/2,3/4;0,-my,-mz) (-x,1/2,1/4;0,my,-mz) (-x+1/2,0,3/4;0,-my,mz) Operators (OG): (1|0,0,0) (2x|1/2,1/2,1) (2y|1,1/2,1/2) (2z|1/2,1,1/2) (1|1/2,1/2,1/2)' (2x|0,0,1/2)' (2y|1/2,0,0)' (2z|0,1/2,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8d (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z+1;mx,-my,-mz) (-x+1,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1,z+1/2;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x+1/2,y,-z;mx,-my,mz) (-x,-y+1/2,z;mx,my,-mz) 4c (0,1/4,z;mx,my,0) (1/2,1/4,-z+1;mx,-my,0) (1,3/4,-z+1/2;-mx,my,0) (1/2,3/4,z+1/2;-mx,-my,0) 4b (1/4,y,0;mx,0,mz) (3/4,-y+1/2,1;mx,0,-mz) (3/4,y+1/2,1/2;-mx,0,-mz) (1/4,-y+1,1/2;-mx,0,mz) 4a (x,0,1/4;0,my,mz) (x+1/2,1/2,3/4;0,-my,-mz) (-x+1,1/2,1/4;0,my,-mz) (-x+1/2,1,3/4;0,-my,mz) ---------- UNI: 20.31 C222_1.1 BNS: 20.31 C222_1 OG: 20.1.122 C222_1 Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,1/2) (2z|0,0,1/2) Wyckoff positions: (0,0,0)+ (1/2,1/2,0)+ 8c (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z+1/2;-mx,-my,mz) 4b (0,y,1/4;0,my,0) (0,-y,3/4;0,-my,0) 4a (x,0,0;mx,0,0) (-x,0,1/2;-mx,0,0) ---------- UNI: 20.32 C222_1.1' BNS: 20.32 C222_11' OG: 20.2.123 C222_11' Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,1/2) (2z|0,0,1/2) (1|0,0,0)' (2x|0,0,0)' (2y|0,0,1/2)' (2z|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1/2,1/2,0)+ 8c (x,y,z;0,0,0) (x,-y,-z;0,0,0) (-x,y,-z+1/2;0,0,0) (-x,-y,z+1/2;0,0,0) 4b (0,y,1/4;0,0,0) (0,-y,3/4;0,0,0) 4a (x,0,0;0,0,0) (-x,0,1/2;0,0,0) ---------- UNI: 20.33 C2'2'2_1 BNS: 20.33 C2'2'2_1 OG: 20.3.124 C2'2'2_1 Operators: (1|0,0,0) (2x|0,0,0)' (2y|0,0,1/2)' (2z|0,0,1/2) Wyckoff positions: (0,0,0)+ (1/2,1/2,0)+ 8c (x,y,z;mx,my,mz) (x,-y,-z;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,z+1/2;-mx,-my,mz) 4b (0,y,1/4;mx,0,mz) (0,-y,3/4;-mx,0,mz) 4a (x,0,0;0,my,mz) (-x,0,1/2;0,-my,mz) ---------- UNI: 20.34 C22'2_1' BNS: 20.34 C22'2_1' OG: 20.4.125 C22'2_1' Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,1/2)' (2z|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1/2,1/2,0)+ 8c (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,z+1/2;mx,my,-mz) 4b (0,y,1/4;mx,0,mz) (0,-y,3/4;mx,0,-mz) 4a (x,0,0;mx,0,0) (-x,0,1/2;mx,0,0) ---------- UNI: 20.35 C222_1.1'_c[C222] BNS: 20.35 C_c222_1 OG: 21.8.136 C_2c22'2' OG-BNS transformation: (0,0,0;a,b,2c) Operators (BNS): (1|0,0,0) (2x|0,0,0) (2y|0,0,1/2) (2z|0,0,1/2) (1|0,0,1/2)' (2x|0,0,1/2)' (2y|0,0,0)' (2z|0,0,0)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,0)+ 16l (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z+1/2;-mx,-my,mz) (x,y,z+1/2;-mx,-my,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z;mx,my,-mz) 8k (1/4,1/4,z;mx,my,0) (1/4,3/4,-z;mx,-my,0) (3/4,1/4,-z+1/2;-mx,my,0) (3/4,3/4,z+1/2;-mx,-my,0) 8j (0,1/2,z;mx,my,0) (0,1/2,-z;mx,-my,0) (0,1/2,-z+1/2;-mx,my,0) (0,1/2,z+1/2;-mx,-my,0) 8i (0,0,z;mx,my,0) (0,0,-z;mx,-my,0) (0,0,-z+1/2;-mx,my,0) (0,0,z+1/2;-mx,-my,0) 8h (0,y,1/4;0,my,0) (0,-y,3/4;0,-my,0) (0,y,3/4;0,-my,0) (0,-y,1/4;0,my,0) 8g (0,y,0;mx,0,mz) (0,-y,0;mx,0,-mz) (0,y,1/2;-mx,0,-mz) (0,-y,1/2;-mx,0,mz) 8f (x,0,1/4;0,my,mz) (x,0,3/4;0,-my,-mz) (-x,0,1/4;0,my,-mz) (-x,0,3/4;0,-my,mz) 8e (x,0,0;mx,0,0) (-x,0,1/2;-mx,0,0) (x,0,1/2;-mx,0,0) (-x,0,0;mx,0,0) 4d (0,0,1/4;0,my,0) (0,0,3/4;0,-my,0) 4c (1/2,0,1/4;0,my,0) (1/2,0,3/4;0,-my,0) 4b (0,1/2,0;mx,0,0) (0,1/2,1/2;-mx,0,0) 4a (0,0,0;mx,0,0) (0,0,1/2;-mx,0,0) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|0,0,1) (2z|0,0,1) (1|0,0,1)' (2x|0,0,1)' (2y|0,0,0)' (2z|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ (1/2,1/2,0)+ 16l (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z+1;-mx,my,-mz) (-x,-y,z+1;-mx,-my,mz) (x,y,z+1;-mx,-my,-mz) (x,-y,-z+1;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z;mx,my,-mz) 8k (1/4,1/4,z;mx,my,0) (1/4,-1/4,-z;mx,-my,0) (-1/4,1/4,-z+1;-mx,my,0) (-1/4,-1/4,z+1;-mx,-my,0) 8j (0,1/2,z;mx,my,0) (0,-1/2,-z;mx,-my,0) (0,1/2,-z+1;-mx,my,0) (0,-1/2,z+1;-mx,-my,0) 8i (0,0,z;mx,my,0) (0,0,-z;mx,-my,0) (0,0,-z+1;-mx,my,0) (0,0,z+1;-mx,-my,0) 8h (0,y,1/2;0,my,0) (0,-y,-1/2;0,-my,0) (0,y,3/2;0,-my,0) (0,-y,1/2;0,my,0) 8g (0,y,0;mx,0,mz) (0,-y,0;mx,0,-mz) (0,y,1;-mx,0,-mz) (0,-y,1;-mx,0,mz) 8f (x,0,1/2;0,my,mz) (x,0,-1/2;0,-my,-mz) (-x,0,1/2;0,my,-mz) (-x,0,3/2;0,-my,mz) 8e (x,0,0;mx,0,0) (-x,0,1;-mx,0,0) (x,0,1;-mx,0,0) (-x,0,0;mx,0,0) 4d (0,0,1/2;0,my,0) (0,0,-1/2;0,-my,0) 4c (1/2,0,1/2;0,my,0) (1/2,0,-1/2;0,-my,0) 4b (0,1/2,0;mx,0,0) (0,1/2,1;-mx,0,0) 4a (0,0,0;mx,0,0) (0,0,1;-mx,0,0) ---------- UNI: 20.36 C222_1.1'_a[P222_1] BNS: 20.36 C_a222_1 OG: 17.6.111 P_C222_1 OG-BNS transformation: (0,0,0;2a,2b,c) Operators (BNS): (1|0,0,0) (2x|0,0,0) (2y|0,0,1/2) (2z|0,0,1/2) (1|1/2,0,0)' (2x|1/2,0,0)' (2y|1/2,0,1/2)' (2z|1/2,0,1/2)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,0)+ 16e (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z+1/2;-mx,-my,mz) (x+1/2,y,z;-mx,-my,-mz) (x+1/2,-y,-z;-mx,my,mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x+1/2,-y,z+1/2;mx,my,-mz) 8d (1/4,y,1/4;mx,0,mz) (1/4,-y,3/4;mx,0,-mz) (3/4,y,1/4;-mx,0,-mz) (3/4,-y,3/4;-mx,0,mz) 8c (0,y,1/4;0,my,0) (0,-y,3/4;0,-my,0) (1/2,y,1/4;0,-my,0) (1/2,-y,3/4;0,my,0) 8b (x,1/4,0;0,my,mz) (x,3/4,0;0,-my,-mz) (-x,1/4,1/2;0,my,-mz) (-x,3/4,1/2;0,-my,mz) 8a (x,0,0;mx,0,0) (-x,0,1/2;-mx,0,0) (x+1/2,0,0;-mx,0,0) (-x+1/2,0,1/2;mx,0,0) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|0,0,1/2) (2z|0,0,1/2) (1|1,0,0)' (2x|1,0,0)' (2y|1,0,1/2)' (2z|1,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,2,0)+ (0,0,1)+ (1,1,0)+ 16e (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z+1/2;-mx,-my,mz) (x+1,y,z;-mx,-my,-mz) (x+1,-y,-z;-mx,my,mz) (-x+1,y,-z+1/2;mx,-my,mz) (-x+1,-y,z+1/2;mx,my,-mz) 8d (1/2,y,1/4;mx,0,mz) (1/2,-y,-1/4;mx,0,-mz) (-1/2,y,1/4;-mx,0,-mz) (-1/2,-y,3/4;-mx,0,mz) 8c (0,y,1/4;0,my,0) (0,-y,-1/4;0,-my,0) (1,y,1/4;0,-my,0) (1,-y,-1/4;0,my,0) 8b (x,1/2,0;0,my,mz) (x,-1/2,0;0,-my,-mz) (-x,1/2,1/2;0,my,-mz) (-x,-1/2,1/2;0,-my,mz) 8a (x,0,0;mx,0,0) (-x,0,1/2;-mx,0,0) (x+1,0,0;-mx,0,0) (-x+1,0,1/2;mx,0,0) ---------- UNI: 20.37 C222_1.1'_A[F222] BNS: 20.37 C_A222_1 OG: 22.5.144 F_C22'2' OG-BNS transformation: (1/4,0,0;a,b,c) Operators (BNS): (1|0,0,0) (2x|0,0,0) (2y|0,0,1/2) (2z|0,0,1/2) (1|0,1/2,1/2)' (2x|1/2,0,1/2)' (2y|1/2,0,0)' (2z|1/2,0,0)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,0)+ 16k (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z+1/2;-mx,-my,mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (x+1/2,-y,-z+1/2;-mx,my,mz) (-x+1/2,y,-z;mx,-my,mz) (-x+1/2,-y,z;mx,my,-mz) 8j (x,1/4,1/4;0,my,mz) (x,3/4,3/4;0,-my,-mz) (-x,1/4,1/4;0,my,-mz) (-x,3/4,3/4;0,-my,mz) 8i (0,y,1/4;0,my,0) (0,-y,3/4;0,-my,0) (0,y+1/2,3/4;0,-my,0) (1/2,-y,1/4;0,my,0) 8h (0,1/4,z;mx,my,0) (0,3/4,-z;mx,-my,0) (0,1/4,-z+1/2;-mx,my,0) (0,3/4,z+1/2;-mx,-my,0) 8g (3/4,0,z;mx,my,0) (3/4,0,-z;mx,-my,0) (1/4,0,-z+1/2;-mx,my,0) (1/4,0,z+1/2;-mx,-my,0) 8f (3/4,y,0;mx,0,mz) (3/4,-y,0;mx,0,-mz) (1/4,y,1/2;-mx,0,-mz) (1/4,-y,1/2;-mx,0,mz) 8e (x,0,0;mx,0,0) (-x,0,1/2;-mx,0,0) (x,1/2,1/2;-mx,0,0) (-x+1/2,0,0;mx,0,0) 4d (0,1/4,3/4;0,my,0) (0,3/4,1/4;0,-my,0) 4c (0,1/4,1/4;0,my,0) (0,3/4,3/4;0,-my,0) 4b (3/4,0,1/2;mx,0,0) (1/4,0,0;-mx,0,0) 4a (3/4,0,0;mx,0,0) (1/4,0,1/2;-mx,0,0) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|1/2,0,1/2) (2z|1/2,0,1/2) (1|1/2,0,1/2)' (2x|1/2,0,1/2)' (2y|0,0,0)' (2z|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,0)+ 16k (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (x+1/2,y,z+1/2;-mx,-my,-mz) (x+1/2,-y,-z+1/2;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z;mx,my,-mz) 8j (x,1/4,1/4;0,my,mz) (x,-1/4,-1/4;0,-my,-mz) (-x+1/2,1/4,1/4;0,my,-mz) (-x+1/2,-1/4,3/4;0,-my,mz) 8i (1/4,y,1/4;0,my,0) (1/4,-y,-1/4;0,-my,0) (3/4,y,3/4;0,-my,0) (3/4,-y,1/4;0,my,0) 8h (1/4,1/4,z;mx,my,0) (1/4,-1/4,-z;mx,-my,0) (1/4,1/4,-z+1/2;-mx,my,0) (1/4,-1/4,z+1/2;-mx,-my,0) 8g (0,0,z;mx,my,0) (0,0,-z;mx,-my,0) (1/2,0,-z+1/2;-mx,my,0) (1/2,0,z+1/2;-mx,-my,0) 8f (0,y,0;mx,0,mz) (0,-y,0;mx,0,-mz) (1/2,y,1/2;-mx,0,-mz) (1/2,-y,1/2;-mx,0,mz) 8e (x,0,0;mx,0,0) (-x+1/2,0,1/2;-mx,0,0) (x+1/2,0,1/2;-mx,0,0) (-x,0,0;mx,0,0) 4d (1/4,1/4,3/4;0,my,0) (1/4,-1/4,-3/4;0,-my,0) 4c (1/4,1/4,1/4;0,my,0) (1/4,-1/4,-1/4;0,-my,0) 4b (0,0,1/2;mx,0,0) (1/2,0,0;-mx,0,0) 4a (0,0,0;mx,0,0) (1/2,0,1/2;-mx,0,0) ---------- UNI: 21.38 C222.1 BNS: 21.38 C222 OG: 21.1.129 C222 Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) Wyckoff positions: (0,0,0)+ (1/2,1/2,0)+ 8l (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) 4k (1/4,1/4,z;0,0,mz) (1/4,3/4,-z;0,0,-mz) 4j (0,1/2,z;0,0,mz) (0,1/2,-z;0,0,-mz) 4i (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) 4h (0,y,1/2;0,my,0) (0,-y,1/2;0,-my,0) 4g (0,y,0;0,my,0) (0,-y,0;0,-my,0) 4f (x,0,1/2;mx,0,0) (-x,0,1/2;-mx,0,0) 4e (x,0,0;mx,0,0) (-x,0,0;-mx,0,0) 2d (0,0,1/2;0,0,0) 2c (1/2,0,1/2;0,0,0) 2b (0,1/2,0;0,0,0) 2a (0,0,0;0,0,0) ---------- UNI: 21.39 C222.1' BNS: 21.39 C2221' OG: 21.2.130 C2221' Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (1|0,0,0)' (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,0)' Wyckoff positions: (0,0,0)+ (1/2,1/2,0)+ 8l (x,y,z;0,0,0) (x,-y,-z;0,0,0) (-x,y,-z;0,0,0) (-x,-y,z;0,0,0) 4k (1/4,1/4,z;0,0,0) (1/4,3/4,-z;0,0,0) 4j (0,1/2,z;0,0,0) (0,1/2,-z;0,0,0) 4i (0,0,z;0,0,0) (0,0,-z;0,0,0) 4h (0,y,1/2;0,0,0) (0,-y,1/2;0,0,0) 4g (0,y,0;0,0,0) (0,-y,0;0,0,0) 4f (x,0,1/2;0,0,0) (-x,0,1/2;0,0,0) 4e (x,0,0;0,0,0) (-x,0,0;0,0,0) 2d (0,0,1/2;0,0,0) 2c (1/2,0,1/2;0,0,0) 2b (0,1/2,0;0,0,0) 2a (0,0,0;0,0,0) ---------- UNI: 21.40 C2'2'2 BNS: 21.40 C2'2'2 OG: 21.3.131 C2'2'2 Operators: (1|0,0,0) (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,0) Wyckoff positions: (0,0,0)+ (1/2,1/2,0)+ 8l (x,y,z;mx,my,mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z;-mx,-my,mz) 4k (1/4,1/4,z;0,0,mz) (1/4,3/4,-z;0,0,mz) 4j (0,1/2,z;0,0,mz) (0,1/2,-z;0,0,mz) 4i (0,0,z;0,0,mz) (0,0,-z;0,0,mz) 4h (0,y,1/2;mx,0,mz) (0,-y,1/2;-mx,0,mz) 4g (0,y,0;mx,0,mz) (0,-y,0;-mx,0,mz) 4f (x,0,1/2;0,my,mz) (-x,0,1/2;0,-my,mz) 4e (x,0,0;0,my,mz) (-x,0,0;0,-my,mz) 2d (0,0,1/2;0,0,mz) 2c (1/2,0,1/2;0,0,mz) 2b (0,1/2,0;0,0,mz) 2a (0,0,0;0,0,mz) ---------- UNI: 21.41 C22'2' BNS: 21.41 C22'2' OG: 21.4.132 C22'2' Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,0)' (2z|0,0,0)' Wyckoff positions: (0,0,0)+ (1/2,1/2,0)+ 8l (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;mx,-my,mz) (-x,-y,z;mx,my,-mz) 4k (1/4,1/4,z;mx,my,0) (1/4,3/4,-z;mx,-my,0) 4j (0,1/2,z;mx,my,0) (0,1/2,-z;mx,-my,0) 4i (0,0,z;mx,my,0) (0,0,-z;mx,-my,0) 4h (0,y,1/2;mx,0,mz) (0,-y,1/2;mx,0,-mz) 4g (0,y,0;mx,0,mz) (0,-y,0;mx,0,-mz) 4f (x,0,1/2;mx,0,0) (-x,0,1/2;mx,0,0) 4e (x,0,0;mx,0,0) (-x,0,0;mx,0,0) 2d (0,0,1/2;mx,0,0) 2c (1/2,0,1/2;mx,0,0) 2b (0,1/2,0;mx,0,0) 2a (0,0,0;mx,0,0) ---------- UNI: 21.42 C222.1'_c[C222] BNS: 21.42 C_c222 OG: 21.5.133 C_2c222 OG-BNS transformation: (0,0,0;a,b,2c) Operators (BNS): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (1|0,0,1/2)' (2x|0,0,1/2)' (2y|0,0,1/2)' (2z|0,0,1/2)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,0)+ 16l (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (x,y,z+1/2;-mx,-my,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,z+1/2;mx,my,-mz) 8k (1/4,1/4,z;0,0,mz) (1/4,3/4,-z;0,0,-mz) (1/4,1/4,z+1/2;0,0,-mz) (1/4,3/4,-z+1/2;0,0,mz) 8j (0,1/2,z;0,0,mz) (0,1/2,-z;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) (0,1/2,-z+1/2;0,0,mz) 8i (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) (0,0,z+1/2;0,0,-mz) (0,0,-z+1/2;0,0,mz) 8h (0,y,1/4;mx,0,mz) (0,-y,3/4;mx,0,-mz) (0,y,3/4;-mx,0,-mz) (0,-y,1/4;-mx,0,mz) 8g (0,y,0;0,my,0) (0,-y,0;0,-my,0) (0,y,1/2;0,-my,0) (0,-y,1/2;0,my,0) 8f (x,0,1/4;0,my,mz) (x,0,3/4;0,-my,-mz) (-x,0,3/4;0,my,-mz) (-x,0,1/4;0,-my,mz) 8e (x,0,0;mx,0,0) (-x,0,0;-mx,0,0) (x,0,1/2;-mx,0,0) (-x,0,1/2;mx,0,0) 4d (0,0,1/4;0,0,mz) (0,0,3/4;0,0,-mz) 4c (1/2,0,1/4;0,0,mz) (1/2,0,3/4;0,0,-mz) 4b (0,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) 4a (0,0,0;0,0,0) (0,0,1/2;0,0,0) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (1|0,0,1)' (2x|0,0,1)' (2y|0,0,1)' (2z|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ (1/2,1/2,0)+ 16l (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (x,y,z+1;-mx,-my,-mz) (x,-y,-z+1;-mx,my,mz) (-x,y,-z+1;mx,-my,mz) (-x,-y,z+1;mx,my,-mz) 8k (1/4,1/4,z;0,0,mz) (1/4,-1/4,-z;0,0,-mz) (1/4,1/4,z+1;0,0,-mz) (1/4,-1/4,-z+1;0,0,mz) 8j (0,1/2,z;0,0,mz) (0,-1/2,-z;0,0,-mz) (0,1/2,z+1;0,0,-mz) (0,-1/2,-z+1;0,0,mz) 8i (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) (0,0,z+1;0,0,-mz) (0,0,-z+1;0,0,mz) 8h (0,y,1/2;mx,0,mz) (0,-y,-1/2;mx,0,-mz) (0,y,-1/2;-mx,0,-mz) (0,-y,1/2;-mx,0,mz) 8g (0,y,0;0,my,0) (0,-y,0;0,-my,0) (0,y,1;0,-my,0) (0,-y,1;0,my,0) 8f (x,0,1/2;0,my,mz) (x,0,-1/2;0,-my,-mz) (-x,0,-1/2;0,my,-mz) (-x,0,1/2;0,-my,mz) 8e (x,0,0;mx,0,0) (-x,0,0;-mx,0,0) (x,0,1;-mx,0,0) (-x,0,1;mx,0,0) 4d (0,0,1/2;0,0,mz) (0,0,-1/2;0,0,-mz) 4c (1/2,0,1/2;0,0,mz) (1/2,0,-1/2;0,0,-mz) 4b (0,1/2,0;0,0,0) (0,1/2,1;0,0,0) 4a (0,0,0;0,0,0) (0,0,1;0,0,0) ---------- UNI: 21.43 C222.1'_a[P222] BNS: 21.43 C_a222 OG: 16.5.103 P_C222 OG-BNS transformation: (0,0,0;2a,2b,c) Operators (BNS): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (1|1/2,0,0)' (2x|1/2,0,0)' (2y|1/2,0,0)' (2z|1/2,0,0)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,0)+ 16u (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (x+1/2,y,z;-mx,-my,-mz) (x+1/2,-y,-z;-mx,my,mz) (-x+1/2,y,-z;mx,-my,mz) (-x+1/2,-y,z;mx,my,-mz) 8t (1/4,1/4,z;0,0,mz) (1/4,3/4,-z;0,0,-mz) (3/4,1/4,z;0,0,-mz) (3/4,3/4,-z;0,0,mz) 8s (0,1/4,z;mx,my,0) (0,3/4,-z;mx,-my,0) (0,1/4,-z;-mx,my,0) (0,3/4,z;-mx,-my,0) 8r (1/4,0,z;mx,my,0) (1/4,0,-z;mx,-my,0) (3/4,0,-z;-mx,my,0) (3/4,0,z;-mx,-my,0) 8q (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) (1/2,0,z;0,0,-mz) (1/2,0,-z;0,0,mz) 8p (1/4,y,1/2;mx,0,mz) (1/4,-y,1/2;mx,0,-mz) (3/4,y,1/2;-mx,0,-mz) (3/4,-y,1/2;-mx,0,mz) 8o (1/4,y,0;mx,0,mz) (1/4,-y,0;mx,0,-mz) (3/4,y,0;-mx,0,-mz) (3/4,-y,0;-mx,0,mz) 8n (0,y,1/2;0,my,0) (0,-y,1/2;0,-my,0) (1/2,y,1/2;0,-my,0) (1/2,-y,1/2;0,my,0) 8m (0,y,0;0,my,0) (0,-y,0;0,-my,0) (1/2,y,0;0,-my,0) (1/2,-y,0;0,my,0) 8l (x,1/4,1/2;0,my,mz) (x,3/4,1/2;0,-my,-mz) (-x,1/4,1/2;0,my,-mz) (-x,3/4,1/2;0,-my,mz) 8k (x,1/4,0;0,my,mz) (x,3/4,0;0,-my,-mz) (-x,1/4,0;0,my,-mz) (-x,3/4,0;0,-my,mz) 8j (x,0,1/2;mx,0,0) (-x,0,1/2;-mx,0,0) (x+1/2,0,1/2;-mx,0,0) (-x+1/2,0,1/2;mx,0,0) 8i (x,0,0;mx,0,0) (-x,0,0;-mx,0,0) (x+1/2,0,0;-mx,0,0) (-x+1/2,0,0;mx,0,0) 4h (1/4,1/4,1/2;0,0,mz) (1/4,3/4,1/2;0,0,-mz) 4g (0,1/4,1/2;0,my,0) (0,3/4,1/2;0,-my,0) 4f (1/4,0,1/2;mx,0,0) (3/4,0,1/2;-mx,0,0) 4e (1/4,1/4,0;0,0,mz) (1/4,3/4,0;0,0,-mz) 4d (0,0,1/2;0,0,0) (1/2,0,1/2;0,0,0) 4c (0,1/4,0;0,my,0) (0,3/4,0;0,-my,0) 4b (1/4,0,0;mx,0,0) (3/4,0,0;-mx,0,0) 4a (0,0,0;0,0,0) (1/2,0,0;0,0,0) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (1|1,0,0)' (2x|1,0,0)' (2y|1,0,0)' (2z|1,0,0)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,2,0)+ (0,0,1)+ (1,1,0)+ 16u (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (x+1,y,z;-mx,-my,-mz) (x+1,-y,-z;-mx,my,mz) (-x+1,y,-z;mx,-my,mz) (-x+1,-y,z;mx,my,-mz) 8t (1/2,1/2,z;0,0,mz) (1/2,-1/2,-z;0,0,-mz) (3/2,1/2,z;0,0,-mz) (3/2,-1/2,-z;0,0,mz) 8s (0,1/2,z;mx,my,0) (0,-1/2,-z;mx,-my,0) (0,1/2,-z;-mx,my,0) (0,-1/2,z;-mx,-my,0) 8r (1/2,0,z;mx,my,0) (1/2,0,-z;mx,-my,0) (-1/2,0,-z;-mx,my,0) (-1/2,0,z;-mx,-my,0) 8q (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) (1,0,z;0,0,-mz) (1,0,-z;0,0,mz) 8p (1/2,y,1/2;mx,0,mz) (1/2,-y,-1/2;mx,0,-mz) (-1/2,y,-1/2;-mx,0,-mz) (-1/2,-y,1/2;-mx,0,mz) 8o (1/2,y,0;mx,0,mz) (1/2,-y,0;mx,0,-mz) (-1/2,y,0;-mx,0,-mz) (-1/2,-y,0;-mx,0,mz) 8n (0,y,1/2;0,my,0) (0,-y,-1/2;0,-my,0) (1,y,1/2;0,-my,0) (1,-y,-1/2;0,my,0) 8m (0,y,0;0,my,0) (0,-y,0;0,-my,0) (1,y,0;0,-my,0) (1,-y,0;0,my,0) 8l (x,1/2,1/2;0,my,mz) (x,-1/2,-1/2;0,-my,-mz) (-x,1/2,-1/2;0,my,-mz) (-x,-1/2,1/2;0,-my,mz) 8k (x,1/2,0;0,my,mz) (x,-1/2,0;0,-my,-mz) (-x,1/2,0;0,my,-mz) (-x,-1/2,0;0,-my,mz) 8j (x,0,1/2;mx,0,0) (-x,0,-1/2;-mx,0,0) (x+1,0,1/2;-mx,0,0) (-x+1,0,-1/2;mx,0,0) 8i (x,0,0;mx,0,0) (-x,0,0;-mx,0,0) (x+1,0,0;-mx,0,0) (-x+1,0,0;mx,0,0) 4h (1/2,1/2,1/2;0,0,mz) (1/2,-1/2,-1/2;0,0,-mz) 4g (0,1/2,1/2;0,my,0) (0,-1/2,-1/2;0,-my,0) 4f (1/2,0,1/2;mx,0,0) (-1/2,0,-1/2;-mx,0,0) 4e (1/2,1/2,0;0,0,mz) (1/2,-1/2,0;0,0,-mz) 4d (0,0,1/2;0,0,0) (1,0,1/2;0,0,0) 4c (0,1/2,0;0,my,0) (0,-1/2,0;0,-my,0) 4b (1/2,0,0;mx,0,0) (-1/2,0,0;-mx,0,0) 4a (0,0,0;0,0,0) (1,0,0;0,0,0) ---------- UNI: 21.44 C222.1'_A[F222] BNS: 21.44 C_A222 OG: 22.4.143 F_C222 OG-BNS transformation: (0,0,0;a,b,c) Operators (BNS): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (1|0,1/2,1/2)' (2x|1/2,0,1/2)' (2y|1/2,0,1/2)' (2z|1/2,0,1/2)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,0)+ 16k (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (x+1/2,-y,-z+1/2;-mx,my,mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x+1/2,-y,z+1/2;mx,my,-mz) 8j (x,1/4,1/4;0,my,mz) (x,3/4,3/4;0,-my,-mz) (-x,1/4,3/4;0,my,-mz) (-x,3/4,1/4;0,-my,mz) 8i (1/4,y,1/4;mx,0,mz) (1/4,-y,3/4;mx,0,-mz) (3/4,y,3/4;-mx,0,-mz) (3/4,-y,1/4;-mx,0,mz) 8h (1/4,1/4,z;0,0,mz) (1/4,3/4,-z;0,0,-mz) (1/4,3/4,z+1/2;0,0,-mz) (3/4,3/4,-z+1/2;0,0,mz) 8g (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) (1/2,0,-z+1/2;0,0,mz) 8f (0,y,0;0,my,0) (0,-y,0;0,-my,0) (0,y+1/2,1/2;0,-my,0) (1/2,-y,1/2;0,my,0) 8e (x,0,0;mx,0,0) (-x,0,0;-mx,0,0) (x,1/2,1/2;-mx,0,0) (-x+1/2,0,1/2;mx,0,0) 4d (1/4,1/4,3/4;0,0,mz) (1/4,3/4,1/4;0,0,-mz) 4c (1/4,1/4,1/4;0,0,mz) (1/4,3/4,3/4;0,0,-mz) 4b (0,0,1/2;0,0,0) (0,1/2,0;0,0,0) 4a (0,0,0;0,0,0) (0,1/2,1/2;0,0,0) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (1|1/2,0,1/2)' (2x|1/2,0,1/2)' (2y|1/2,0,1/2)' (2z|1/2,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,0)+ 16k (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (x+1/2,y,z+1/2;-mx,-my,-mz) (x+1/2,-y,-z+1/2;-mx,my,mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x+1/2,-y,z+1/2;mx,my,-mz) 8j (x,1/4,1/4;0,my,mz) (x,-1/4,-1/4;0,-my,-mz) (-x,1/4,-1/4;0,my,-mz) (-x,-1/4,1/4;0,-my,mz) 8i (1/4,y,1/4;mx,0,mz) (1/4,-y,-1/4;mx,0,-mz) (-1/4,y,-1/4;-mx,0,-mz) (-1/4,-y,1/4;-mx,0,mz) 8h (1/4,1/4,z;0,0,mz) (1/4,-1/4,-z;0,0,-mz) (3/4,1/4,z+1/2;0,0,-mz) (3/4,-1/4,-z+1/2;0,0,mz) 8g (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) (1/2,0,z+1/2;0,0,-mz) (1/2,0,-z+1/2;0,0,mz) 8f (0,y,0;0,my,0) (0,-y,0;0,-my,0) (1/2,y,1/2;0,-my,0) (1/2,-y,1/2;0,my,0) 8e (x,0,0;mx,0,0) (-x,0,0;-mx,0,0) (x+1/2,0,1/2;-mx,0,0) (-x+1/2,0,1/2;mx,0,0) 4d (1/4,1/4,3/4;0,0,mz) (1/4,-1/4,-3/4;0,0,-mz) 4c (1/4,1/4,1/4;0,0,mz) (1/4,-1/4,-1/4;0,0,-mz) 4b (0,0,1/2;0,0,0) (1/2,0,1;0,0,0) 4a (0,0,0;0,0,0) (1/2,0,1/2;0,0,0) ---------- UNI: 22.45 F222.1 BNS: 22.45 F222 OG: 22.1.140 F222 Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) Wyckoff positions: (0,0,0)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 16k (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) 8j (x,1/4,1/4;mx,0,0) (-x,1/4,3/4;-mx,0,0) 8i (1/4,y,1/4;0,my,0) (1/4,-y,3/4;0,-my,0) 8h (1/4,1/4,z;0,0,mz) (1/4,3/4,-z;0,0,-mz) 8g (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) 8f (0,y,0;0,my,0) (0,-y,0;0,-my,0) 8e (x,0,0;mx,0,0) (-x,0,0;-mx,0,0) 4d (1/4,1/4,3/4;0,0,0) 4c (1/4,1/4,1/4;0,0,0) 4b (0,0,1/2;0,0,0) 4a (0,0,0;0,0,0) ---------- UNI: 22.46 F222.1' BNS: 22.46 F2221' OG: 22.2.141 F2221' Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (1|0,0,0)' (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,0)' Wyckoff positions: (0,0,0)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 16k (x,y,z;0,0,0) (x,-y,-z;0,0,0) (-x,y,-z;0,0,0) (-x,-y,z;0,0,0) 8j (x,1/4,1/4;0,0,0) (-x,1/4,3/4;0,0,0) 8i (1/4,y,1/4;0,0,0) (1/4,-y,3/4;0,0,0) 8h (1/4,1/4,z;0,0,0) (1/4,3/4,-z;0,0,0) 8g (0,0,z;0,0,0) (0,0,-z;0,0,0) 8f (0,y,0;0,0,0) (0,-y,0;0,0,0) 8e (x,0,0;0,0,0) (-x,0,0;0,0,0) 4d (1/4,1/4,3/4;0,0,0) 4c (1/4,1/4,1/4;0,0,0) 4b (0,0,1/2;0,0,0) 4a (0,0,0;0,0,0) ---------- UNI: 22.47 F2'2'2 BNS: 22.47 F2'2'2 OG: 22.3.142 F2'2'2 Operators: (1|0,0,0) (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,0) Wyckoff positions: (0,0,0)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 16k (x,y,z;mx,my,mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z;-mx,-my,mz) 8j (x,1/4,1/4;0,my,mz) (-x,3/4,1/4;0,-my,mz) 8i (1/4,y,1/4;mx,0,mz) (3/4,-y,1/4;-mx,0,mz) 8h (1/4,1/4,z;0,0,mz) (1/4,3/4,-z;0,0,mz) 8g (0,0,z;0,0,mz) (0,0,-z;0,0,mz) 8f (0,y,0;mx,0,mz) (0,-y,0;-mx,0,mz) 8e (x,0,0;0,my,mz) (-x,0,0;0,-my,mz) 4d (1/4,1/4,3/4;0,0,mz) 4c (1/4,1/4,1/4;0,0,mz) 4b (0,0,1/2;0,0,mz) 4a (0,0,0;0,0,mz) ---------- UNI: 22.48 F222.1'_I[P222] BNS: 22.48 F_S222 OG: 16.6.104 P_F222 OG-BNS transformation: (0,0,0;2a,2b,2c) Operators (BNS): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (1|0,0,1/2)' (2x|1/2,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' Wyckoff positions (BNS): (0,0,0)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 32u (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (x,y,z+1/2;-mx,-my,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) 16t (1/4,1/4,z;0,0,mz) (1/4,3/4,-z;0,0,-mz) (1/4,1/4,z+1/2;0,0,-mz) (3/4,1/4,-z+1/2;0,0,mz) 16s (0,1/4,z;mx,my,0) (0,3/4,-z;mx,-my,0) (0,1/4,-z;-mx,my,0) (0,3/4,z;-mx,-my,0) 16r (1/4,0,z;mx,my,0) (1/4,0,-z;mx,-my,0) (3/4,0,-z;-mx,my,0) (3/4,0,z;-mx,-my,0) 16q (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) (0,0,z+1/2;0,0,-mz) (1/2,1/2,-z+1/2;0,0,mz) 16p (1/4,y,1/4;0,my,0) (1/4,-y,3/4;0,-my,0) (1/4,y,3/4;0,-my,0) (3/4,-y+1/2,1/4;0,my,0) 16o (1/4,y,0;mx,0,mz) (1/4,-y,0;mx,0,-mz) (3/4,y,0;-mx,0,-mz) (3/4,-y,0;-mx,0,mz) 16n (0,y,1/4;mx,0,mz) (0,-y,3/4;mx,0,-mz) (0,y,3/4;-mx,0,-mz) (0,-y,1/4;-mx,0,mz) 16m (0,y,0;0,my,0) (0,-y,0;0,-my,0) (0,y,1/2;0,-my,0) (1/2,-y+1/2,1/2;0,my,0) 16l (x,1/4,1/4;mx,0,0) (-x,1/4,3/4;-mx,0,0) (x,1/4,3/4;-mx,0,0) (-x+1/2,3/4,1/4;mx,0,0) 16k (x,1/4,0;0,my,mz) (x,3/4,0;0,-my,-mz) (-x,1/4,0;0,my,-mz) (-x,3/4,0;0,-my,mz) 16j (x,0,1/4;0,my,mz) (x,0,3/4;0,-my,-mz) (-x,0,3/4;0,my,-mz) (-x,0,1/4;0,-my,mz) 16i (x,0,0;mx,0,0) (-x,0,0;-mx,0,0) (x,0,1/2;-mx,0,0) (-x+1/2,1/2,1/2;mx,0,0) 8h (1/4,1/4,1/4;0,0,0) (1/4,1/4,3/4;0,0,0) 8g (0,1/4,1/4;mx,0,0) (0,1/4,3/4;-mx,0,0) 8f (1/4,0,1/4;0,my,0) (1/4,0,3/4;0,-my,0) 8e (1/4,1/4,0;0,0,mz) (1/4,3/4,0;0,0,-mz) 8d (0,0,1/4;0,0,mz) (0,0,3/4;0,0,-mz) 8c (0,1/4,0;0,my,0) (0,3/4,0;0,-my,0) 8b (1/4,0,0;mx,0,0) (3/4,0,0;-mx,0,0) 8a (0,0,0;0,0,0) (0,0,1/2;0,0,0) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (1|1,1,1)' (2x|1,1,1)' (2y|1,1,1)' (2z|1,1,1)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,2,0)+ (0,0,2)+ (0,1,1)+ (1,0,1)+ (1,1,0)+ 32u (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (x+1,y+1,z+1;-mx,-my,-mz) (x+1,-y+1,-z+1;-mx,my,mz) (-x+1,y+1,-z+1;mx,-my,mz) (-x+1,-y+1,z+1;mx,my,-mz) 16t (1/2,1/2,z;0,0,mz) (1/2,-1/2,-z;0,0,-mz) (3/2,3/2,z+1;0,0,-mz) (3/2,1/2,-z+1;0,0,mz) 16s (0,1/2,z;mx,my,0) (0,-1/2,-z;mx,-my,0) (0,1/2,-z;-mx,my,0) (0,-1/2,z;-mx,-my,0) 16r (1/2,0,z;mx,my,0) (1/2,0,-z;mx,-my,0) (-1/2,0,-z;-mx,my,0) (-1/2,0,z;-mx,-my,0) 16q (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) (1,1,z+1;0,0,-mz) (1,1,-z+1;0,0,mz) 16p (1/2,y,1/2;0,my,0) (1/2,-y,-1/2;0,-my,0) (3/2,y+1,3/2;0,-my,0) (3/2,-y+1,1/2;0,my,0) 16o (1/2,y,0;mx,0,mz) (1/2,-y,0;mx,0,-mz) (-1/2,y,0;-mx,0,-mz) (-1/2,-y,0;-mx,0,mz) 16n (0,y,1/2;mx,0,mz) (0,-y,-1/2;mx,0,-mz) (0,y,-1/2;-mx,0,-mz) (0,-y,1/2;-mx,0,mz) 16m (0,y,0;0,my,0) (0,-y,0;0,-my,0) (1,y+1,1;0,-my,0) (1,-y+1,1;0,my,0) 16l (x,1/2,1/2;mx,0,0) (-x,1/2,-1/2;-mx,0,0) (x+1,3/2,3/2;-mx,0,0) (-x+1,3/2,1/2;mx,0,0) 16k (x,1/2,0;0,my,mz) (x,-1/2,0;0,-my,-mz) (-x,1/2,0;0,my,-mz) (-x,-1/2,0;0,-my,mz) 16j (x,0,1/2;0,my,mz) (x,0,-1/2;0,-my,-mz) (-x,0,-1/2;0,my,-mz) (-x,0,1/2;0,-my,mz) 16i (x,0,0;mx,0,0) (-x,0,0;-mx,0,0) (x+1,1,1;-mx,0,0) (-x+1,1,1;mx,0,0) 8h (1/2,1/2,1/2;0,0,0) (3/2,3/2,3/2;0,0,0) 8g (0,1/2,1/2;mx,0,0) (0,1/2,-1/2;-mx,0,0) 8f (1/2,0,1/2;0,my,0) (1/2,0,-1/2;0,-my,0) 8e (1/2,1/2,0;0,0,mz) (1/2,-1/2,0;0,0,-mz) 8d (0,0,1/2;0,0,mz) (0,0,-1/2;0,0,-mz) 8c (0,1/2,0;0,my,0) (0,-1/2,0;0,-my,0) 8b (1/2,0,0;mx,0,0) (-1/2,0,0;-mx,0,0) 8a (0,0,0;0,0,0) (1,1,1;0,0,0) ---------- UNI: 23.49 I222.1 BNS: 23.49 I222 OG: 23.1.145 I222 Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) Wyckoff positions: (0,0,0)+ (1/2,1/2,1/2)+ 8k (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) 4j (0,1/2,z;0,0,mz) (0,1/2,-z;0,0,-mz) 4i (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) 4h (1/2,y,0;0,my,0) (1/2,-y,0;0,-my,0) 4g (0,y,0;0,my,0) (0,-y,0;0,-my,0) 4f (x,0,1/2;mx,0,0) (-x,0,1/2;-mx,0,0) 4e (x,0,0;mx,0,0) (-x,0,0;-mx,0,0) 2d (0,1/2,0;0,0,0) 2c (0,0,1/2;0,0,0) 2b (1/2,0,0;0,0,0) 2a (0,0,0;0,0,0) ---------- UNI: 23.50 I222.1' BNS: 23.50 I2221' OG: 23.2.146 I2221' Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (1|0,0,0)' (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,0)' Wyckoff positions: (0,0,0)+ (1/2,1/2,1/2)+ 8k (x,y,z;0,0,0) (x,-y,-z;0,0,0) (-x,y,-z;0,0,0) (-x,-y,z;0,0,0) 4j (0,1/2,z;0,0,0) (0,1/2,-z;0,0,0) 4i (0,0,z;0,0,0) (0,0,-z;0,0,0) 4h (1/2,y,0;0,0,0) (1/2,-y,0;0,0,0) 4g (0,y,0;0,0,0) (0,-y,0;0,0,0) 4f (x,0,1/2;0,0,0) (-x,0,1/2;0,0,0) 4e (x,0,0;0,0,0) (-x,0,0;0,0,0) 2d (0,1/2,0;0,0,0) 2c (0,0,1/2;0,0,0) 2b (1/2,0,0;0,0,0) 2a (0,0,0;0,0,0) ---------- UNI: 23.51 I2'2'2 BNS: 23.51 I2'2'2 OG: 23.3.147 I2'2'2 Operators: (1|0,0,0) (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,0) Wyckoff positions: (0,0,0)+ (1/2,1/2,1/2)+ 8k (x,y,z;mx,my,mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z;-mx,-my,mz) 4j (0,1/2,z;0,0,mz) (0,1/2,-z;0,0,mz) 4i (0,0,z;0,0,mz) (0,0,-z;0,0,mz) 4h (1/2,y,0;mx,0,mz) (1/2,-y,0;-mx,0,mz) 4g (0,y,0;mx,0,mz) (0,-y,0;-mx,0,mz) 4f (x,0,1/2;0,my,mz) (-x,0,1/2;0,-my,mz) 4e (x,0,0;0,my,mz) (-x,0,0;0,-my,mz) 2d (0,1/2,0;0,0,mz) 2c (0,0,1/2;0,0,mz) 2b (1/2,0,0;0,0,mz) 2a (0,0,0;0,0,mz) ---------- UNI: 23.52 I222.1'_c[C222] BNS: 23.52 I_c222 OG: 21.7.135 C_I222 OG-BNS transformation: (0,0,0;a,b,2c) Operators (BNS): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (1|0,0,1/2)' (2x|0,0,1/2)' (2y|0,0,1/2)' (2z|0,0,1/2)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,1/2)+ 16l (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (x,y,z+1/2;-mx,-my,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,z+1/2;mx,my,-mz) 8k (1/4,1/4,z;mx,my,0) (1/4,3/4,-z;mx,-my,0) (3/4,1/4,-z;-mx,my,0) (3/4,3/4,z;-mx,-my,0) 8j (0,1/2,z;0,0,mz) (0,1/2,-z;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) (0,1/2,-z+1/2;0,0,mz) 8i (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) (0,0,z+1/2;0,0,-mz) (0,0,-z+1/2;0,0,mz) 8h (0,y,1/4;mx,0,mz) (0,-y,3/4;mx,0,-mz) (0,y,3/4;-mx,0,-mz) (0,-y,1/4;-mx,0,mz) 8g (0,y,0;0,my,0) (0,-y,0;0,-my,0) (0,y,1/2;0,-my,0) (0,-y,1/2;0,my,0) 8f (x,0,1/4;0,my,mz) (x,0,3/4;0,-my,-mz) (-x,0,3/4;0,my,-mz) (-x,0,1/4;0,-my,mz) 8e (x,0,0;mx,0,0) (-x,0,0;-mx,0,0) (x,0,1/2;-mx,0,0) (-x,0,1/2;mx,0,0) 4d (0,0,1/4;0,0,mz) (0,0,3/4;0,0,-mz) 4c (1/2,0,1/4;0,0,mz) (1/2,0,3/4;0,0,-mz) 4b (0,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) 4a (0,0,0;0,0,0) (0,0,1/2;0,0,0) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (1|0,0,1)' (2x|0,0,1)' (2y|0,0,1)' (2z|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ (1/2,1/2,1)+ 16l (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (x,y,z+1;-mx,-my,-mz) (x,-y,-z+1;-mx,my,mz) (-x,y,-z+1;mx,-my,mz) (-x,-y,z+1;mx,my,-mz) 8k (1/4,1/4,z;mx,my,0) (1/4,-1/4,-z;mx,-my,0) (-1/4,1/4,-z;-mx,my,0) (-1/4,-1/4,z;-mx,-my,0) 8j (0,1/2,z;0,0,mz) (0,-1/2,-z;0,0,-mz) (0,1/2,z+1;0,0,-mz) (0,-1/2,-z+1;0,0,mz) 8i (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) (0,0,z+1;0,0,-mz) (0,0,-z+1;0,0,mz) 8h (0,y,1/2;mx,0,mz) (0,-y,-1/2;mx,0,-mz) (0,y,-1/2;-mx,0,-mz) (0,-y,1/2;-mx,0,mz) 8g (0,y,0;0,my,0) (0,-y,0;0,-my,0) (0,y,1;0,-my,0) (0,-y,1;0,my,0) 8f (x,0,1/2;0,my,mz) (x,0,-1/2;0,-my,-mz) (-x,0,-1/2;0,my,-mz) (-x,0,1/2;0,-my,mz) 8e (x,0,0;mx,0,0) (-x,0,0;-mx,0,0) (x,0,1;-mx,0,0) (-x,0,1;mx,0,0) 4d (0,0,1/2;0,0,mz) (0,0,-1/2;0,0,-mz) 4c (1/2,0,1/2;0,0,mz) (1/2,0,-1/2;0,0,-mz) 4b (0,1/2,0;0,0,0) (0,1/2,1;0,0,0) 4a (0,0,0;0,0,0) (0,0,1;0,0,0) ---------- UNI: 24.53 I2_12_12_1.1 BNS: 24.53 I2_12_12_1 OG: 24.1.150 I2_12_12_1 Operators: (1|0,0,0) (2x|0,0,1/2) (2y|1/2,0,0) (2z|0,1/2,0) Wyckoff positions: (0,0,0)+ (1/2,1/2,1/2)+ 8d (x,y,z;mx,my,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x+1/2,y,-z;-mx,my,-mz) (-x,-y+1/2,z;-mx,-my,mz) 4c (0,1/4,z;0,0,mz) (0,3/4,-z+1/2;0,0,-mz) 4b (1/4,y,0;0,my,0) (1/4,-y,1/2;0,-my,0) 4a (x,0,1/4;mx,0,0) (-x+1/2,0,3/4;-mx,0,0) ---------- UNI: 24.54 I2_12_12_1.1' BNS: 24.54 I2_12_12_11' OG: 24.2.151 I2_12_12_11' Operators: (1|0,0,0) (2x|0,0,1/2) (2y|1/2,0,0) (2z|0,1/2,0) (1|0,0,0)' (2x|0,0,1/2)' (2y|1/2,0,0)' (2z|0,1/2,0)' Wyckoff positions: (0,0,0)+ (1/2,1/2,1/2)+ 8d (x,y,z;0,0,0) (x,-y,-z+1/2;0,0,0) (-x+1/2,y,-z;0,0,0) (-x,-y+1/2,z;0,0,0) 4c (0,1/4,z;0,0,0) (0,3/4,-z+1/2;0,0,0) 4b (1/4,y,0;0,0,0) (1/4,-y,1/2;0,0,0) 4a (x,0,1/4;0,0,0) (-x+1/2,0,3/4;0,0,0) ---------- UNI: 24.55 I2_1'2_1'2_1 BNS: 24.55 I2_1'2_1'2_1 OG: 24.3.152 I2_1'2_1'2_1 Operators: (1|0,0,0) (2x|0,0,1/2)' (2y|1/2,0,0)' (2z|0,1/2,0) Wyckoff positions: (0,0,0)+ (1/2,1/2,1/2)+ 8d (x,y,z;mx,my,mz) (x,-y,-z+1/2;-mx,my,mz) (-x+1/2,y,-z;mx,-my,mz) (-x,-y+1/2,z;-mx,-my,mz) 4c (0,1/4,z;0,0,mz) (0,3/4,-z+1/2;0,0,mz) 4b (1/4,y,0;mx,0,mz) (3/4,-y+1/2,0;-mx,0,mz) 4a (x,0,1/4;0,my,mz) (-x,1/2,1/4;0,-my,mz) ---------- UNI: 24.56 I2_12_12_1.1'_c[C222] BNS: 24.56 I_c2_12_12_1 OG: 21.11.139 C_I2'22' OG-BNS transformation: (1/4,0,0;a,b,2c) Operators (BNS): (1|0,0,0) (2x|0,0,1/2) (2y|1/2,0,0) (2z|0,1/2,0) (1|0,0,1/2)' (2x|0,0,0)' (2y|0,1/2,0)' (2z|1/2,0,0)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,1/2)+ 16l (x,y,z;mx,my,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x+1/2,y,-z;-mx,my,-mz) (-x,-y+1/2,z;-mx,-my,mz) (x,y,z+1/2;-mx,-my,-mz) (x,-y,-z;-mx,my,mz) (-x,y+1/2,-z;mx,-my,mz) (-x+1/2,-y,z;mx,my,-mz) 8k (0,1/4,z;0,0,mz) (0,3/4,-z+1/2;0,0,-mz) (0,1/4,z+1/2;0,0,-mz) (0,3/4,-z;0,0,mz) 8j (3/4,1/2,z;mx,my,0) (3/4,1/2,-z+1/2;mx,-my,0) (3/4,1/2,-z;-mx,my,0) (1/4,0,z;-mx,-my,0) 8i (3/4,0,z;mx,my,0) (3/4,0,-z+1/2;mx,-my,0) (3/4,0,-z;-mx,my,0) (1/4,1/2,z;-mx,-my,0) 8h (3/4,y,1/4;mx,0,mz) (3/4,-y,1/4;mx,0,-mz) (3/4,y,3/4;-mx,0,-mz) (1/4,-y+1/2,1/4;-mx,0,mz) 8g (3/4,y,0;0,my,0) (3/4,-y,1/2;0,-my,0) (3/4,y,1/2;0,-my,0) (3/4,-y,0;0,my,0) 8f (x,0,1/4;mx,0,0) (-x+1/2,0,3/4;-mx,0,0) (x,0,3/4;-mx,0,0) (-x,1/2,3/4;mx,0,0) 8e (x,0,0;0,my,mz) (x,0,1/2;0,-my,-mz) (-x+1/2,0,0;0,my,-mz) (-x,1/2,0;0,-my,mz) 4d (3/4,0,1/4;mx,0,0) (3/4,0,3/4;-mx,0,0) 4c (1/4,0,1/4;mx,0,0) (1/4,0,3/4;-mx,0,0) 4b (3/4,1/2,0;0,my,0) (3/4,1/2,1/2;0,-my,0) 4a (3/4,0,0;0,my,0) (3/4,0,1/2;0,-my,0) Operators (OG): (1|0,0,0) (2x|0,0,1) (2y|0,0,0) (2z|0,0,1) (1|0,0,1)' (2x|0,0,0)' (2y|0,0,1)' (2z|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ (1/2,1/2,1)+ 16l (x,y,z;mx,my,mz) (x,-y,-z+1;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z+1;-mx,-my,mz) (x,y,z+1;-mx,-my,-mz) (x,-y,-z;-mx,my,mz) (-x,y,-z+1;mx,-my,mz) (-x,-y,z;mx,my,-mz) 8k (1/4,1/4,z;0,0,mz) (1/4,-1/4,-z+1;0,0,-mz) (1/4,1/4,z+1;0,0,-mz) (1/4,-1/4,-z;0,0,mz) 8j (0,1/2,z;mx,my,0) (0,-1/2,-z+1;mx,-my,0) (0,1/2,-z;-mx,my,0) (0,-1/2,z+1;-mx,-my,0) 8i (0,0,z;mx,my,0) (0,0,-z+1;mx,-my,0) (0,0,-z;-mx,my,0) (0,0,z+1;-mx,-my,0) 8h (0,y,1/2;mx,0,mz) (0,-y,1/2;mx,0,-mz) (0,y,-1/2;-mx,0,-mz) (0,-y,3/2;-mx,0,mz) 8g (0,y,0;0,my,0) (0,-y,1;0,-my,0) (0,y,1;0,-my,0) (0,-y,0;0,my,0) 8f (x,0,1/2;mx,0,0) (-x,0,-1/2;-mx,0,0) (x,0,3/2;-mx,0,0) (-x,0,1/2;mx,0,0) 8e (x,0,0;0,my,mz) (x,0,1;0,-my,-mz) (-x,0,0;0,my,-mz) (-x,0,1;0,-my,mz) 4d (0,0,1/2;mx,0,0) (0,0,-1/2;-mx,0,0) 4c (1/2,0,1/2;mx,0,0) (-1/2,0,-1/2;-mx,0,0) 4b (0,1/2,0;0,my,0) (0,-1/2,1;0,-my,0) 4a (0,0,0;0,my,0) (0,0,1;0,-my,0) ---------- UNI: 25.57 Pmm2.1 BNS: 25.57 Pmm2 OG: 25.1.155 Pmm2 Operators: (1|0,0,0) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) Wyckoff positions: 4i (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) 2h (1/2,y,z;mx,0,0) (1/2,-y,z;-mx,0,0) 2g (0,y,z;mx,0,0) (0,-y,z;-mx,0,0) 2f (x,1/2,z;0,my,0) (-x,1/2,z;0,-my,0) 2e (x,0,z;0,my,0) (-x,0,z;0,-my,0) 1d (1/2,1/2,z;0,0,0) 1c (1/2,0,z;0,0,0) 1b (0,1/2,z;0,0,0) 1a (0,0,z;0,0,0) ---------- UNI: 25.58 Pmm2.1' BNS: 25.58 Pmm21' OG: 25.2.156 Pmm21' Operators: (1|0,0,0) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) (1|0,0,0)' (2z|0,0,0)' (mx|0,0,0)' (my|0,0,0)' Wyckoff positions: 4i (x,y,z;0,0,0) (-x,-y,z;0,0,0) (-x,y,z;0,0,0) (x,-y,z;0,0,0) 2h (1/2,y,z;0,0,0) (1/2,-y,z;0,0,0) 2g (0,y,z;0,0,0) (0,-y,z;0,0,0) 2f (x,1/2,z;0,0,0) (-x,1/2,z;0,0,0) 2e (x,0,z;0,0,0) (-x,0,z;0,0,0) 1d (1/2,1/2,z;0,0,0) 1c (1/2,0,z;0,0,0) 1b (0,1/2,z;0,0,0) 1a (0,0,z;0,0,0) ---------- UNI: 25.59 Pm'm2' BNS: 25.59 Pm'm2' OG: 25.3.157 Pm'm2' Operators: (1|0,0,0) (2z|0,0,0)' (mx|0,0,0)' (my|0,0,0) Wyckoff positions: 4i (x,y,z;mx,my,mz) (-x,-y,z;mx,my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;-mx,my,-mz) 2h (1/2,y,z;0,my,mz) (1/2,-y,z;0,my,-mz) 2g (0,y,z;0,my,mz) (0,-y,z;0,my,-mz) 2f (x,1/2,z;0,my,0) (-x,1/2,z;0,my,0) 2e (x,0,z;0,my,0) (-x,0,z;0,my,0) 1d (1/2,1/2,z;0,my,0) 1c (1/2,0,z;0,my,0) 1b (0,1/2,z;0,my,0) 1a (0,0,z;0,my,0) ---------- UNI: 25.60 Pm'm'2 BNS: 25.60 Pm'm'2 OG: 25.4.158 Pm'm'2 Operators: (1|0,0,0) (2z|0,0,0) (mx|0,0,0)' (my|0,0,0)' Wyckoff positions: 4i (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) 2h (1/2,y,z;0,my,mz) (1/2,-y,z;0,-my,mz) 2g (0,y,z;0,my,mz) (0,-y,z;0,-my,mz) 2f (x,1/2,z;mx,0,mz) (-x,1/2,z;-mx,0,mz) 2e (x,0,z;mx,0,mz) (-x,0,z;-mx,0,mz) 1d (1/2,1/2,z;0,0,mz) 1c (1/2,0,z;0,0,mz) 1b (0,1/2,z;0,0,mz) 1a (0,0,z;0,0,mz) ---------- UNI: 25.61 Pmm2.1'_c[Pmm2] BNS: 25.61 P_cmm2 OG: 25.5.159 P_2cmm2 OG-BNS transformation: (0,0,0;a,b,2c) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) (1|0,0,1/2)' (2z|0,0,1/2)' (mx|0,0,1/2)' (my|0,0,1/2)' Wyckoff positions (BNS): 8i (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,z+1/2;-mx,-my,-mz) (-x,-y,z+1/2;mx,my,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) 4h (1/2,y,z;mx,0,0) (1/2,-y,z;-mx,0,0) (1/2,y,z+1/2;-mx,0,0) (1/2,-y,z+1/2;mx,0,0) 4g (0,y,z;mx,0,0) (0,-y,z;-mx,0,0) (0,y,z+1/2;-mx,0,0) (0,-y,z+1/2;mx,0,0) 4f (x,1/2,z;0,my,0) (-x,1/2,z;0,-my,0) (x,1/2,z+1/2;0,-my,0) (-x,1/2,z+1/2;0,my,0) 4e (x,0,z;0,my,0) (-x,0,z;0,-my,0) (x,0,z+1/2;0,-my,0) (-x,0,z+1/2;0,my,0) 2d (1/2,1/2,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) 2c (1/2,0,z;0,0,0) (1/2,0,z+1/2;0,0,0) 2b (0,1/2,z;0,0,0) (0,1/2,z+1/2;0,0,0) 2a (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) (1|0,0,1)' (2z|0,0,1)' (mx|0,0,1)' (my|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 8i (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,z+1;-mx,-my,-mz) (-x,-y,z+1;mx,my,-mz) (-x,y,z+1;-mx,my,mz) (x,-y,z+1;mx,-my,mz) 4h (1/2,y,z;mx,0,0) (-1/2,-y,z;-mx,0,0) (1/2,y,z+1;-mx,0,0) (-1/2,-y,z+1;mx,0,0) 4g (0,y,z;mx,0,0) (0,-y,z;-mx,0,0) (0,y,z+1;-mx,0,0) (0,-y,z+1;mx,0,0) 4f (x,1/2,z;0,my,0) (-x,-1/2,z;0,-my,0) (x,1/2,z+1;0,-my,0) (-x,-1/2,z+1;0,my,0) 4e (x,0,z;0,my,0) (-x,0,z;0,-my,0) (x,0,z+1;0,-my,0) (-x,0,z+1;0,my,0) 2d (1/2,1/2,z;0,0,0) (1/2,1/2,z+1;0,0,0) 2c (1/2,0,z;0,0,0) (1/2,0,z+1;0,0,0) 2b (0,1/2,z;0,0,0) (0,1/2,z+1;0,0,0) 2a (0,0,z;0,0,0) (0,0,z+1;0,0,0) ---------- UNI: 25.62 Pmm2.1'_a[Pmm2] BNS: 25.62 P_amm2 OG: 25.6.160 P_2amm2 OG-BNS transformation: (0,0,0;2a,b,c) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) (1|1/2,0,0)' (2z|1/2,0,0)' (mx|1/2,0,0)' (my|1/2,0,0)' Wyckoff positions (BNS): 8i (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x+1/2,y,z;-mx,-my,-mz) (-x+1/2,-y,z;mx,my,-mz) (-x+1/2,y,z;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) 4h (1/4,y,z;0,my,mz) (3/4,-y,z;0,-my,mz) (3/4,y,z;0,-my,-mz) (1/4,-y,z;0,my,-mz) 4g (0,y,z;mx,0,0) (0,-y,z;-mx,0,0) (1/2,y,z;-mx,0,0) (1/2,-y,z;mx,0,0) 4f (x,1/2,z;0,my,0) (-x,1/2,z;0,-my,0) (x+1/2,1/2,z;0,-my,0) (-x+1/2,1/2,z;0,my,0) 4e (x,0,z;0,my,0) (-x,0,z;0,-my,0) (x+1/2,0,z;0,-my,0) (-x+1/2,0,z;0,my,0) 2d (1/4,1/2,z;0,my,0) (3/4,1/2,z;0,-my,0) 2c (1/4,0,z;0,my,0) (3/4,0,z;0,-my,0) 2b (0,1/2,z;0,0,0) (1/2,1/2,z;0,0,0) 2a (0,0,z;0,0,0) (1/2,0,z;0,0,0) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) (1|1,0,0)' (2z|1,0,0)' (mx|1,0,0)' (my|1,0,0)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,1,0)+ (0,0,1)+ 8i (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x+1,y,z;-mx,-my,-mz) (-x+1,-y,z;mx,my,-mz) (-x+1,y,z;-mx,my,mz) (x+1,-y,z;mx,-my,mz) 4h (1/2,y,z;0,my,mz) (-1/2,-y,z;0,-my,mz) (-1/2,y,z;0,-my,-mz) (1/2,-y,z;0,my,-mz) 4g (0,y,z;mx,0,0) (0,-y,z;-mx,0,0) (1,y,z;-mx,0,0) (1,-y,z;mx,0,0) 4f (x,1/2,z;0,my,0) (-x,-1/2,z;0,-my,0) (x+1,1/2,z;0,-my,0) (-x+1,-1/2,z;0,my,0) 4e (x,0,z;0,my,0) (-x,0,z;0,-my,0) (x+1,0,z;0,-my,0) (-x+1,0,z;0,my,0) 2d (1/2,1/2,z;0,my,0) (-1/2,-1/2,z;0,-my,0) 2c (1/2,0,z;0,my,0) (-1/2,0,z;0,-my,0) 2b (0,1/2,z;0,0,0) (1,1/2,z;0,0,0) 2a (0,0,z;0,0,0) (1,0,z;0,0,0) ---------- UNI: 25.63 Pmm2.1'_C[Cmm2] BNS: 25.63 P_Cmm2 OG: 35.6.241 C_Pmm2 OG-BNS transformation: (0,0,0;a,b,c) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) (1|1/2,1/2,0)' (2z|1/2,1/2,0)' (mx|1/2,1/2,0)' (my|1/2,1/2,0)' Wyckoff positions (BNS): 8f (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z;mx,-my,mz) 4e (0,y,z;mx,0,0) (0,-y,z;-mx,0,0) (1/2,y+1/2,z;-mx,0,0) (1/2,-y+1/2,z;mx,0,0) 4d (x,0,z;0,my,0) (-x,0,z;0,-my,0) (x+1/2,1/2,z;0,-my,0) (-x+1/2,1/2,z;0,my,0) 4c (1/4,1/4,z;mx,my,0) (3/4,3/4,z;-mx,-my,0) (3/4,1/4,z;mx,-my,0) (1/4,3/4,z;-mx,my,0) 2b (0,1/2,z;0,0,0) (1/2,0,z;0,0,0) 2a (0,0,z;0,0,0) (1/2,1/2,z;0,0,0) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) (1|1/2,1/2,0)' (2z|1/2,1/2,0)' (mx|1/2,1/2,0)' (my|1/2,1/2,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8f (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z;mx,-my,mz) 4e (0,y,z;mx,0,0) (0,-y,z;-mx,0,0) (1/2,y+1/2,z;-mx,0,0) (1/2,-y+1/2,z;mx,0,0) 4d (x,0,z;0,my,0) (-x,0,z;0,-my,0) (x+1/2,1/2,z;0,-my,0) (-x+1/2,1/2,z;0,my,0) 4c (1/4,1/4,z;mx,my,0) (-1/4,-1/4,z;-mx,-my,0) (-1/4,1/4,z;mx,-my,0) (1/4,-1/4,z;-mx,my,0) 2b (0,1/2,z;0,0,0) (1/2,1,z;0,0,0) 2a (0,0,z;0,0,0) (1/2,1/2,z;0,0,0) ---------- UNI: 25.64 Pmm2.1'_A[Amm2] BNS: 25.64 P_Amm2 OG: 38.7.271 A_Pmm2 OG-BNS transformation: (0,0,0;a,b,c) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) (1|0,1/2,1/2)' (2z|0,1/2,1/2)' (mx|0,1/2,1/2)' (my|0,1/2,1/2)' Wyckoff positions (BNS): 8f (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (-x,-y+1/2,z+1/2;mx,my,-mz) (-x,y+1/2,z+1/2;-mx,my,mz) (x,-y+1/2,z+1/2;mx,-my,mz) 4e (1/2,y,z;mx,0,0) (1/2,-y,z;-mx,0,0) (1/2,y+1/2,z+1/2;-mx,0,0) (1/2,-y+1/2,z+1/2;mx,0,0) 4d (0,y,z;mx,0,0) (0,-y,z;-mx,0,0) (0,y+1/2,z+1/2;-mx,0,0) (0,-y+1/2,z+1/2;mx,0,0) 4c (x,0,z;0,my,0) (-x,0,z;0,-my,0) (x,1/2,z+1/2;0,-my,0) (-x,1/2,z+1/2;0,my,0) 2b (1/2,0,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) 2a (0,0,z;0,0,0) (0,1/2,z+1/2;0,0,0) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) (1|0,1/2,1/2)' (2z|0,1/2,1/2)' (mx|0,1/2,1/2)' (my|0,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8f (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (-x,-y+1/2,z+1/2;mx,my,-mz) (-x,y+1/2,z+1/2;-mx,my,mz) (x,-y+1/2,z+1/2;mx,-my,mz) 4e (1/2,y,z;mx,0,0) (-1/2,-y,z;-mx,0,0) (1/2,y+1/2,z+1/2;-mx,0,0) (-1/2,-y+1/2,z+1/2;mx,0,0) 4d (0,y,z;mx,0,0) (0,-y,z;-mx,0,0) (0,y+1/2,z+1/2;-mx,0,0) (0,-y+1/2,z+1/2;mx,0,0) 4c (x,0,z;0,my,0) (-x,0,z;0,-my,0) (x,1/2,z+1/2;0,-my,0) (-x,1/2,z+1/2;0,my,0) 2b (1/2,0,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) 2a (0,0,z;0,0,0) (0,1/2,z+1/2;0,0,0) ---------- UNI: 25.65 Pmm2.1'_I[Imm2] BNS: 25.65 P_Imm2 OG: 44.5.328 I_Pmm2 OG-BNS transformation: (0,0,0;a,b,c) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) (1|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2)' Wyckoff positions (BNS): 8e (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) 4d (0,y,z;mx,0,0) (0,-y,z;-mx,0,0) (1/2,y+1/2,z+1/2;-mx,0,0) (1/2,-y+1/2,z+1/2;mx,0,0) 4c (x,0,z;0,my,0) (-x,0,z;0,-my,0) (x+1/2,1/2,z+1/2;0,-my,0) (-x+1/2,1/2,z+1/2;0,my,0) 2b (0,1/2,z;0,0,0) (1/2,0,z+1/2;0,0,0) 2a (0,0,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) (1|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8e (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) 4d (0,y,z;mx,0,0) (0,-y,z;-mx,0,0) (1/2,y+1/2,z+1/2;-mx,0,0) (1/2,-y+1/2,z+1/2;mx,0,0) 4c (x,0,z;0,my,0) (-x,0,z;0,-my,0) (x+1/2,1/2,z+1/2;0,-my,0) (-x+1/2,1/2,z+1/2;0,my,0) 2b (0,1/2,z;0,0,0) (1/2,1,z+1/2;0,0,0) 2a (0,0,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) ---------- UNI: 26.66 Pmc2_1.1 BNS: 26.66 Pmc2_1 OG: 26.1.168 Pmc2_1 Operators: (1|0,0,0) (2z|0,0,1/2) (mx|0,0,0) (my|0,0,1/2) Wyckoff positions: 4c (x,y,z;mx,my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) 2b (1/2,y,z;mx,0,0) (1/2,-y,z+1/2;-mx,0,0) 2a (0,y,z;mx,0,0) (0,-y,z+1/2;-mx,0,0) ---------- UNI: 26.67 Pmc2_1.1' BNS: 26.67 Pmc2_11' OG: 26.2.169 Pmc2_11' Operators: (1|0,0,0) (2z|0,0,1/2) (mx|0,0,0) (my|0,0,1/2) (1|0,0,0)' (2z|0,0,1/2)' (mx|0,0,0)' (my|0,0,1/2)' Wyckoff positions: 4c (x,y,z;0,0,0) (-x,-y,z+1/2;0,0,0) (-x,y,z;0,0,0) (x,-y,z+1/2;0,0,0) 2b (1/2,y,z;0,0,0) (1/2,-y,z+1/2;0,0,0) 2a (0,y,z;0,0,0) (0,-y,z+1/2;0,0,0) ---------- UNI: 26.68 Pm'c2_1' BNS: 26.68 Pm'c2_1' OG: 26.3.170 Pm'c2_1' Operators: (1|0,0,0) (2z|0,0,1/2)' (mx|0,0,0)' (my|0,0,1/2) Wyckoff positions: 4c (x,y,z;mx,my,mz) (-x,-y,z+1/2;mx,my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) 2b (1/2,y,z;0,my,mz) (1/2,-y,z+1/2;0,my,-mz) 2a (0,y,z;0,my,mz) (0,-y,z+1/2;0,my,-mz) ---------- UNI: 26.69 Pmc'2_1' BNS: 26.69 Pmc'2_1' OG: 26.4.171 Pmc'2_1' Operators: (1|0,0,0) (2z|0,0,1/2)' (mx|0,0,0) (my|0,0,1/2)' Wyckoff positions: 4c (x,y,z;mx,my,mz) (-x,-y,z+1/2;mx,my,-mz) (-x,y,z;mx,-my,-mz) (x,-y,z+1/2;mx,-my,mz) 2b (1/2,y,z;mx,0,0) (1/2,-y,z+1/2;mx,0,0) 2a (0,y,z;mx,0,0) (0,-y,z+1/2;mx,0,0) ---------- UNI: 26.70 Pm'c'2_1 BNS: 26.70 Pm'c'2_1 OG: 26.5.172 Pm'c'2_1 Operators: (1|0,0,0) (2z|0,0,1/2) (mx|0,0,0)' (my|0,0,1/2)' Wyckoff positions: 4c (x,y,z;mx,my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x,y,z;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) 2b (1/2,y,z;0,my,mz) (1/2,-y,z+1/2;0,-my,mz) 2a (0,y,z;0,my,mz) (0,-y,z+1/2;0,-my,mz) ---------- UNI: 26.71 Pmc2_1.1'_a[Pmc2_1] BNS: 26.71 P_amc2_1 OG: 26.6.173 P_2amc2_1 OG-BNS transformation: (0,0,0;2a,b,c) Operators (BNS): (1|0,0,0) (2z|0,0,1/2) (mx|0,0,0) (my|0,0,1/2) (1|1/2,0,0)' (2z|1/2,0,1/2)' (mx|1/2,0,0)' (my|1/2,0,1/2)' Wyckoff positions (BNS): 8c (x,y,z;mx,my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y,z;-mx,-my,-mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x+1/2,y,z;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) 4b (1/4,y,z;0,my,mz) (3/4,-y,z+1/2;0,-my,mz) (3/4,y,z;0,-my,-mz) (1/4,-y,z+1/2;0,my,-mz) 4a (0,y,z;mx,0,0) (0,-y,z+1/2;-mx,0,0) (1/2,y,z;-mx,0,0) (1/2,-y,z+1/2;mx,0,0) Operators (OG): (1|0,0,0) (2z|0,0,1/2) (mx|0,0,0) (my|0,0,1/2) (1|1,0,0)' (2z|1,0,1/2)' (mx|1,0,0)' (my|1,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,1,0)+ (0,0,1)+ 8c (x,y,z;mx,my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1,y,z;-mx,-my,-mz) (-x+1,-y,z+1/2;mx,my,-mz) (-x+1,y,z;-mx,my,mz) (x+1,-y,z+1/2;mx,-my,mz) 4b (1/2,y,z;0,my,mz) (-1/2,-y,z+1/2;0,-my,mz) (-1/2,y,z;0,-my,-mz) (1/2,-y,z+1/2;0,my,-mz) 4a (0,y,z;mx,0,0) (0,-y,z+1/2;-mx,0,0) (1,y,z;-mx,0,0) (1,-y,z+1/2;mx,0,0) ---------- UNI: 26.72 Pmc2_1.1'_b[Pmc2_1] BNS: 26.72 P_bmc2_1 OG: 26.7.174 P_2bmc2_1 OG-BNS transformation: (0,0,0;a,2b,c) Operators (BNS): (1|0,0,0) (2z|0,0,1/2) (mx|0,0,0) (my|0,0,1/2) (1|0,1/2,0)' (2z|0,1/2,1/2)' (mx|0,1/2,0)' (my|0,1/2,1/2)' Wyckoff positions (BNS): 8c (x,y,z;mx,my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y+1/2,z;-mx,-my,-mz) (-x,-y+1/2,z+1/2;mx,my,-mz) (-x,y+1/2,z;-mx,my,mz) (x,-y+1/2,z+1/2;mx,-my,mz) 4b (1/2,y,z;mx,0,0) (1/2,-y,z+1/2;-mx,0,0) (1/2,y+1/2,z;-mx,0,0) (1/2,-y+1/2,z+1/2;mx,0,0) 4a (0,y,z;mx,0,0) (0,-y,z+1/2;-mx,0,0) (0,y+1/2,z;-mx,0,0) (0,-y+1/2,z+1/2;mx,0,0) Operators (OG): (1|0,0,0) (2z|0,0,1/2) (mx|0,0,0) (my|0,0,1/2) (1|0,1,0)' (2z|0,1,1/2)' (mx|0,1,0)' (my|0,1,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,2,0)+ (0,0,1)+ 8c (x,y,z;mx,my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y+1,z;-mx,-my,-mz) (-x,-y+1,z+1/2;mx,my,-mz) (-x,y+1,z;-mx,my,mz) (x,-y+1,z+1/2;mx,-my,mz) 4b (1/2,y,z;mx,0,0) (-1/2,-y,z+1/2;-mx,0,0) (1/2,y+1,z;-mx,0,0) (-1/2,-y+1,z+1/2;mx,0,0) 4a (0,y,z;mx,0,0) (0,-y,z+1/2;-mx,0,0) (0,y+1,z;-mx,0,0) (0,-y+1,z+1/2;mx,0,0) ---------- UNI: 26.73 Pmc2_1.1'_c[Pmm2] BNS: 26.73 P_cmc2_1 OG: 25.10.164 P_2cmm'2' OG-BNS transformation: (0,0,0;a,b,2c) Operators (BNS): (1|0,0,0) (2z|0,0,1/2) (mx|0,0,0) (my|0,0,1/2) (1|0,0,1/2)' (2z|0,0,0)' (mx|0,0,1/2)' (my|0,0,0)' Wyckoff positions (BNS): 8i (x,y,z;mx,my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,z+1/2;-mx,-my,-mz) (-x,-y,z;mx,my,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z;mx,-my,mz) 4h (1/2,y,z;mx,0,0) (1/2,-y,z+1/2;-mx,0,0) (1/2,y,z+1/2;-mx,0,0) (1/2,-y,z;mx,0,0) 4g (0,y,z;mx,0,0) (0,-y,z+1/2;-mx,0,0) (0,y,z+1/2;-mx,0,0) (0,-y,z;mx,0,0) 4f (x,1/2,z;mx,0,mz) (-x,1/2,z+1/2;-mx,0,mz) (-x,1/2,z;mx,0,-mz) (x,1/2,z+1/2;-mx,0,-mz) 4e (x,0,z;mx,0,mz) (-x,0,z+1/2;-mx,0,mz) (-x,0,z;mx,0,-mz) (x,0,z+1/2;-mx,0,-mz) 2d (1/2,1/2,z;mx,0,0) (1/2,1/2,z+1/2;-mx,0,0) 2c (1/2,0,z;mx,0,0) (1/2,0,z+1/2;-mx,0,0) 2b (0,1/2,z;mx,0,0) (0,1/2,z+1/2;-mx,0,0) 2a (0,0,z;mx,0,0) (0,0,z+1/2;-mx,0,0) Operators (OG): (1|0,0,0) (2z|0,0,1) (mx|0,0,0) (my|0,0,1) (1|0,0,1)' (2z|0,0,0)' (mx|0,0,1)' (my|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 8i (x,y,z;mx,my,mz) (-x,-y,z+1;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z+1;-mx,my,-mz) (x,y,z+1;-mx,-my,-mz) (-x,-y,z;mx,my,-mz) (-x,y,z+1;-mx,my,mz) (x,-y,z;mx,-my,mz) 4h (1/2,y,z;mx,0,0) (-1/2,-y,z+1;-mx,0,0) (1/2,y,z+1;-mx,0,0) (-1/2,-y,z;mx,0,0) 4g (0,y,z;mx,0,0) (0,-y,z+1;-mx,0,0) (0,y,z+1;-mx,0,0) (0,-y,z;mx,0,0) 4f (x,1/2,z;mx,0,mz) (-x,-1/2,z+1;-mx,0,mz) (-x,1/2,z;mx,0,-mz) (x,-1/2,z+1;-mx,0,-mz) 4e (x,0,z;mx,0,mz) (-x,0,z+1;-mx,0,mz) (-x,0,z;mx,0,-mz) (x,0,z+1;-mx,0,-mz) 2d (1/2,1/2,z;mx,0,0) (-1/2,-1/2,z+1;-mx,0,0) 2c (1/2,0,z;mx,0,0) (-1/2,0,z+1;-mx,0,0) 2b (0,1/2,z;mx,0,0) (0,-1/2,z+1;-mx,0,0) 2a (0,0,z;mx,0,0) (0,0,z+1;-mx,0,0) ---------- UNI: 26.74 Pmc2_1.1'_A[Amm2] BNS: 26.74 P_Amc2_1 OG: 38.11.275 A_Pmm'2' OG-BNS transformation: (0,1/4,0;a,b,c) Operators (BNS): (1|0,0,0) (2z|0,0,1/2) (mx|0,0,0) (my|0,0,1/2) (1|0,1/2,1/2)' (2z|0,1/2,0)' (mx|0,1/2,1/2)' (my|0,1/2,0)' Wyckoff positions (BNS): 8f (x,y,z;mx,my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (-x,-y+1/2,z;mx,my,-mz) (-x,y+1/2,z+1/2;-mx,my,mz) (x,-y+1/2,z;mx,-my,mz) 4e (1/2,y,z;mx,0,0) (1/2,-y,z+1/2;-mx,0,0) (1/2,y+1/2,z+1/2;-mx,0,0) (1/2,-y+1/2,z;mx,0,0) 4d (0,y,z;mx,0,0) (0,-y,z+1/2;-mx,0,0) (0,y+1/2,z+1/2;-mx,0,0) (0,-y+1/2,z;mx,0,0) 4c (x,3/4,z;mx,0,mz) (-x,1/4,z+1/2;-mx,0,mz) (-x,3/4,z;mx,0,-mz) (x,1/4,z+1/2;-mx,0,-mz) 2b (1/2,3/4,z;mx,0,0) (1/2,1/4,z+1/2;-mx,0,0) 2a (0,3/4,z;mx,0,0) (0,1/4,z+1/2;-mx,0,0) Operators (OG): (1|0,0,0) (2z|0,1/2,1/2) (mx|0,0,0) (my|0,1/2,1/2) (1|0,1/2,1/2)' (2z|0,0,0)' (mx|0,1/2,1/2)' (my|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8f (x,y,z;mx,my,mz) (-x,-y+1/2,z+1/2;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (-x,-y,z;mx,my,-mz) (-x,y+1/2,z+1/2;-mx,my,mz) (x,-y,z;mx,-my,mz) 4e (1/2,y,z;mx,0,0) (-1/2,-y+1/2,z+1/2;-mx,0,0) (1/2,y+1/2,z+1/2;-mx,0,0) (-1/2,-y,z;mx,0,0) 4d (0,y,z;mx,0,0) (0,-y+1/2,z+1/2;-mx,0,0) (0,y+1/2,z+1/2;-mx,0,0) (0,-y,z;mx,0,0) 4c (x,0,z;mx,0,mz) (-x,1/2,z+1/2;-mx,0,mz) (-x,0,z;mx,0,-mz) (x,1/2,z+1/2;-mx,0,-mz) 2b (1/2,0,z;mx,0,0) (-1/2,1/2,z+1/2;-mx,0,0) 2a (0,0,z;mx,0,0) (0,1/2,z+1/2;-mx,0,0) ---------- UNI: 26.75 Pmc2_1.1'_B[Bma2] BNS: 26.75 P_Bmc2_1 OG: 39.10.287 A_Pb'm2' OG-BNS transformation: (0,1/4,0;b,-a,c) Operators (BNS): (1|0,0,0) (2z|0,0,1/2) (mx|0,0,0) (my|0,0,1/2) (1|1/2,0,1/2)' (2z|1/2,0,0)' (mx|1/2,0,1/2)' (my|1/2,0,0)' Wyckoff positions (BNS): 8d (x,y,z;mx,my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y,z+1/2;-mx,-my,-mz) (-x+1/2,-y,z;mx,my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) 4c (0,y,z;mx,0,0) (0,-y,z+1/2;-mx,0,0) (1/2,y,z+1/2;-mx,0,0) (1/2,-y,z;mx,0,0) 4b (3/4,1/2,z;mx,my,0) (1/4,1/2,z+1/2;-mx,-my,0) (1/4,1/2,z;mx,-my,0) (3/4,1/2,z+1/2;-mx,my,0) 4a (3/4,0,z;mx,my,0) (1/4,0,z+1/2;-mx,-my,0) (1/4,0,z;mx,-my,0) (3/4,0,z+1/2;-mx,my,0) Operators (OG): (1|0,0,0) (2z|0,1/2,1/2) (my|0,1/2,1) (mx|0,0,1/2) (1|0,1/2,1/2)' (2z|0,0,0)' (my|0,0,1/2)' (mx|0,1/2,1)' Wyckoff positions (OG): (0,0,0)+ (0,1,0)+ (-1,0,0)+ (0,0,1)+ 8d (x,y,z;mx,my,mz) (-x,-y+1/2,z+1/2;-mx,-my,mz) (x,-y+1/2,z+1;-mx,my,-mz) (-x,y,z+1/2;mx,-my,-mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (-x,-y,z;mx,my,-mz) (x,-y,z+1/2;mx,-my,mz) (-x,y+1/2,z+1;-mx,my,mz) 4c (x,1/4,z;0,my,0) (-x,1/4,z+1/2;0,-my,0) (x,3/4,z+1/2;0,-my,0) (-x,-1/4,z;0,my,0) 4b (1/2,0,z;mx,my,0) (-1/2,1/2,z+1/2;-mx,-my,0) (1/2,1/2,z+1;-mx,my,0) (-1/2,0,z+1/2;mx,-my,0) 4a (0,0,z;mx,my,0) (0,1/2,z+1/2;-mx,-my,0) (0,1/2,z+1;-mx,my,0) (0,0,z+1/2;mx,-my,0) ---------- UNI: 26.76 Pmc2_1.1'_C[Cmc2_1] BNS: 26.76 P_Cmc2_1 OG: 36.6.254 C_Pmc2_1 OG-BNS transformation: (0,0,0;a,b,c) Operators (BNS): (1|0,0,0) (2z|0,0,1/2) (mx|0,0,0) (my|0,0,1/2) (1|1/2,1/2,0)' (2z|1/2,1/2,1/2)' (mx|1/2,1/2,0)' (my|1/2,1/2,1/2)' Wyckoff positions (BNS): 8b (x,y,z;mx,my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) 4a (0,y,z;mx,0,0) (0,-y,z+1/2;-mx,0,0) (1/2,y+1/2,z;-mx,0,0) (1/2,-y+1/2,z+1/2;mx,0,0) Operators (OG): (1|0,0,0) (2z|0,0,1/2) (mx|0,0,0) (my|0,0,1/2) (1|1/2,1/2,0)' (2z|1/2,1/2,1/2)' (mx|1/2,1/2,0)' (my|1/2,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8b (x,y,z;mx,my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) 4a (0,y,z;mx,0,0) (0,-y,z+1/2;-mx,0,0) (1/2,y+1/2,z;-mx,0,0) (1/2,-y+1/2,z+1/2;mx,0,0) ---------- UNI: 26.77 Pmc2_1.1'_I[Ima2] BNS: 26.77 P_Imc2_1 OG: 46.8.345 I_Pma'2' OG-BNS transformation: (1/4,1/4,0;a,b,c) Operators (BNS): (1|0,0,0) (2z|0,0,1/2) (mx|0,0,0) (my|0,0,1/2) (1|1/2,1/2,1/2)' (2z|1/2,1/2,0)' (mx|1/2,1/2,1/2)' (my|1/2,1/2,0)' Wyckoff positions (BNS): 8c (x,y,z;mx,my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z;mx,-my,mz) 4b (0,y,z;mx,0,0) (0,-y,z+1/2;-mx,0,0) (1/2,y+1/2,z+1/2;-mx,0,0) (1/2,-y+1/2,z;mx,0,0) 4a (3/4,3/4,z;mx,my,0) (1/4,1/4,z+1/2;-mx,-my,0) (1/4,3/4,z;mx,-my,0) (3/4,1/4,z+1/2;-mx,my,0) Operators (OG): (1|0,0,0) (2z|1/2,1/2,1/2) (mx|1/2,0,0) (my|1,1/2,1/2) (1|1/2,1/2,1/2)' (2z|0,0,0)' (mx|1,1/2,1/2)' (my|1/2,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8c (x,y,z;mx,my,mz) (-x+1/2,-y+1/2,z+1/2;-mx,-my,mz) (-x+1/2,y,z;mx,-my,-mz) (x+1,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-x,-y,z;mx,my,-mz) (-x+1,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) 4b (1/4,y,z;mx,0,0) (1/4,-y+1/2,z+1/2;-mx,0,0) (3/4,y+1/2,z+1/2;-mx,0,0) (-1/4,-y,z;mx,0,0) 4a (0,0,z;mx,my,0) (1/2,1/2,z+1/2;-mx,-my,0) (1/2,0,z;mx,-my,0) (1,1/2,z+1/2;-mx,my,0) ---------- UNI: 27.78 Pcc2.1 BNS: 27.78 Pcc2 OG: 27.1.178 Pcc2 Operators: (1|0,0,0) (2z|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) Wyckoff positions: 4e (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) 2d (1/2,1/2,z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) 2c (1/2,0,z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) 2b (0,1/2,z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) 2a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) ---------- UNI: 27.79 Pcc2.1' BNS: 27.79 Pcc21' OG: 27.2.179 Pcc21' Operators: (1|0,0,0) (2z|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (1|0,0,0)' (2z|0,0,0)' (mx|0,0,1/2)' (my|0,0,1/2)' Wyckoff positions: 4e (x,y,z;0,0,0) (-x,-y,z;0,0,0) (-x,y,z+1/2;0,0,0) (x,-y,z+1/2;0,0,0) 2d (1/2,1/2,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) 2c (1/2,0,z;0,0,0) (1/2,0,z+1/2;0,0,0) 2b (0,1/2,z;0,0,0) (0,1/2,z+1/2;0,0,0) 2a (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) ---------- UNI: 27.80 Pc'c2' BNS: 27.80 Pc'c2' OG: 27.3.180 Pc'c2' Operators: (1|0,0,0) (2z|0,0,0)' (mx|0,0,1/2)' (my|0,0,1/2) Wyckoff positions: 4e (x,y,z;mx,my,mz) (-x,-y,z;mx,my,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) 2d (1/2,1/2,z;mx,my,0) (1/2,1/2,z+1/2;-mx,my,0) 2c (1/2,0,z;mx,my,0) (1/2,0,z+1/2;-mx,my,0) 2b (0,1/2,z;mx,my,0) (0,1/2,z+1/2;-mx,my,0) 2a (0,0,z;mx,my,0) (0,0,z+1/2;-mx,my,0) ---------- UNI: 27.81 Pc'c'2 BNS: 27.81 Pc'c'2 OG: 27.4.181 Pc'c'2 Operators: (1|0,0,0) (2z|0,0,0) (mx|0,0,1/2)' (my|0,0,1/2)' Wyckoff positions: 4e (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) 2d (1/2,1/2,z;0,0,mz) (1/2,1/2,z+1/2;0,0,mz) 2c (1/2,0,z;0,0,mz) (1/2,0,z+1/2;0,0,mz) 2b (0,1/2,z;0,0,mz) (0,1/2,z+1/2;0,0,mz) 2a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,mz) ---------- UNI: 27.82 Pcc2.1'_c[Pmm2] BNS: 27.82 P_ccc2 OG: 25.11.165 P_2cm'm'2 OG-BNS transformation: (0,0,0;a,b,2c) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (1|0,0,1/2)' (2z|0,0,1/2)' (mx|0,0,0)' (my|0,0,0)' Wyckoff positions (BNS): 8i (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,z+1/2;-mx,-my,-mz) (-x,-y,z+1/2;mx,my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) 4h (1/2,y,z;0,my,mz) (1/2,-y,z;0,-my,mz) (1/2,y,z+1/2;0,-my,-mz) (1/2,-y,z+1/2;0,my,-mz) 4g (0,y,z;0,my,mz) (0,-y,z;0,-my,mz) (0,y,z+1/2;0,-my,-mz) (0,-y,z+1/2;0,my,-mz) 4f (x,1/2,z;mx,0,mz) (-x,1/2,z;-mx,0,mz) (-x,1/2,z+1/2;mx,0,-mz) (x,1/2,z+1/2;-mx,0,-mz) 4e (x,0,z;mx,0,mz) (-x,0,z;-mx,0,mz) (-x,0,z+1/2;mx,0,-mz) (x,0,z+1/2;-mx,0,-mz) 2d (1/2,1/2,z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) 2c (1/2,0,z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) 2b (0,1/2,z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) 2a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|0,0,1) (my|0,0,1) (1|0,0,1)' (2z|0,0,1)' (mx|0,0,0)' (my|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 8i (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1;mx,-my,-mz) (x,-y,z+1;-mx,my,-mz) (x,y,z+1;-mx,-my,-mz) (-x,-y,z+1;mx,my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) 4h (1/2,y,z;0,my,mz) (-1/2,-y,z;0,-my,mz) (-1/2,y,z+1;0,-my,-mz) (1/2,-y,z+1;0,my,-mz) 4g (0,y,z;0,my,mz) (0,-y,z;0,-my,mz) (0,y,z+1;0,-my,-mz) (0,-y,z+1;0,my,-mz) 4f (x,1/2,z;mx,0,mz) (-x,-1/2,z;-mx,0,mz) (-x,1/2,z+1;mx,0,-mz) (x,-1/2,z+1;-mx,0,-mz) 4e (x,0,z;mx,0,mz) (-x,0,z;-mx,0,mz) (-x,0,z+1;mx,0,-mz) (x,0,z+1;-mx,0,-mz) 2d (1/2,1/2,z;0,0,mz) (-1/2,1/2,z+1;0,0,-mz) 2c (1/2,0,z;0,0,mz) (-1/2,0,z+1;0,0,-mz) 2b (0,1/2,z;0,0,mz) (0,1/2,z+1;0,0,-mz) 2a (0,0,z;0,0,mz) (0,0,z+1;0,0,-mz) ---------- UNI: 27.83 Pcc2.1'_a[Pcc2] BNS: 27.83 P_acc2 OG: 27.5.182 P_2acc2 OG-BNS transformation: (0,0,0;2a,b,c) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (1|1/2,0,0)' (2z|1/2,0,0)' (mx|1/2,0,1/2)' (my|1/2,0,1/2)' Wyckoff positions (BNS): 8e (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y,z;-mx,-my,-mz) (-x+1/2,-y,z;mx,my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) 4d (1/4,1/2,z;mx,my,0) (3/4,1/2,z;-mx,-my,0) (3/4,1/2,z+1/2;mx,-my,0) (1/4,1/2,z+1/2;-mx,my,0) 4c (1/4,0,z;mx,my,0) (3/4,0,z;-mx,-my,0) (3/4,0,z+1/2;mx,-my,0) (1/4,0,z+1/2;-mx,my,0) 4b (0,1/2,z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) (1/2,1/2,z;0,0,-mz) (1/2,1/2,z+1/2;0,0,mz) 4a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) (1/2,0,z;0,0,-mz) (1/2,0,z+1/2;0,0,mz) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (1|1,0,0)' (2z|1,0,0)' (mx|1,0,1/2)' (my|1,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,1,0)+ (0,0,1)+ 8e (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1,y,z;-mx,-my,-mz) (-x+1,-y,z;mx,my,-mz) (-x+1,y,z+1/2;-mx,my,mz) (x+1,-y,z+1/2;mx,-my,mz) 4d (1/2,1/2,z;mx,my,0) (-1/2,-1/2,z;-mx,-my,0) (-1/2,1/2,z+1/2;mx,-my,0) (1/2,-1/2,z+1/2;-mx,my,0) 4c (1/2,0,z;mx,my,0) (-1/2,0,z;-mx,-my,0) (-1/2,0,z+1/2;mx,-my,0) (1/2,0,z+1/2;-mx,my,0) 4b (0,1/2,z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) (1,1/2,z;0,0,-mz) (1,1/2,z+1/2;0,0,mz) 4a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) (1,0,z;0,0,-mz) (1,0,z+1/2;0,0,mz) ---------- UNI: 27.84 Pcc2.1'_C[Ccc2] BNS: 27.84 P_Ccc2 OG: 37.5.262 C_Pcc2 OG-BNS transformation: (0,0,0;a,b,c) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (1|1/2,1/2,0)' (2z|1/2,1/2,0)' (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2)' Wyckoff positions (BNS): 8d (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) 4c (1/4,1/4,z;mx,my,0) (3/4,3/4,z;-mx,-my,0) (3/4,1/4,z+1/2;mx,-my,0) (1/4,3/4,z+1/2;-mx,my,0) 4b (0,1/2,z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) (1/2,0,z;0,0,-mz) (1/2,0,z+1/2;0,0,mz) 4a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) (1/2,1/2,z;0,0,-mz) (1/2,1/2,z+1/2;0,0,mz) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (1|1/2,1/2,0)' (2z|1/2,1/2,0)' (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8d (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) 4c (1/4,1/4,z;mx,my,0) (-1/4,-1/4,z;-mx,-my,0) (-1/4,1/4,z+1/2;mx,-my,0) (1/4,-1/4,z+1/2;-mx,my,0) 4b (0,1/2,z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) (1/2,1,z;0,0,-mz) (1/2,1,z+1/2;0,0,mz) 4a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) (1/2,1/2,z;0,0,-mz) (1/2,1/2,z+1/2;0,0,mz) ---------- UNI: 27.85 Pcc2.1'_A[Abm2] BNS: 27.85 P_Acc2 OG: 39.12.289 A_Pb'm'2 OG-BNS transformation: (0,0,0;a,b,c) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (1|0,1/2,1/2)' (2z|0,1/2,1/2)' (mx|0,1/2,0)' (my|0,1/2,0)' Wyckoff positions (BNS): 8d (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (-x,-y+1/2,z+1/2;mx,my,-mz) (-x,y+1/2,z;-mx,my,mz) (x,-y+1/2,z;mx,-my,mz) 4c (x,1/4,z;mx,0,mz) (-x,3/4,z;-mx,0,mz) (-x,1/4,z+1/2;mx,0,-mz) (x,3/4,z+1/2;-mx,0,-mz) 4b (1/2,0,z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) (1/2,1/2,z;0,0,mz) 4a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) (0,1/2,z;0,0,mz) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (1|0,1/2,1/2)' (2z|0,1/2,1/2)' (mx|0,1/2,1)' (my|0,1/2,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8d (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (-x,-y+1/2,z+1/2;mx,my,-mz) (-x,y+1/2,z+1;-mx,my,mz) (x,-y+1/2,z+1;mx,-my,mz) 4c (x,1/4,z;mx,0,mz) (-x,-1/4,z;-mx,0,mz) (-x,1/4,z+1/2;mx,0,-mz) (x,-1/4,z+1/2;-mx,0,-mz) 4b (1/2,0,z;0,0,mz) (-1/2,0,z+1/2;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) (-1/2,1/2,z+1;0,0,mz) 4a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) (0,1/2,z+1;0,0,mz) ---------- UNI: 27.86 Pcc2.1'_I[Iba2] BNS: 27.86 P_Icc2 OG: 45.5.335 I_Pba2 OG-BNS transformation: (0,0,0;a,b,c) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (1|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (mx|1/2,1/2,0)' (my|1/2,1/2,0)' Wyckoff positions (BNS): 8c (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z;mx,-my,mz) 4b (0,1/2,z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) (1/2,0,z+1/2;0,0,-mz) (1/2,0,z;0,0,mz) 4a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) (1/2,1/2,z;0,0,mz) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (1|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (mx|1/2,1/2,1)' (my|1/2,1/2,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8c (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,y+1/2,z+1;-mx,my,mz) (x+1/2,-y+1/2,z+1;mx,-my,mz) 4b (0,1/2,z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) (1/2,1,z+1/2;0,0,-mz) (1/2,1,z+1;0,0,mz) 4a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) (1/2,1/2,z+1;0,0,mz) ---------- UNI: 28.87 Pma2.1 BNS: 28.87 Pma2 OG: 28.1.185 Pma2 Operators: (1|0,0,0) (2z|0,0,0) (mx|1/2,0,0) (my|1/2,0,0) Wyckoff positions: 4d (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y,z;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) 2c (1/4,y,z;mx,0,0) (3/4,-y,z;-mx,0,0) 2b (0,1/2,z;0,0,mz) (1/2,1/2,z;0,0,-mz) 2a (0,0,z;0,0,mz) (1/2,0,z;0,0,-mz) ---------- UNI: 28.88 Pma2.1' BNS: 28.88 Pma21' OG: 28.2.186 Pma21' Operators: (1|0,0,0) (2z|0,0,0) (mx|1/2,0,0) (my|1/2,0,0) (1|0,0,0)' (2z|0,0,0)' (mx|1/2,0,0)' (my|1/2,0,0)' Wyckoff positions: 4d (x,y,z;0,0,0) (-x,-y,z;0,0,0) (-x+1/2,y,z;0,0,0) (x+1/2,-y,z;0,0,0) 2c (1/4,y,z;0,0,0) (3/4,-y,z;0,0,0) 2b (0,1/2,z;0,0,0) (1/2,1/2,z;0,0,0) 2a (0,0,z;0,0,0) (1/2,0,z;0,0,0) ---------- UNI: 28.89 Pm'a2' BNS: 28.89 Pm'a2' OG: 28.3.187 Pm'a2' Operators: (1|0,0,0) (2z|0,0,0)' (mx|1/2,0,0)' (my|1/2,0,0) Wyckoff positions: 4d (x,y,z;mx,my,mz) (-x,-y,z;mx,my,-mz) (-x+1/2,y,z;-mx,my,mz) (x+1/2,-y,z;-mx,my,-mz) 2c (1/4,y,z;0,my,mz) (3/4,-y,z;0,my,-mz) 2b (0,1/2,z;mx,my,0) (1/2,1/2,z;-mx,my,0) 2a (0,0,z;mx,my,0) (1/2,0,z;-mx,my,0) ---------- UNI: 28.90 Pma'2' BNS: 28.90 Pma'2' OG: 28.4.188 Pma'2' Operators: (1|0,0,0) (2z|0,0,0)' (mx|1/2,0,0) (my|1/2,0,0)' Wyckoff positions: 4d (x,y,z;mx,my,mz) (-x,-y,z;mx,my,-mz) (-x+1/2,y,z;mx,-my,-mz) (x+1/2,-y,z;mx,-my,mz) 2c (1/4,y,z;mx,0,0) (3/4,-y,z;mx,0,0) 2b (0,1/2,z;mx,my,0) (1/2,1/2,z;mx,-my,0) 2a (0,0,z;mx,my,0) (1/2,0,z;mx,-my,0) ---------- UNI: 28.91 Pm'a'2 BNS: 28.91 Pm'a'2 OG: 28.5.189 Pm'a'2 Operators: (1|0,0,0) (2z|0,0,0) (mx|1/2,0,0)' (my|1/2,0,0)' Wyckoff positions: 4d (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y,z;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) 2c (1/4,y,z;0,my,mz) (3/4,-y,z;0,-my,mz) 2b (0,1/2,z;0,0,mz) (1/2,1/2,z;0,0,mz) 2a (0,0,z;0,0,mz) (1/2,0,z;0,0,mz) ---------- UNI: 28.92 Pma2.1'_a[Pmm2] BNS: 28.92 P_ama2 OG: 25.12.166 P_2am'm'2 OG-BNS transformation: (0,0,0;2a,b,c) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|1/2,0,0) (my|1/2,0,0) (1|1/2,0,0)' (2z|1/2,0,0)' (mx|0,0,0)' (my|0,0,0)' Wyckoff positions (BNS): 8i (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y,z;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x+1/2,y,z;-mx,-my,-mz) (-x+1/2,-y,z;mx,my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) 4h (1/4,y,z;mx,0,0) (3/4,-y,z;-mx,0,0) (3/4,y,z;-mx,0,0) (1/4,-y,z;mx,0,0) 4g (0,y,z;0,my,mz) (0,-y,z;0,-my,mz) (1/2,y,z;0,-my,-mz) (1/2,-y,z;0,my,-mz) 4f (x,1/2,z;mx,0,mz) (-x,1/2,z;-mx,0,mz) (-x+1/2,1/2,z;mx,0,-mz) (x+1/2,1/2,z;-mx,0,-mz) 4e (x,0,z;mx,0,mz) (-x,0,z;-mx,0,mz) (-x+1/2,0,z;mx,0,-mz) (x+1/2,0,z;-mx,0,-mz) 2d (1/4,1/2,z;mx,0,0) (3/4,1/2,z;-mx,0,0) 2c (1/4,0,z;mx,0,0) (3/4,0,z;-mx,0,0) 2b (0,1/2,z;0,0,mz) (1/2,1/2,z;0,0,-mz) 2a (0,0,z;0,0,mz) (1/2,0,z;0,0,-mz) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|1,0,0) (my|1,0,0) (1|1,0,0)' (2z|1,0,0)' (mx|0,0,0)' (my|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,1,0)+ (0,0,1)+ 8i (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1,y,z;mx,-my,-mz) (x+1,-y,z;-mx,my,-mz) (x+1,y,z;-mx,-my,-mz) (-x+1,-y,z;mx,my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) 4h (1/2,y,z;mx,0,0) (-1/2,-y,z;-mx,0,0) (3/2,y,z;-mx,0,0) (1/2,-y,z;mx,0,0) 4g (0,y,z;0,my,mz) (0,-y,z;0,-my,mz) (1,y,z;0,-my,-mz) (1,-y,z;0,my,-mz) 4f (x,1/2,z;mx,0,mz) (-x,-1/2,z;-mx,0,mz) (-x+1,1/2,z;mx,0,-mz) (x+1,-1/2,z;-mx,0,-mz) 4e (x,0,z;mx,0,mz) (-x,0,z;-mx,0,mz) (-x+1,0,z;mx,0,-mz) (x+1,0,z;-mx,0,-mz) 2d (1/2,1/2,z;mx,0,0) (-1/2,-1/2,z;-mx,0,0) 2c (1/2,0,z;mx,0,0) (-1/2,0,z;-mx,0,0) 2b (0,1/2,z;0,0,mz) (1,1/2,z;0,0,-mz) 2a (0,0,z;0,0,mz) (1,0,z;0,0,-mz) ---------- UNI: 28.93 Pma2.1'_b[Pma2] BNS: 28.93 P_bma2 OG: 28.6.190 P_2bma2 OG-BNS transformation: (0,0,0;a,2b,c) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|1/2,0,0) (my|1/2,0,0) (1|0,1/2,0)' (2z|0,1/2,0)' (mx|1/2,1/2,0)' (my|1/2,1/2,0)' Wyckoff positions (BNS): 8d (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y,z;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x,y+1/2,z;-mx,-my,-mz) (-x,-y+1/2,z;mx,my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z;mx,-my,mz) 4c (1/4,y,z;mx,0,0) (3/4,-y,z;-mx,0,0) (1/4,y+1/2,z;-mx,0,0) (3/4,-y+1/2,z;mx,0,0) 4b (0,1/4,z;mx,my,0) (0,3/4,z;-mx,-my,0) (1/2,1/4,z;mx,-my,0) (1/2,3/4,z;-mx,my,0) 4a (0,0,z;0,0,mz) (1/2,0,z;0,0,-mz) (0,1/2,z;0,0,-mz) (1/2,1/2,z;0,0,mz) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|1/2,0,0) (my|1/2,0,0) (1|0,1,0)' (2z|0,1,0)' (mx|1/2,1,0)' (my|1/2,1,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,2,0)+ (0,0,1)+ 8d (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y,z;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x,y+1,z;-mx,-my,-mz) (-x,-y+1,z;mx,my,-mz) (-x+1/2,y+1,z;-mx,my,mz) (x+1/2,-y+1,z;mx,-my,mz) 4c (1/4,y,z;mx,0,0) (-1/4,-y,z;-mx,0,0) (1/4,y+1,z;-mx,0,0) (-1/4,-y+1,z;mx,0,0) 4b (0,1/2,z;mx,my,0) (0,-1/2,z;-mx,-my,0) (1/2,1/2,z;mx,-my,0) (1/2,-1/2,z;-mx,my,0) 4a (0,0,z;0,0,mz) (1/2,0,z;0,0,-mz) (0,1,z;0,0,-mz) (1/2,1,z;0,0,mz) ---------- UNI: 28.94 Pma2.1'_c[Pma2] BNS: 28.94 P_cma2 OG: 28.7.191 P_2cma2 OG-BNS transformation: (0,0,0;a,b,2c) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|1/2,0,0) (my|1/2,0,0) (1|0,0,1/2)' (2z|0,0,1/2)' (mx|1/2,0,1/2)' (my|1/2,0,1/2)' Wyckoff positions (BNS): 8d (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y,z;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x,y,z+1/2;-mx,-my,-mz) (-x,-y,z+1/2;mx,my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) 4c (1/4,y,z;mx,0,0) (3/4,-y,z;-mx,0,0) (1/4,y,z+1/2;-mx,0,0) (3/4,-y,z+1/2;mx,0,0) 4b (0,1/2,z;0,0,mz) (1/2,1/2,z;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) (1/2,1/2,z+1/2;0,0,mz) 4a (0,0,z;0,0,mz) (1/2,0,z;0,0,-mz) (0,0,z+1/2;0,0,-mz) (1/2,0,z+1/2;0,0,mz) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|1/2,0,0) (my|1/2,0,0) (1|0,0,1)' (2z|0,0,1)' (mx|1/2,0,1)' (my|1/2,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 8d (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y,z;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x,y,z+1;-mx,-my,-mz) (-x,-y,z+1;mx,my,-mz) (-x+1/2,y,z+1;-mx,my,mz) (x+1/2,-y,z+1;mx,-my,mz) 4c (1/4,y,z;mx,0,0) (-1/4,-y,z;-mx,0,0) (1/4,y,z+1;-mx,0,0) (-1/4,-y,z+1;mx,0,0) 4b (0,1/2,z;0,0,mz) (1/2,1/2,z;0,0,-mz) (0,1/2,z+1;0,0,-mz) (1/2,1/2,z+1;0,0,mz) 4a (0,0,z;0,0,mz) (1/2,0,z;0,0,-mz) (0,0,z+1;0,0,-mz) (1/2,0,z+1;0,0,mz) ---------- UNI: 28.95 Pma2.1'_A[Ama2] BNS: 28.95 P_Ama2 OG: 40.6.296 A_Pma2 OG-BNS transformation: (0,0,0;a,b,c) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|1/2,0,0) (my|1/2,0,0) (1|0,1/2,1/2)' (2z|0,1/2,1/2)' (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2)' Wyckoff positions (BNS): 8c (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y,z;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (-x,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) 4b (1/4,y,z;mx,0,0) (3/4,-y,z;-mx,0,0) (1/4,y+1/2,z+1/2;-mx,0,0) (3/4,-y+1/2,z+1/2;mx,0,0) 4a (0,0,z;0,0,mz) (1/2,0,z;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) (1/2,1/2,z+1/2;0,0,mz) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|1/2,0,0) (my|1/2,0,0) (1|0,1/2,1/2)' (2z|0,1/2,1/2)' (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8c (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y,z;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (-x,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) 4b (1/4,y,z;mx,0,0) (-1/4,-y,z;-mx,0,0) (1/4,y+1/2,z+1/2;-mx,0,0) (-1/4,-y+1/2,z+1/2;mx,0,0) 4a (0,0,z;0,0,mz) (1/2,0,z;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) (1/2,1/2,z+1/2;0,0,mz) ---------- UNI: 28.96 Pma2.1'_B[Bma2] BNS: 28.96 P_Bma2 OG: 39.7.284 A_Pbm2 OG-BNS transformation: (0,0,0;b,-a,c) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|1/2,0,0) (my|1/2,0,0) (1|1/2,0,1/2)' (2z|1/2,0,1/2)' (mx|0,0,1/2)' (my|0,0,1/2)' Wyckoff positions (BNS): 8d (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y,z;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x+1/2,y,z+1/2;-mx,-my,-mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) 4c (1/4,y,z;mx,0,0) (3/4,-y,z;-mx,0,0) (3/4,y,z+1/2;-mx,0,0) (1/4,-y,z+1/2;mx,0,0) 4b (0,1/2,z;0,0,mz) (1/2,1/2,z;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) (0,1/2,z+1/2;0,0,mz) 4a (0,0,z;0,0,mz) (1/2,0,z;0,0,-mz) (1/2,0,z+1/2;0,0,-mz) (0,0,z+1/2;0,0,mz) Operators (OG): (1|0,0,0) (2z|0,0,0) (my|0,1/2,1) (mx|0,1/2,1) (1|0,1/2,1/2)' (2z|0,1/2,1/2)' (my|0,0,1/2)' (mx|0,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (0,1,0)+ (-1,0,0)+ (0,0,1)+ 8d (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (x,-y+1/2,z+1;-mx,my,-mz) (-x,y+1/2,z+1;mx,-my,-mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (-x,-y+1/2,z+1/2;mx,my,-mz) (x,-y,z+1/2;mx,-my,mz) (-x,y,z+1/2;-mx,my,mz) 4c (x,1/4,z;0,my,0) (-x,-1/4,z;0,-my,0) (x,3/4,z+1/2;0,-my,0) (-x,1/4,z+1/2;0,my,0) 4b (1/2,0,z;0,0,mz) (1/2,1/2,z+1;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) (1/2,0,z+1/2;0,0,mz) 4a (0,0,z;0,0,mz) (0,1/2,z+1;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) (0,0,z+1/2;0,0,mz) ---------- UNI: 28.97 Pma2.1'_C[Cmm2] BNS: 28.97 P_Cma2 OG: 35.10.245 C_Pm'm2' OG-BNS transformation: (1/4,1/4,0;b,-a,c) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|1/2,0,0) (my|1/2,0,0) (1|1/2,1/2,0)' (2z|1/2,1/2,0)' (mx|0,1/2,0)' (my|0,1/2,0)' Wyckoff positions (BNS): 8f (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y,z;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x,y+1/2,z;-mx,my,mz) (x,-y+1/2,z;mx,-my,mz) 4e (x,1/4,z;mx,0,mz) (-x,3/4,z;-mx,0,mz) (-x+1/2,1/4,z;mx,0,-mz) (x+1/2,3/4,z;-mx,0,-mz) 4d (3/4,y,z;mx,0,0) (1/4,-y,z;-mx,0,0) (1/4,y+1/2,z;-mx,0,0) (3/4,-y+1/2,z;mx,0,0) 4c (0,0,z;0,0,mz) (1/2,0,z;0,0,-mz) (1/2,1/2,z;0,0,-mz) (0,1/2,z;0,0,mz) 2b (1/4,1/4,z;mx,0,0) (3/4,3/4,z;-mx,0,0) 2a (3/4,1/4,z;mx,0,0) (1/4,3/4,z;-mx,0,0) Operators (OG): (1|0,0,0) (2z|1/2,1/2,0) (my|0,0,0) (mx|1/2,1/2,0) (1|1/2,1/2,0)' (2z|0,0,0)' (my|1/2,1/2,0)' (mx|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (0,1,0)+ (-1,0,0)+ (0,0,1)+ 8f (x,y,z;mx,my,mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (x,-y,z;-mx,my,-mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x,-y,z;mx,my,-mz) (x+1/2,-y+1/2,z;mx,-my,mz) (-x,y,z;-mx,my,mz) 4e (0,y,z;0,my,mz) (1/2,-y+1/2,z;0,-my,mz) (0,-y,z;0,my,-mz) (1/2,y+1/2,z;0,-my,-mz) 4d (x,0,z;0,my,0) (-x+1/2,1/2,z;0,-my,0) (x+1/2,1/2,z;0,-my,0) (-x,0,z;0,my,0) 4c (1/4,1/4,z;0,0,mz) (1/4,-1/4,z;0,0,-mz) (3/4,3/4,z;0,0,-mz) (3/4,1/4,z;0,0,mz) 2b (0,1/2,z;0,my,0) (1/2,0,z;0,-my,0) 2a (0,0,z;0,my,0) (1/2,1/2,z;0,-my,0) ---------- UNI: 28.98 Pma2.1'_I[Ima2] BNS: 28.98 P_Ima2 OG: 46.6.343 I_Pma2 OG-BNS transformation: (0,0,0;a,b,c) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|1/2,0,0) (my|1/2,0,0) (1|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (mx|0,1/2,1/2)' (my|0,1/2,1/2)' Wyckoff positions (BNS): 8c (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y,z;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x,y+1/2,z+1/2;-mx,my,mz) (x,-y+1/2,z+1/2;mx,-my,mz) 4b (1/4,y,z;mx,0,0) (3/4,-y,z;-mx,0,0) (3/4,y+1/2,z+1/2;-mx,0,0) (1/4,-y+1/2,z+1/2;mx,0,0) 4a (0,0,z;0,0,mz) (1/2,0,z;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) (0,1/2,z+1/2;0,0,mz) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|1/2,0,0) (my|1/2,0,0) (1|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (mx|1,1/2,1/2)' (my|1,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8c (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y,z;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x+1,y+1/2,z+1/2;-mx,my,mz) (x+1,-y+1/2,z+1/2;mx,-my,mz) 4b (1/4,y,z;mx,0,0) (-1/4,-y,z;-mx,0,0) (3/4,y+1/2,z+1/2;-mx,0,0) (1/4,-y+1/2,z+1/2;mx,0,0) 4a (0,0,z;0,0,mz) (1/2,0,z;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) (1,1/2,z+1/2;0,0,mz) ---------- UNI: 29.99 Pca2_1.1 BNS: 29.99 Pca2_1 OG: 29.1.198 Pca2_1 Operators: (1|0,0,0) (2z|0,0,1/2) (mx|1/2,0,1/2) (my|1/2,0,0) Wyckoff positions: 4a (x,y,z;mx,my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) ---------- UNI: 29.100 Pca2_1.1' BNS: 29.100 Pca2_11' OG: 29.2.199 Pca2_11' Operators: (1|0,0,0) (2z|0,0,1/2) (mx|1/2,0,1/2) (my|1/2,0,0) (1|0,0,0)' (2z|0,0,1/2)' (mx|1/2,0,1/2)' (my|1/2,0,0)' Wyckoff positions: 4a (x,y,z;0,0,0) (-x,-y,z+1/2;0,0,0) (-x+1/2,y,z+1/2;0,0,0) (x+1/2,-y,z;0,0,0) ---------- UNI: 29.101 Pc'a2_1' BNS: 29.101 Pc'a2_1' OG: 29.3.200 Pc'a2_1' Operators: (1|0,0,0) (2z|0,0,1/2)' (mx|1/2,0,1/2)' (my|1/2,0,0) Wyckoff positions: 4a (x,y,z;mx,my,mz) (-x,-y,z+1/2;mx,my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x+1/2,-y,z;-mx,my,-mz) ---------- UNI: 29.102 Pca'2_1' BNS: 29.102 Pca'2_1' OG: 29.4.201 Pca'2_1' Operators: (1|0,0,0) (2z|0,0,1/2)' (mx|1/2,0,1/2) (my|1/2,0,0)' Wyckoff positions: 4a (x,y,z;mx,my,mz) (-x,-y,z+1/2;mx,my,-mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x+1/2,-y,z;mx,-my,mz) ---------- UNI: 29.103 Pc'a'2_1 BNS: 29.103 Pc'a'2_1 OG: 29.5.202 Pc'a'2_1 Operators: (1|0,0,0) (2z|0,0,1/2) (mx|1/2,0,1/2)' (my|1/2,0,0)' Wyckoff positions: 4a (x,y,z;mx,my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) ---------- UNI: 29.104 Pca2_1.1'_a[Pcm2_1] BNS: 29.104 P_aca2_1 OG: 26.10.177 P_2bm'c'2_1 OG-BNS transformation: (0,0,0;2b,-a,c) Operators (BNS): (1|0,0,0) (2z|0,0,1/2) (mx|1/2,0,1/2) (my|1/2,0,0) (1|1/2,0,0)' (2z|1/2,0,1/2)' (mx|0,0,1/2)' (my|0,0,0)' Wyckoff positions (BNS): 8c (x,y,z;mx,my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x+1/2,y,z;-mx,-my,-mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z;mx,-my,mz) 4b (x,1/2,z;mx,0,mz) (-x,1/2,z+1/2;-mx,0,mz) (-x+1/2,1/2,z+1/2;mx,0,-mz) (x+1/2,1/2,z;-mx,0,-mz) 4a (x,0,z;mx,0,mz) (-x,0,z+1/2;-mx,0,mz) (-x+1/2,0,z+1/2;mx,0,-mz) (x+1/2,0,z;-mx,0,-mz) Operators (OG): (1|0,0,0) (2z|0,0,1/2) (my|0,1,1/2) (mx|0,1,0) (1|0,1,0)' (2z|0,1,1/2)' (my|0,0,1/2)' (mx|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (0,2,0)+ (-1,0,0)+ (0,0,1)+ 8c (x,y,z;mx,my,mz) (-x,-y,z+1/2;-mx,-my,mz) (x,-y+1,z+1/2;-mx,my,-mz) (-x,y+1,z;mx,-my,-mz) (x,y+1,z;-mx,-my,-mz) (-x,-y+1,z+1/2;mx,my,-mz) (x,-y,z+1/2;mx,-my,mz) (-x,y,z;-mx,my,mz) 4b (1/2,y,z;0,my,mz) (-1/2,-y,z+1/2;0,-my,mz) (1/2,-y+1,z+1/2;0,my,-mz) (-1/2,y+1,z;0,-my,-mz) 4a (0,y,z;0,my,mz) (0,-y,z+1/2;0,-my,mz) (0,-y+1,z+1/2;0,my,-mz) (0,y+1,z;0,-my,-mz) ---------- UNI: 29.105 Pca2_1.1'_b[Pca2_1] BNS: 29.105 P_bca2_1 OG: 29.6.203 P_2bca2_1 OG-BNS transformation: (0,0,0;a,2b,c) Operators (BNS): (1|0,0,0) (2z|0,0,1/2) (mx|1/2,0,1/2) (my|1/2,0,0) (1|0,1/2,0)' (2z|0,1/2,1/2)' (mx|1/2,1/2,1/2)' (my|1/2,1/2,0)' Wyckoff positions (BNS): 8a (x,y,z;mx,my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x,y+1/2,z;-mx,-my,-mz) (-x,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z;mx,-my,mz) Operators (OG): (1|0,0,0) (2z|0,0,1/2) (mx|1/2,0,1/2) (my|1/2,0,0) (1|0,1,0)' (2z|0,1,1/2)' (mx|1/2,1,1/2)' (my|1/2,1,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,2,0)+ (0,0,1)+ 8a (x,y,z;mx,my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x,y+1,z;-mx,-my,-mz) (-x,-y+1,z+1/2;mx,my,-mz) (-x+1/2,y+1,z+1/2;-mx,my,mz) (x+1/2,-y+1,z;mx,-my,mz) ---------- UNI: 29.106 Pca2_1.1'_c[Pma2] BNS: 29.106 P_cca2_1 OG: 28.10.194 P_2cm'a2' OG-BNS transformation: (0,0,0;a,b,2c) Operators (BNS): (1|0,0,0) (2z|0,0,1/2) (mx|1/2,0,1/2) (my|1/2,0,0) (1|0,0,1/2)' (2z|0,0,0)' (mx|1/2,0,0)' (my|1/2,0,1/2)' Wyckoff positions (BNS): 8d (x,y,z;mx,my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x,y,z+1/2;-mx,-my,-mz) (-x,-y,z;mx,my,-mz) (-x+1/2,y,z;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) 4c (1/4,y,z;0,my,mz) (3/4,-y,z+1/2;0,-my,mz) (1/4,y,z+1/2;0,-my,-mz) (3/4,-y,z;0,my,-mz) 4b (0,1/2,z;mx,my,0) (0,1/2,z+1/2;-mx,-my,0) (1/2,1/2,z+1/2;mx,-my,0) (1/2,1/2,z;-mx,my,0) 4a (0,0,z;mx,my,0) (0,0,z+1/2;-mx,-my,0) (1/2,0,z+1/2;mx,-my,0) (1/2,0,z;-mx,my,0) Operators (OG): (1|0,0,0) (2z|0,0,1) (mx|1/2,0,1) (my|1/2,0,0) (1|0,0,1)' (2z|0,0,0)' (mx|1/2,0,0)' (my|1/2,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 8d (x,y,z;mx,my,mz) (-x,-y,z+1;-mx,-my,mz) (-x+1/2,y,z+1;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x,y,z+1;-mx,-my,-mz) (-x,-y,z;mx,my,-mz) (-x+1/2,y,z;-mx,my,mz) (x+1/2,-y,z+1;mx,-my,mz) 4c (1/4,y,z;0,my,mz) (-1/4,-y,z+1;0,-my,mz) (1/4,y,z+1;0,-my,-mz) (3/4,-y,z;0,my,-mz) 4b (0,1/2,z;mx,my,0) (0,-1/2,z+1;-mx,-my,0) (1/2,1/2,z+1;mx,-my,0) (1/2,-1/2,z;-mx,my,0) 4a (0,0,z;mx,my,0) (0,0,z+1;-mx,-my,0) (1/2,0,z+1;mx,-my,0) (1/2,0,z;-mx,my,0) ---------- UNI: 29.107 Pca2_1.1'_A[Aba2] BNS: 29.107 P_Aca2_1 OG: 41.7.306 A_Pb'a2' OG-BNS transformation: (0,1/4,0;a,b,c) Operators (BNS): (1|0,0,0) (2z|0,0,1/2) (mx|1/2,0,1/2) (my|1/2,0,0) (1|0,1/2,1/2)' (2z|0,1/2,0)' (mx|1/2,1/2,0)' (my|1/2,1/2,1/2)' Wyckoff positions (BNS): 8b (x,y,z;mx,my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (-x,-y+1/2,z;mx,my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) 4a (0,3/4,z;mx,my,0) (0,1/4,z+1/2;-mx,-my,0) (1/2,3/4,z+1/2;mx,-my,0) (1/2,1/4,z;-mx,my,0) Operators (OG): (1|0,0,0) (2z|0,1/2,1/2) (mx|1/2,0,1/2) (my|1/2,1/2,1) (1|0,1/2,1/2)' (2z|0,0,0)' (mx|1/2,1/2,1)' (my|1/2,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8b (x,y,z;mx,my,mz) (-x,-y+1/2,z+1/2;-mx,-my,mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1;-mx,my,-mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (-x,-y,z;mx,my,-mz) (-x+1/2,y+1/2,z+1;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) 4a (0,0,z;mx,my,0) (0,1/2,z+1/2;-mx,-my,0) (1/2,0,z+1/2;mx,-my,0) (1/2,1/2,z+1;-mx,my,0) ---------- UNI: 29.108 Pca2_1.1'_B[Bma2] BNS: 29.108 P_Bca2_1 OG: 39.11.288 A_Pbm'2' OG-BNS transformation: (0,1/4,0;b,-a,c) Operators (BNS): (1|0,0,0) (2z|0,0,1/2) (mx|1/2,0,1/2) (my|1/2,0,0) (1|1/2,0,1/2)' (2z|1/2,0,0)' (mx|0,0,0)' (my|0,0,1/2)' Wyckoff positions (BNS): 8d (x,y,z;mx,my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x+1/2,y,z+1/2;-mx,-my,-mz) (-x+1/2,-y,z;mx,my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) 4c (0,y,z;0,my,mz) (0,-y,z+1/2;0,-my,mz) (1/2,y,z+1/2;0,-my,-mz) (1/2,-y,z;0,my,-mz) 4b (3/4,1/2,z;mx,my,0) (1/4,1/2,z+1/2;-mx,-my,0) (3/4,1/2,z+1/2;mx,-my,0) (1/4,1/2,z;-mx,my,0) 4a (3/4,0,z;mx,my,0) (1/4,0,z+1/2;-mx,-my,0) (3/4,0,z+1/2;mx,-my,0) (1/4,0,z;-mx,my,0) Operators (OG): (1|0,0,0) (2z|0,1/2,1/2) (my|0,0,1/2) (mx|0,1/2,1) (1|0,1/2,1/2)' (2z|0,0,0)' (my|0,1/2,1)' (mx|0,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (0,1,0)+ (-1,0,0)+ (0,0,1)+ 8d (x,y,z;mx,my,mz) (-x,-y+1/2,z+1/2;-mx,-my,mz) (x,-y,z+1/2;-mx,my,-mz) (-x,y+1/2,z+1;mx,-my,-mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (-x,-y,z;mx,my,-mz) (x,-y+1/2,z+1;mx,-my,mz) (-x,y,z+1/2;-mx,my,mz) 4c (x,1/4,z;mx,0,mz) (-x,1/4,z+1/2;-mx,0,mz) (x,-1/4,z+1/2;-mx,0,-mz) (-x,3/4,z+1;mx,0,-mz) 4b (1/2,0,z;mx,my,0) (-1/2,1/2,z+1/2;-mx,-my,0) (1/2,0,z+1/2;-mx,my,0) (-1/2,1/2,z+1;mx,-my,0) 4a (0,0,z;mx,my,0) (0,1/2,z+1/2;-mx,-my,0) (0,0,z+1/2;-mx,my,0) (0,1/2,z+1;mx,-my,0) ---------- UNI: 29.109 Pca2_1.1'_C[Ccm2_1] BNS: 29.109 P_Cca2_1 OG: 36.7.255 C_Pm'c2_1' OG-BNS transformation: (1/4,1/4,0;b,-a,c) Operators (BNS): (1|0,0,0) (2z|0,0,1/2) (mx|1/2,0,1/2) (my|1/2,0,0) (1|1/2,1/2,0)' (2z|1/2,1/2,1/2)' (mx|0,1/2,1/2)' (my|0,1/2,0)' Wyckoff positions (BNS): 8b (x,y,z;mx,my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x,y+1/2,z+1/2;-mx,my,mz) (x,-y+1/2,z;mx,-my,mz) 4a (x,1/4,z;mx,0,mz) (-x,3/4,z+1/2;-mx,0,mz) (-x+1/2,1/4,z+1/2;mx,0,-mz) (x+1/2,3/4,z;-mx,0,-mz) Operators (OG): (1|0,0,0) (2z|1/2,1/2,1/2) (my|0,0,1/2) (mx|1/2,1/2,0) (1|1/2,1/2,0)' (2z|0,0,1/2)' (my|1/2,1/2,1/2)' (mx|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (0,1,0)+ (-1,0,0)+ (0,0,1)+ 8b (x,y,z;mx,my,mz) (-x+1/2,-y+1/2,z+1/2;-mx,-my,mz) (x,-y,z+1/2;-mx,my,-mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x,-y,z+1/2;mx,my,-mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (-x,y,z;-mx,my,mz) 4a (0,y,z;0,my,mz) (1/2,-y+1/2,z+1/2;0,-my,mz) (0,-y,z+1/2;0,my,-mz) (1/2,y+1/2,z;0,-my,-mz) ---------- UNI: 29.110 Pca2_1.1'_I[Iba2] BNS: 29.110 P_Ica2_1 OG: 45.6.336 I_Pba'2' OG-BNS transformation: (1/4,1/4,0;a,b,c) Operators (BNS): (1|0,0,0) (2z|0,0,1/2) (mx|1/2,0,1/2) (my|1/2,0,0) (1|1/2,1/2,1/2)' (2z|1/2,1/2,0)' (mx|0,1/2,0)' (my|0,1/2,1/2)' Wyckoff positions (BNS): 8c (x,y,z;mx,my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x,y+1/2,z;-mx,my,mz) (x,-y+1/2,z+1/2;mx,-my,mz) 4b (3/4,1/4,z;mx,my,0) (1/4,3/4,z+1/2;-mx,-my,0) (3/4,1/4,z+1/2;mx,-my,0) (1/4,3/4,z;-mx,my,0) 4a (3/4,3/4,z;mx,my,0) (1/4,1/4,z+1/2;-mx,-my,0) (3/4,3/4,z+1/2;mx,-my,0) (1/4,1/4,z;-mx,my,0) Operators (OG): (1|0,0,0) (2z|1/2,1/2,1/2) (mx|0,0,1/2) (my|1/2,1/2,1) (1|1/2,1/2,1/2)' (2z|0,0,0)' (mx|1/2,1/2,1)' (my|0,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8c (x,y,z;mx,my,mz) (-x+1/2,-y+1/2,z+1/2;-mx,-my,mz) (-x,y,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1;-mx,my,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-x,-y,z;mx,my,-mz) (-x+1/2,y+1/2,z+1;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) 4b (0,1/2,z;mx,my,0) (1/2,0,z+1/2;-mx,-my,0) (0,1/2,z+1/2;mx,-my,0) (1/2,0,z+1;-mx,my,0) 4a (0,0,z;mx,my,0) (1/2,1/2,z+1/2;-mx,-my,0) (0,0,z+1/2;mx,-my,0) (1/2,1/2,z+1;-mx,my,0) ---------- UNI: 30.111 Pnc2.1 BNS: 30.111 Pnc2 OG: 30.1.205 Pnc2 Operators: (1|0,0,0) (2z|0,0,0) (mx|0,1/2,1/2) (my|0,1/2,1/2) Wyckoff positions: 4c (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y+1/2,z+1/2;mx,-my,-mz) (x,-y+1/2,z+1/2;-mx,my,-mz) 2b (1/2,0,z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) 2a (0,0,z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) ---------- UNI: 30.112 Pnc2.1' BNS: 30.112 Pnc21' OG: 30.2.206 Pnc21' Operators: (1|0,0,0) (2z|0,0,0) (mx|0,1/2,1/2) (my|0,1/2,1/2) (1|0,0,0)' (2z|0,0,0)' (mx|0,1/2,1/2)' (my|0,1/2,1/2)' Wyckoff positions: 4c (x,y,z;0,0,0) (-x,-y,z;0,0,0) (-x,y+1/2,z+1/2;0,0,0) (x,-y+1/2,z+1/2;0,0,0) 2b (1/2,0,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) 2a (0,0,z;0,0,0) (0,1/2,z+1/2;0,0,0) ---------- UNI: 30.113 Pn'c2' BNS: 30.113 Pn'c2' OG: 30.3.207 Pn'c2' Operators: (1|0,0,0) (2z|0,0,0)' (mx|0,1/2,1/2)' (my|0,1/2,1/2) Wyckoff positions: 4c (x,y,z;mx,my,mz) (-x,-y,z;mx,my,-mz) (-x,y+1/2,z+1/2;-mx,my,mz) (x,-y+1/2,z+1/2;-mx,my,-mz) 2b (1/2,0,z;mx,my,0) (1/2,1/2,z+1/2;-mx,my,0) 2a (0,0,z;mx,my,0) (0,1/2,z+1/2;-mx,my,0) ---------- UNI: 30.114 Pnc'2' BNS: 30.114 Pnc'2' OG: 30.4.208 Pnc'2' Operators: (1|0,0,0) (2z|0,0,0)' (mx|0,1/2,1/2) (my|0,1/2,1/2)' Wyckoff positions: 4c (x,y,z;mx,my,mz) (-x,-y,z;mx,my,-mz) (-x,y+1/2,z+1/2;mx,-my,-mz) (x,-y+1/2,z+1/2;mx,-my,mz) 2b (1/2,0,z;mx,my,0) (1/2,1/2,z+1/2;mx,-my,0) 2a (0,0,z;mx,my,0) (0,1/2,z+1/2;mx,-my,0) ---------- UNI: 30.115 Pn'c'2 BNS: 30.115 Pn'c'2 OG: 30.5.209 Pn'c'2 Operators: (1|0,0,0) (2z|0,0,0) (mx|0,1/2,1/2)' (my|0,1/2,1/2)' Wyckoff positions: 4c (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y+1/2,z+1/2;-mx,my,mz) (x,-y+1/2,z+1/2;mx,-my,mz) 2b (1/2,0,z;0,0,mz) (1/2,1/2,z+1/2;0,0,mz) 2a (0,0,z;0,0,mz) (0,1/2,z+1/2;0,0,mz) ---------- UNI: 30.116 Pnc2.1'_a[Pnc2] BNS: 30.116 P_anc2 OG: 30.6.210 P_2anc2 OG-BNS transformation: (0,0,0;2a,b,c) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|0,1/2,1/2) (my|0,1/2,1/2) (1|1/2,0,0)' (2z|1/2,0,0)' (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2)' Wyckoff positions (BNS): 8c (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y+1/2,z+1/2;mx,-my,-mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y,z;-mx,-my,-mz) (-x+1/2,-y,z;mx,my,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) 4b (1/4,0,z;mx,my,0) (3/4,0,z;-mx,-my,0) (3/4,1/2,z+1/2;mx,-my,0) (1/4,1/2,z+1/2;-mx,my,0) 4a (0,0,z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) (1/2,0,z;0,0,-mz) (1/2,1/2,z+1/2;0,0,mz) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|0,1/2,1/2) (my|0,1/2,1/2) (1|1,0,0)' (2z|1,0,0)' (mx|1,1/2,1/2)' (my|1,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,1,0)+ (0,0,1)+ 8c (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y+1/2,z+1/2;mx,-my,-mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x+1,y,z;-mx,-my,-mz) (-x+1,-y,z;mx,my,-mz) (-x+1,y+1/2,z+1/2;-mx,my,mz) (x+1,-y+1/2,z+1/2;mx,-my,mz) 4b (1/2,0,z;mx,my,0) (-1/2,0,z;-mx,-my,0) (-1/2,1/2,z+1/2;mx,-my,0) (1/2,1/2,z+1/2;-mx,my,0) 4a (0,0,z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) (1,0,z;0,0,-mz) (1,1/2,z+1/2;0,0,mz) ---------- UNI: 30.117 Pnc2.1'_b[Pcc2] BNS: 30.117 P_bnc2 OG: 27.7.184 P_2bc'c2' OG-BNS transformation: (0,1/2,0;a,2b,c) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|0,1/2,1/2) (my|0,1/2,1/2) (1|0,1/2,0)' (2z|0,1/2,0)' (mx|0,0,1/2)' (my|0,0,1/2)' Wyckoff positions (BNS): 8e (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y+1/2,z+1/2;mx,-my,-mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x,y+1/2,z;-mx,-my,-mz) (-x,-y+1/2,z;mx,my,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) 4d (1/2,0,z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) (1/2,1/2,z;0,0,-mz) (1/2,0,z+1/2;0,0,mz) 4c (1/2,3/4,z;mx,my,0) (1/2,1/4,z;-mx,-my,0) (1/2,1/4,z+1/2;mx,-my,0) (1/2,3/4,z+1/2;-mx,my,0) 4b (0,0,z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) (0,1/2,z;0,0,-mz) (0,0,z+1/2;0,0,mz) 4a (0,3/4,z;mx,my,0) (0,1/4,z;-mx,-my,0) (0,1/4,z+1/2;mx,-my,0) (0,3/4,z+1/2;-mx,my,0) Operators (OG): (1|0,0,0) (2z|0,1,0) (mx|0,1,1/2) (my|0,0,1/2) (1|0,1,0)' (2z|0,0,0)' (mx|0,0,1/2)' (my|0,1,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,2,0)+ (0,0,1)+ 8e (x,y,z;mx,my,mz) (-x,-y+1,z;-mx,-my,mz) (-x,y+1,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y+1,z;-mx,-my,-mz) (-x,-y,z;mx,my,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y+1,z+1/2;mx,-my,mz) 4d (1/2,1/2,z;0,0,mz) (-1/2,3/2,z+1/2;0,0,-mz) (1/2,3/2,z;0,0,-mz) (-1/2,1/2,z+1/2;0,0,mz) 4c (1/2,0,z;mx,my,0) (-1/2,1,z;-mx,-my,0) (-1/2,1,z+1/2;mx,-my,0) (1/2,0,z+1/2;-mx,my,0) 4b (0,1/2,z;0,0,mz) (0,3/2,z+1/2;0,0,-mz) (0,3/2,z;0,0,-mz) (0,1/2,z+1/2;0,0,mz) 4a (0,0,z;mx,my,0) (0,1,z;-mx,-my,0) (0,1,z+1/2;mx,-my,0) (0,0,z+1/2;-mx,my,0) ---------- UNI: 30.118 Pnc2.1'_c[Pbm2] BNS: 30.118 P_cnc2 OG: 28.12.196 P_2cm'a'2 OG-BNS transformation: (0,0,0;b,-a,2c) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|0,1/2,1/2) (my|0,1/2,1/2) (1|0,0,1/2)' (2z|0,0,1/2)' (mx|0,1/2,0)' (my|0,1/2,0)' Wyckoff positions (BNS): 8d (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y+1/2,z+1/2;mx,-my,-mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x,y,z+1/2;-mx,-my,-mz) (-x,-y,z+1/2;mx,my,-mz) (-x,y+1/2,z;-mx,my,mz) (x,-y+1/2,z;mx,-my,mz) 4c (x,3/4,z;mx,0,mz) (-x,1/4,z;-mx,0,mz) (-x,1/4,z+1/2;mx,0,-mz) (x,3/4,z+1/2;-mx,0,-mz) 4b (1/2,0,z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) (1/2,0,z+1/2;0,0,-mz) (1/2,1/2,z;0,0,mz) 4a (0,0,z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) (0,0,z+1/2;0,0,-mz) (0,1/2,z;0,0,mz) Operators (OG): (1|0,0,0) (2z|0,0,0) (my|1/2,0,1) (mx|1/2,0,1) (1|0,0,1)' (2z|0,0,1)' (my|1/2,0,0)' (mx|1/2,0,0)' Wyckoff positions (OG): (0,0,0)+ (0,1,0)+ (-1,0,0)+ (0,0,2)+ 8d (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (x+1/2,-y,z+1;-mx,my,-mz) (-x+1/2,y,z+1;mx,-my,-mz) (x,y,z+1;-mx,-my,-mz) (-x,-y,z+1;mx,my,-mz) (x+1/2,-y,z;mx,-my,mz) (-x+1/2,y,z;-mx,my,mz) 4c (1/4,y,z;0,my,mz) (-1/4,-y,z;0,-my,mz) (3/4,-y,z+1;0,my,-mz) (1/4,y,z+1;0,-my,-mz) 4b (0,1/2,z;0,0,mz) (1/2,-1/2,z+1;0,0,-mz) (0,1/2,z+1;0,0,-mz) (1/2,-1/2,z;0,0,mz) 4a (0,0,z;0,0,mz) (1/2,0,z+1;0,0,-mz) (0,0,z+1;0,0,-mz) (1/2,0,z;0,0,mz) ---------- UNI: 30.119 Pnc2.1'_A[Amm2] BNS: 30.119 P_Anc2 OG: 38.12.276 A_Pm'm'2 OG-BNS transformation: (0,0,0;a,b,c) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|0,1/2,1/2) (my|0,1/2,1/2) (1|0,1/2,1/2)' (2z|0,1/2,1/2)' (mx|0,0,0)' (my|0,0,0)' Wyckoff positions (BNS): 8f (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y+1/2,z+1/2;mx,-my,-mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (-x,-y+1/2,z+1/2;mx,my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) 4e (1/2,y,z;0,my,mz) (1/2,-y,z;0,-my,mz) (1/2,y+1/2,z+1/2;0,-my,-mz) (1/2,-y+1/2,z+1/2;0,my,-mz) 4d (0,y,z;0,my,mz) (0,-y,z;0,-my,mz) (0,y+1/2,z+1/2;0,-my,-mz) (0,-y+1/2,z+1/2;0,my,-mz) 4c (x,0,z;mx,0,mz) (-x,0,z;-mx,0,mz) (-x,1/2,z+1/2;mx,0,-mz) (x,1/2,z+1/2;-mx,0,-mz) 2b (1/2,0,z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) 2a (0,0,z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|0,1/2,1/2) (my|0,1/2,1/2) (1|0,1/2,1/2)' (2z|0,1/2,1/2)' (mx|0,0,0)' (my|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8f (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y+1/2,z+1/2;mx,-my,-mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (-x,-y+1/2,z+1/2;mx,my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) 4e (1/2,y,z;0,my,mz) (-1/2,-y,z;0,-my,mz) (-1/2,y+1/2,z+1/2;0,-my,-mz) (1/2,-y+1/2,z+1/2;0,my,-mz) 4d (0,y,z;0,my,mz) (0,-y,z;0,-my,mz) (0,y+1/2,z+1/2;0,-my,-mz) (0,-y+1/2,z+1/2;0,my,-mz) 4c (x,0,z;mx,0,mz) (-x,0,z;-mx,0,mz) (-x,1/2,z+1/2;mx,0,-mz) (x,1/2,z+1/2;-mx,0,-mz) 2b (1/2,0,z;0,0,mz) (-1/2,1/2,z+1/2;0,0,-mz) 2a (0,0,z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) ---------- UNI: 30.120 Pnc2.1'_B[Bba2] BNS: 30.120 P_Bnc2 OG: 41.9.308 A_Pb'a'2 OG-BNS transformation: (0,0,0;b,-a,c) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|0,1/2,1/2) (my|0,1/2,1/2) (1|1/2,0,1/2)' (2z|1/2,0,1/2)' (mx|1/2,1/2,0)' (my|1/2,1/2,0)' Wyckoff positions (BNS): 8b (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y+1/2,z+1/2;mx,-my,-mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y,z+1/2;-mx,-my,-mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z;mx,-my,mz) 4a (0,0,z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) (1/2,0,z+1/2;0,0,-mz) (1/2,1/2,z;0,0,mz) Operators (OG): (1|0,0,0) (2z|0,0,0) (my|1/2,0,1/2) (mx|1/2,0,1/2) (1|0,1/2,1/2)' (2z|0,1/2,1/2)' (my|1/2,1/2,1)' (mx|1/2,1/2,1)' Wyckoff positions (OG): (0,0,0)+ (0,1,0)+ (-1,0,0)+ (0,0,1)+ 8b (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (-x,-y+1/2,z+1/2;mx,my,-mz) (x+1/2,-y+1/2,z+1;mx,-my,mz) (-x+1/2,y+1/2,z+1;-mx,my,mz) 4a (0,0,z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) (1/2,1/2,z+1;0,0,mz) ---------- UNI: 30.121 Pnc2.1'_C[Ccc2] BNS: 30.121 P_Cnc2 OG: 37.6.263 C_Pc'c2' OG-BNS transformation: (1/4,1/4,0;a,b,c) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|0,1/2,1/2) (my|0,1/2,1/2) (1|1/2,1/2,0)' (2z|1/2,1/2,0)' (mx|1/2,0,1/2)' (my|1/2,0,1/2)' Wyckoff positions (BNS): 8d (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y+1/2,z+1/2;mx,-my,-mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) 4c (0,0,z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) (1/2,1/2,z;0,0,-mz) (1/2,0,z+1/2;0,0,mz) 4b (3/4,1/4,z;mx,my,0) (1/4,3/4,z;-mx,-my,0) (1/4,3/4,z+1/2;mx,-my,0) (3/4,1/4,z+1/2;-mx,my,0) 4a (3/4,3/4,z;mx,my,0) (1/4,1/4,z;-mx,-my,0) (1/4,1/4,z+1/2;mx,-my,0) (3/4,3/4,z+1/2;-mx,my,0) Operators (OG): (1|0,0,0) (2z|1/2,1/2,0) (mx|1/2,1/2,1/2) (my|0,0,1/2) (1|1/2,1/2,0)' (2z|0,0,0)' (mx|0,0,1/2)' (my|1/2,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8d (x,y,z;mx,my,mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x,-y,z;mx,my,-mz) (-x,y,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) 4c (1/4,1/4,z;0,0,mz) (1/4,3/4,z+1/2;0,0,-mz) (3/4,3/4,z;0,0,-mz) (-1/4,1/4,z+1/2;0,0,mz) 4b (0,1/2,z;mx,my,0) (1/2,0,z;-mx,-my,0) (1/2,1,z+1/2;mx,-my,0) (0,-1/2,z+1/2;-mx,my,0) 4a (0,0,z;mx,my,0) (1/2,1/2,z;-mx,-my,0) (1/2,1/2,z+1/2;mx,-my,0) (0,0,z+1/2;-mx,my,0) ---------- UNI: 30.122 Pnc2.1'_I[Ima2] BNS: 30.122 P_Inc2 OG: 46.9.346 I_Pm'a'2 OG-BNS transformation: (0,0,0;a,b,c) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|0,1/2,1/2) (my|0,1/2,1/2) (1|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (mx|1/2,0,0)' (my|1/2,0,0)' Wyckoff positions (BNS): 8c (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y+1/2,z+1/2;mx,-my,-mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,y,z;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) 4b (1/4,y,z;0,my,mz) (3/4,-y,z;0,-my,mz) (3/4,y+1/2,z+1/2;0,-my,-mz) (1/4,-y+1/2,z+1/2;0,my,-mz) 4a (0,0,z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) (1/2,0,z;0,0,mz) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|1,1/2,1/2) (my|1,1/2,1/2) (1|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (mx|1/2,0,0)' (my|1/2,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8c (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1,y+1/2,z+1/2;mx,-my,-mz) (x+1,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,y,z;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) 4b (1/4,y,z;0,my,mz) (-1/4,-y,z;0,-my,mz) (3/4,y+1/2,z+1/2;0,-my,-mz) (5/4,-y+1/2,z+1/2;0,my,-mz) 4a (0,0,z;0,0,mz) (1,1/2,z+1/2;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) (1/2,0,z;0,0,mz) ---------- UNI: 31.123 Pmn2_1.1 BNS: 31.123 Pmn2_1 OG: 31.1.212 Pmn2_1 Operators: (1|0,0,0) (2z|1/2,0,1/2) (mx|0,0,0) (my|1/2,0,1/2) Wyckoff positions: 4b (x,y,z;mx,my,mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) 2a (0,y,z;mx,0,0) (1/2,-y,z+1/2;-mx,0,0) ---------- UNI: 31.124 Pmn2_1.1' BNS: 31.124 Pmn2_11' OG: 31.2.213 Pmn2_11' Operators: (1|0,0,0) (2z|1/2,0,1/2) (mx|0,0,0) (my|1/2,0,1/2) (1|0,0,0)' (2z|1/2,0,1/2)' (mx|0,0,0)' (my|1/2,0,1/2)' Wyckoff positions: 4b (x,y,z;0,0,0) (-x+1/2,-y,z+1/2;0,0,0) (-x,y,z;0,0,0) (x+1/2,-y,z+1/2;0,0,0) 2a (0,y,z;0,0,0) (1/2,-y,z+1/2;0,0,0) ---------- UNI: 31.125 Pm'n2_1' BNS: 31.125 Pm'n2_1' OG: 31.3.214 Pm'n2_1' Operators: (1|0,0,0) (2z|1/2,0,1/2)' (mx|0,0,0)' (my|1/2,0,1/2) Wyckoff positions: 4b (x,y,z;mx,my,mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x,y,z;-mx,my,mz) (x+1/2,-y,z+1/2;-mx,my,-mz) 2a (0,y,z;0,my,mz) (1/2,-y,z+1/2;0,my,-mz) ---------- UNI: 31.126 Pmn'2_1' BNS: 31.126 Pmn'2_1' OG: 31.4.215 Pmn'2_1' Operators: (1|0,0,0) (2z|1/2,0,1/2)' (mx|0,0,0) (my|1/2,0,1/2)' Wyckoff positions: 4b (x,y,z;mx,my,mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x,y,z;mx,-my,-mz) (x+1/2,-y,z+1/2;mx,-my,mz) 2a (0,y,z;mx,0,0) (1/2,-y,z+1/2;mx,0,0) ---------- UNI: 31.127 Pm'n'2_1 BNS: 31.127 Pm'n'2_1 OG: 31.5.216 Pm'n'2_1 Operators: (1|0,0,0) (2z|1/2,0,1/2) (mx|0,0,0)' (my|1/2,0,1/2)' Wyckoff positions: 4b (x,y,z;mx,my,mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,y,z;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) 2a (0,y,z;0,my,mz) (1/2,-y,z+1/2;0,-my,mz) ---------- UNI: 31.128 Pmn2_1.1'_a[Pmc2_1] BNS: 31.128 P_amn2_1 OG: 26.9.176 P_2amc'2_1' OG-BNS transformation: (0,0,0;2a,b,c) Operators (BNS): (1|0,0,0) (2z|1/2,0,1/2) (mx|0,0,0) (my|1/2,0,1/2) (1|1/2,0,0)' (2z|0,0,1/2)' (mx|1/2,0,0)' (my|0,0,1/2)' Wyckoff positions (BNS): 8c (x,y,z;mx,my,mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y,z;-mx,-my,-mz) (-x,-y,z+1/2;mx,my,-mz) (-x+1/2,y,z;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) 4b (1/4,y,z;0,my,mz) (1/4,-y,z+1/2;0,-my,mz) (3/4,y,z;0,-my,-mz) (3/4,-y,z+1/2;0,my,-mz) 4a (0,y,z;mx,0,0) (1/2,-y,z+1/2;-mx,0,0) (1/2,y,z;-mx,0,0) (0,-y,z+1/2;mx,0,0) Operators (OG): (1|0,0,0) (2z|1,0,1/2) (mx|0,0,0) (my|1,0,1/2) (1|1,0,0)' (2z|0,0,1/2)' (mx|1,0,0)' (my|0,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,1,0)+ (0,0,1)+ 8c (x,y,z;mx,my,mz) (-x+1,-y,z+1/2;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x+1,-y,z+1/2;-mx,my,-mz) (x+1,y,z;-mx,-my,-mz) (-x,-y,z+1/2;mx,my,-mz) (-x+1,y,z;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) 4b (1/2,y,z;0,my,mz) (1/2,-y,z+1/2;0,-my,mz) (-1/2,y,z;0,-my,-mz) (3/2,-y,z+1/2;0,my,-mz) 4a (0,y,z;mx,0,0) (1,-y,z+1/2;-mx,0,0) (1,y,z;-mx,0,0) (0,-y,z+1/2;mx,0,0) ---------- UNI: 31.129 Pmn2_1.1'_b[Pmn2_1] BNS: 31.129 P_bmn2_1 OG: 31.6.217 P_2bmn2_1 OG-BNS transformation: (0,0,0;a,2b,c) Operators (BNS): (1|0,0,0) (2z|1/2,0,1/2) (mx|0,0,0) (my|1/2,0,1/2) (1|0,1/2,0)' (2z|1/2,1/2,1/2)' (mx|0,1/2,0)' (my|1/2,1/2,1/2)' Wyckoff positions (BNS): 8b (x,y,z;mx,my,mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x,y+1/2,z;-mx,-my,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) 4a (0,y,z;mx,0,0) (1/2,-y,z+1/2;-mx,0,0) (0,y+1/2,z;-mx,0,0) (1/2,-y+1/2,z+1/2;mx,0,0) Operators (OG): (1|0,0,0) (2z|1/2,0,1/2) (mx|0,0,0) (my|1/2,0,1/2) (1|0,1,0)' (2z|1/2,1,1/2)' (mx|0,1,0)' (my|1/2,1,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,2,0)+ (0,0,1)+ 8b (x,y,z;mx,my,mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x,y+1,z;-mx,-my,-mz) (-x+1/2,-y+1,z+1/2;mx,my,-mz) (-x,y+1,z;-mx,my,mz) (x+1/2,-y+1,z+1/2;mx,-my,mz) 4a (0,y,z;mx,0,0) (1/2,-y,z+1/2;-mx,0,0) (0,y+1,z;-mx,0,0) (1/2,-y+1,z+1/2;mx,0,0) ---------- UNI: 31.130 Pmn2_1.1'_c[Pma2] BNS: 31.130 P_cmn2_1 OG: 28.11.195 P_2cma'2' OG-BNS transformation: (1/4,0,0;a,b,2c) Operators (BNS): (1|0,0,0) (2z|1/2,0,1/2) (mx|0,0,0) (my|1/2,0,1/2) (1|0,0,1/2)' (2z|1/2,0,0)' (mx|0,0,1/2)' (my|1/2,0,0)' Wyckoff positions (BNS): 8d (x,y,z;mx,my,mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x,y,z+1/2;-mx,-my,-mz) (-x+1/2,-y,z;mx,my,-mz) (-x,y,z+1/2;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) 4c (0,y,z;mx,0,0) (1/2,-y,z+1/2;-mx,0,0) (0,y,z+1/2;-mx,0,0) (1/2,-y,z;mx,0,0) 4b (3/4,1/2,z;mx,my,0) (3/4,1/2,z+1/2;-mx,-my,0) (1/4,1/2,z;mx,-my,0) (1/4,1/2,z+1/2;-mx,my,0) 4a (3/4,0,z;mx,my,0) (3/4,0,z+1/2;-mx,-my,0) (1/4,0,z;mx,-my,0) (1/4,0,z+1/2;-mx,my,0) Operators (OG): (1|0,0,0) (2z|0,0,1) (mx|1/2,0,0) (my|1/2,0,1) (1|0,0,1)' (2z|0,0,0)' (mx|1/2,0,1)' (my|1/2,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 8d (x,y,z;mx,my,mz) (-x,-y,z+1;-mx,-my,mz) (-x+1/2,y,z;mx,-my,-mz) (x+1/2,-y,z+1;-mx,my,-mz) (x,y,z+1;-mx,-my,-mz) (-x,-y,z;mx,my,-mz) (-x+1/2,y,z+1;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) 4c (1/4,y,z;mx,0,0) (-1/4,-y,z+1;-mx,0,0) (1/4,y,z+1;-mx,0,0) (-1/4,-y,z;mx,0,0) 4b (0,1/2,z;mx,my,0) (0,-1/2,z+1;-mx,-my,0) (1/2,1/2,z;mx,-my,0) (1/2,-1/2,z+1;-mx,my,0) 4a (0,0,z;mx,my,0) (0,0,z+1;-mx,-my,0) (1/2,0,z;mx,-my,0) (1/2,0,z+1;-mx,my,0) ---------- UNI: 31.131 Pmn2_1.1'_A[Ama2] BNS: 31.131 P_Amn2_1 OG: 40.8.298 A_Pma'2' OG-BNS transformation: (1/4,1/4,0;a,b,c) Operators (BNS): (1|0,0,0) (2z|1/2,0,1/2) (mx|0,0,0) (my|1/2,0,1/2) (1|0,1/2,1/2)' (2z|1/2,1/2,0)' (mx|0,1/2,1/2)' (my|1/2,1/2,0)' Wyckoff positions (BNS): 8c (x,y,z;mx,my,mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z;mx,-my,mz) 4b (0,y,z;mx,0,0) (1/2,-y,z+1/2;-mx,0,0) (0,y+1/2,z+1/2;-mx,0,0) (1/2,-y+1/2,z;mx,0,0) 4a (3/4,3/4,z;mx,my,0) (3/4,1/4,z+1/2;-mx,-my,0) (1/4,3/4,z;mx,-my,0) (1/4,1/4,z+1/2;-mx,my,0) Operators (OG): (1|0,0,0) (2z|0,1/2,1/2) (mx|1/2,0,0) (my|1/2,1/2,1/2) (1|0,1/2,1/2)' (2z|0,0,0)' (mx|1/2,1/2,1/2)' (my|1/2,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8c (x,y,z;mx,my,mz) (-x,-y+1/2,z+1/2;-mx,-my,mz) (-x+1/2,y,z;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (-x,-y,z;mx,my,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) 4b (1/4,y,z;mx,0,0) (-1/4,-y+1/2,z+1/2;-mx,0,0) (1/4,y+1/2,z+1/2;-mx,0,0) (-1/4,-y,z;mx,0,0) 4a (0,0,z;mx,my,0) (0,1/2,z+1/2;-mx,-my,0) (1/2,0,z;mx,-my,0) (1/2,1/2,z+1/2;-mx,my,0) ---------- UNI: 31.132 Pmn2_1.1'_B[Bmm2] BNS: 31.132 P_Bmn2_1 OG: 38.10.274 A_Pm'm2' OG-BNS transformation: (0,0,0;b,-a,c) Operators (BNS): (1|0,0,0) (2z|1/2,0,1/2) (mx|0,0,0) (my|1/2,0,1/2) (1|1/2,0,1/2)' (2z|0,0,0)' (mx|1/2,0,1/2)' (my|0,0,0)' Wyckoff positions (BNS): 8f (x,y,z;mx,my,mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y,z+1/2;-mx,-my,-mz) (-x,-y,z;mx,my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x,-y,z;mx,-my,mz) 4e (x,1/2,z;mx,0,mz) (-x+1/2,1/2,z+1/2;-mx,0,mz) (-x,1/2,z;mx,0,-mz) (x+1/2,1/2,z+1/2;-mx,0,-mz) 4d (x,0,z;mx,0,mz) (-x+1/2,0,z+1/2;-mx,0,mz) (-x,0,z;mx,0,-mz) (x+1/2,0,z+1/2;-mx,0,-mz) 4c (0,y,z;mx,0,0) (1/2,-y,z+1/2;-mx,0,0) (1/2,y,z+1/2;-mx,0,0) (0,-y,z;mx,0,0) 2b (0,1/2,z;mx,0,0) (1/2,1/2,z+1/2;-mx,0,0) 2a (0,0,z;mx,0,0) (1/2,0,z+1/2;-mx,0,0) Operators (OG): (1|0,0,0) (2z|0,1/2,1/2) (my|0,0,0) (mx|0,1/2,1/2) (1|0,1/2,1/2)' (2z|0,0,0)' (my|0,1/2,1/2)' (mx|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (0,1,0)+ (-1,0,0)+ (0,0,1)+ 8f (x,y,z;mx,my,mz) (-x,-y+1/2,z+1/2;-mx,-my,mz) (x,-y,z;-mx,my,-mz) (-x,y+1/2,z+1/2;mx,-my,-mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (-x,-y,z;mx,my,-mz) (x,-y+1/2,z+1/2;mx,-my,mz) (-x,y,z;-mx,my,mz) 4e (1/2,y,z;0,my,mz) (-1/2,-y+1/2,z+1/2;0,-my,mz) (1/2,-y,z;0,my,-mz) (-1/2,y+1/2,z+1/2;0,-my,-mz) 4d (0,y,z;0,my,mz) (0,-y+1/2,z+1/2;0,-my,mz) (0,-y,z;0,my,-mz) (0,y+1/2,z+1/2;0,-my,-mz) 4c (x,0,z;0,my,0) (-x,1/2,z+1/2;0,-my,0) (x,1/2,z+1/2;0,-my,0) (-x,0,z;0,my,0) 2b (1/2,0,z;0,my,0) (-1/2,1/2,z+1/2;0,-my,0) 2a (0,0,z;0,my,0) (0,1/2,z+1/2;0,-my,0) ---------- UNI: 31.133 Pmn2_1.1'_C[Cmc2_1] BNS: 31.133 P_Cmn2_1 OG: 36.8.256 C_Pmc'2_1' OG-BNS transformation: (0,1/4,0;a,b,c) Operators (BNS): (1|0,0,0) (2z|1/2,0,1/2) (mx|0,0,0) (my|1/2,0,1/2) (1|1/2,1/2,0)' (2z|0,1/2,1/2)' (mx|1/2,1/2,0)' (my|0,1/2,1/2)' Wyckoff positions (BNS): 8b (x,y,z;mx,my,mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x,-y+1/2,z+1/2;mx,-my,mz) 4a (0,y,z;mx,0,0) (1/2,-y,z+1/2;-mx,0,0) (1/2,y+1/2,z;-mx,0,0) (0,-y+1/2,z+1/2;mx,0,0) Operators (OG): (1|0,0,0) (2z|1/2,1/2,1/2) (mx|0,0,0) (my|1/2,1/2,1/2) (1|1/2,1/2,0)' (2z|0,0,1/2)' (mx|1/2,1/2,0)' (my|0,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8b (x,y,z;mx,my,mz) (-x+1/2,-y+1/2,z+1/2;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x,-y,z+1/2;mx,my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) 4a (0,y,z;mx,0,0) (1/2,-y+1/2,z+1/2;-mx,0,0) (1/2,y+1/2,z;-mx,0,0) (0,-y,z+1/2;mx,0,0) ---------- UNI: 31.134 Pmn2_1.1'_I[Imm2] BNS: 31.134 P_Imn2_1 OG: 44.6.329 I_Pmm'2' OG-BNS transformation: (0,1/4,0;a,b,c) Operators (BNS): (1|0,0,0) (2z|1/2,0,1/2) (mx|0,0,0) (my|1/2,0,1/2) (1|1/2,1/2,1/2)' (2z|0,1/2,0)' (mx|1/2,1/2,1/2)' (my|0,1/2,0)' Wyckoff positions (BNS): 8e (x,y,z;mx,my,mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-x,-y+1/2,z;mx,my,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x,-y+1/2,z;mx,-my,mz) 4d (0,y,z;mx,0,0) (1/2,-y,z+1/2;-mx,0,0) (1/2,y+1/2,z+1/2;-mx,0,0) (0,-y+1/2,z;mx,0,0) 4c (x,3/4,z;mx,0,mz) (-x+1/2,1/4,z+1/2;-mx,0,mz) (-x,3/4,z;mx,0,-mz) (x+1/2,1/4,z+1/2;-mx,0,-mz) 2b (0,1/4,z;mx,0,0) (1/2,3/4,z+1/2;-mx,0,0) 2a (0,3/4,z;mx,0,0) (1/2,1/4,z+1/2;-mx,0,0) Operators (OG): (1|0,0,0) (2z|1/2,1/2,1/2) (mx|0,0,0) (my|1/2,1/2,1/2) (1|1/2,1/2,1/2)' (2z|0,0,0)' (mx|1/2,1/2,1/2)' (my|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8e (x,y,z;mx,my,mz) (-x+1/2,-y+1/2,z+1/2;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-x,-y,z;mx,my,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x,-y,z;mx,-my,mz) 4d (0,y,z;mx,0,0) (1/2,-y+1/2,z+1/2;-mx,0,0) (1/2,y+1/2,z+1/2;-mx,0,0) (0,-y,z;mx,0,0) 4c (x,0,z;mx,0,mz) (-x+1/2,1/2,z+1/2;-mx,0,mz) (-x,0,z;mx,0,-mz) (x+1/2,1/2,z+1/2;-mx,0,-mz) 2b (0,1/2,z;mx,0,0) (1/2,0,z+1/2;-mx,0,0) 2a (0,0,z;mx,0,0) (1/2,1/2,z+1/2;-mx,0,0) ---------- UNI: 32.135 Pba2.1 BNS: 32.135 Pba2 OG: 32.1.219 Pba2 Operators: (1|0,0,0) (2z|0,0,0) (mx|1/2,1/2,0) (my|1/2,1/2,0) Wyckoff positions: 4c (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x+1/2,-y+1/2,z;-mx,my,-mz) 2b (0,1/2,z;0,0,mz) (1/2,0,z;0,0,-mz) 2a (0,0,z;0,0,mz) (1/2,1/2,z;0,0,-mz) ---------- UNI: 32.136 Pba2.1' BNS: 32.136 Pba21' OG: 32.2.220 Pba21' Operators: (1|0,0,0) (2z|0,0,0) (mx|1/2,1/2,0) (my|1/2,1/2,0) (1|0,0,0)' (2z|0,0,0)' (mx|1/2,1/2,0)' (my|1/2,1/2,0)' Wyckoff positions: 4c (x,y,z;0,0,0) (-x,-y,z;0,0,0) (-x+1/2,y+1/2,z;0,0,0) (x+1/2,-y+1/2,z;0,0,0) 2b (0,1/2,z;0,0,0) (1/2,0,z;0,0,0) 2a (0,0,z;0,0,0) (1/2,1/2,z;0,0,0) ---------- UNI: 32.137 Pb'a2' BNS: 32.137 Pb'a2' OG: 32.3.221 Pb'a2' Operators: (1|0,0,0) (2z|0,0,0)' (mx|1/2,1/2,0)' (my|1/2,1/2,0) Wyckoff positions: 4c (x,y,z;mx,my,mz) (-x,-y,z;mx,my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z;-mx,my,-mz) 2b (0,1/2,z;mx,my,0) (1/2,0,z;-mx,my,0) 2a (0,0,z;mx,my,0) (1/2,1/2,z;-mx,my,0) ---------- UNI: 32.138 Pb'a'2 BNS: 32.138 Pb'a'2 OG: 32.4.222 Pb'a'2 Operators: (1|0,0,0) (2z|0,0,0) (mx|1/2,1/2,0)' (my|1/2,1/2,0)' Wyckoff positions: 4c (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z;mx,-my,mz) 2b (0,1/2,z;0,0,mz) (1/2,0,z;0,0,mz) 2a (0,0,z;0,0,mz) (1/2,1/2,z;0,0,mz) ---------- UNI: 32.139 Pba2.1'_c[Pba2] BNS: 32.139 P_cba2 OG: 32.5.223 P_2cba2 OG-BNS transformation: (0,0,0;a,b,2c) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|1/2,1/2,0) (my|1/2,1/2,0) (1|0,0,1/2)' (2z|0,0,1/2)' (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2)' Wyckoff positions (BNS): 8c (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (x,y,z+1/2;-mx,-my,-mz) (-x,-y,z+1/2;mx,my,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) 4b (0,1/2,z;0,0,mz) (1/2,0,z;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) (1/2,0,z+1/2;0,0,mz) 4a (0,0,z;0,0,mz) (1/2,1/2,z;0,0,-mz) (0,0,z+1/2;0,0,-mz) (1/2,1/2,z+1/2;0,0,mz) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|1/2,1/2,0) (my|1/2,1/2,0) (1|0,0,1)' (2z|0,0,1)' (mx|1/2,1/2,1)' (my|1/2,1/2,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 8c (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (x,y,z+1;-mx,-my,-mz) (-x,-y,z+1;mx,my,-mz) (-x+1/2,y+1/2,z+1;-mx,my,mz) (x+1/2,-y+1/2,z+1;mx,-my,mz) 4b (0,1/2,z;0,0,mz) (1/2,1,z;0,0,-mz) (0,1/2,z+1;0,0,-mz) (1/2,1,z+1;0,0,mz) 4a (0,0,z;0,0,mz) (1/2,1/2,z;0,0,-mz) (0,0,z+1;0,0,-mz) (1/2,1/2,z+1;0,0,mz) ---------- UNI: 32.140 Pba2.1'_b[Pma2] BNS: 32.140 P_bba2 OG: 28.9.193 P_2bm'a2' OG-BNS transformation: (0,1/2,0;a,2b,c) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|1/2,1/2,0) (my|1/2,1/2,0) (1|0,1/2,0)' (2z|0,1/2,0)' (mx|1/2,0,0)' (my|1/2,0,0)' Wyckoff positions (BNS): 8d (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (x,y+1/2,z;-mx,-my,-mz) (-x,-y+1/2,z;mx,my,-mz) (-x+1/2,y,z;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) 4c (1/4,y,z;0,my,mz) (3/4,-y,z;0,-my,mz) (1/4,y+1/2,z;0,-my,-mz) (3/4,-y+1/2,z;0,my,-mz) 4b (0,0,z;0,0,mz) (1/2,1/2,z;0,0,-mz) (0,1/2,z;0,0,-mz) (1/2,0,z;0,0,mz) 4a (0,3/4,z;mx,my,0) (0,1/4,z;-mx,-my,0) (1/2,1/4,z;mx,-my,0) (1/2,3/4,z;-mx,my,0) Operators (OG): (1|0,0,0) (2z|0,1,0) (mx|1/2,1,0) (my|1/2,0,0) (1|0,1,0)' (2z|0,0,0)' (mx|1/2,0,0)' (my|1/2,1,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,2,0)+ (0,0,1)+ 8d (x,y,z;mx,my,mz) (-x,-y+1,z;-mx,-my,mz) (-x+1/2,y+1,z;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x,y+1,z;-mx,-my,-mz) (-x,-y,z;mx,my,-mz) (-x+1/2,y,z;-mx,my,mz) (x+1/2,-y+1,z;mx,-my,mz) 4c (1/4,y,z;0,my,mz) (-1/4,-y+1,z;0,-my,mz) (1/4,y+1,z;0,-my,-mz) (3/4,-y,z;0,my,-mz) 4b (0,1/2,z;0,0,mz) (1/2,3/2,z;0,0,-mz) (0,3/2,z;0,0,-mz) (1/2,1/2,z;0,0,mz) 4a (0,0,z;mx,my,0) (0,1,z;-mx,-my,0) (1/2,1,z;mx,-my,0) (1/2,0,z;-mx,my,0) ---------- UNI: 32.141 Pba2.1'_C[Cmm2] BNS: 32.141 P_Cba2 OG: 35.11.246 C_Pm'm'2 OG-BNS transformation: (0,0,0;a,b,c) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|1/2,1/2,0) (my|1/2,1/2,0) (1|1/2,1/2,0)' (2z|1/2,1/2,0)' (mx|0,0,0)' (my|0,0,0)' Wyckoff positions (BNS): 8f (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) 4e (0,y,z;0,my,mz) (0,-y,z;0,-my,mz) (1/2,y+1/2,z;0,-my,-mz) (1/2,-y+1/2,z;0,my,-mz) 4d (x,0,z;mx,0,mz) (-x,0,z;-mx,0,mz) (-x+1/2,1/2,z;mx,0,-mz) (x+1/2,1/2,z;-mx,0,-mz) 4c (1/4,1/4,z;mx,my,0) (3/4,3/4,z;-mx,-my,0) (1/4,3/4,z;mx,-my,0) (3/4,1/4,z;-mx,my,0) 2b (0,1/2,z;0,0,mz) (1/2,0,z;0,0,-mz) 2a (0,0,z;0,0,mz) (1/2,1/2,z;0,0,-mz) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|1/2,1/2,0) (my|1/2,1/2,0) (1|1/2,1/2,0)' (2z|1/2,1/2,0)' (mx|0,0,0)' (my|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8f (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) 4e (0,y,z;0,my,mz) (0,-y,z;0,-my,mz) (1/2,y+1/2,z;0,-my,-mz) (1/2,-y+1/2,z;0,my,-mz) 4d (x,0,z;mx,0,mz) (-x,0,z;-mx,0,mz) (-x+1/2,1/2,z;mx,0,-mz) (x+1/2,1/2,z;-mx,0,-mz) 4c (1/4,1/4,z;mx,my,0) (-1/4,-1/4,z;-mx,-my,0) (1/4,3/4,z;mx,-my,0) (3/4,1/4,z;-mx,my,0) 2b (0,1/2,z;0,0,mz) (1/2,1,z;0,0,-mz) 2a (0,0,z;0,0,mz) (1/2,1/2,z;0,0,-mz) ---------- UNI: 32.142 Pba2.1'_A[Aba2] BNS: 32.142 P_Aba2 OG: 41.6.305 A_Pba2 OG-BNS transformation: (0,0,0;a,b,c) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|1/2,1/2,0) (my|1/2,1/2,0) (1|0,1/2,1/2)' (2z|0,1/2,1/2)' (mx|1/2,0,1/2)' (my|1/2,0,1/2)' Wyckoff positions (BNS): 8b (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (-x,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) 4a (0,0,z;0,0,mz) (1/2,1/2,z;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) (1/2,0,z+1/2;0,0,mz) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|1/2,1/2,1) (my|1/2,1/2,1) (1|0,1/2,1/2)' (2z|0,1/2,1/2)' (mx|1/2,0,1/2)' (my|1/2,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8b (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y+1/2,z+1;mx,-my,-mz) (x+1/2,-y+1/2,z+1;-mx,my,-mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (-x,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) 4a (0,0,z;0,0,mz) (1/2,1/2,z+1;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) (1/2,0,z+1/2;0,0,mz) ---------- UNI: 32.143 Pba2.1'_I[Iba2] BNS: 32.143 P_Iba2 OG: 45.7.337 I_Pb'a'2 OG-BNS transformation: (0,0,0;a,b,c) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|1/2,1/2,0) (my|1/2,1/2,0) (1|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (mx|0,0,1/2)' (my|0,0,1/2)' Wyckoff positions (BNS): 8c (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) 4b (0,1/2,z;0,0,mz) (1/2,0,z;0,0,-mz) (1/2,0,z+1/2;0,0,-mz) (0,1/2,z+1/2;0,0,mz) 4a (0,0,z;0,0,mz) (1/2,1/2,z;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) (0,0,z+1/2;0,0,mz) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|1/2,1/2,1) (my|1/2,1/2,1) (1|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (mx|0,0,1/2)' (my|0,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8c (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y+1/2,z+1;mx,-my,-mz) (x+1/2,-y+1/2,z+1;-mx,my,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) 4b (0,1/2,z;0,0,mz) (1/2,1,z+1;0,0,-mz) (1/2,1,z+1/2;0,0,-mz) (0,1/2,z+1/2;0,0,mz) 4a (0,0,z;0,0,mz) (1/2,1/2,z+1;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) (0,0,z+1/2;0,0,mz) ---------- UNI: 33.144 Pna2_1.1 BNS: 33.144 Pna2_1 OG: 33.1.226 Pna2_1 Operators: (1|0,0,0) (2z|0,0,1/2) (mx|1/2,1/2,1/2) (my|1/2,1/2,0) Wyckoff positions: 4a (x,y,z;mx,my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z;-mx,my,-mz) ---------- UNI: 33.145 Pna2_1.1' BNS: 33.145 Pna2_11' OG: 33.2.227 Pna2_11' Operators: (1|0,0,0) (2z|0,0,1/2) (mx|1/2,1/2,1/2) (my|1/2,1/2,0) (1|0,0,0)' (2z|0,0,1/2)' (mx|1/2,1/2,1/2)' (my|1/2,1/2,0)' Wyckoff positions: 4a (x,y,z;0,0,0) (-x,-y,z+1/2;0,0,0) (-x+1/2,y+1/2,z+1/2;0,0,0) (x+1/2,-y+1/2,z;0,0,0) ---------- UNI: 33.146 Pn'a2_1' BNS: 33.146 Pn'a2_1' OG: 33.3.228 Pn'a2_1' Operators: (1|0,0,0) (2z|0,0,1/2)' (mx|1/2,1/2,1/2)' (my|1/2,1/2,0) Wyckoff positions: 4a (x,y,z;mx,my,mz) (-x,-y,z+1/2;mx,my,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z;-mx,my,-mz) ---------- UNI: 33.147 Pna'2_1' BNS: 33.147 Pna'2_1' OG: 33.4.229 Pna'2_1' Operators: (1|0,0,0) (2z|0,0,1/2)' (mx|1/2,1/2,1/2) (my|1/2,1/2,0)' Wyckoff positions: 4a (x,y,z;mx,my,mz) (-x,-y,z+1/2;mx,my,-mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z;mx,-my,mz) ---------- UNI: 33.148 Pn'a'2_1 BNS: 33.148 Pn'a'2_1 OG: 33.5.230 Pn'a'2_1 Operators: (1|0,0,0) (2z|0,0,1/2) (mx|1/2,1/2,1/2)' (my|1/2,1/2,0)' Wyckoff positions: 4a (x,y,z;mx,my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z;mx,-my,mz) ---------- UNI: 33.149 Pna2_1.1'_a[Pnm2_1] BNS: 33.149 P_ana2_1 OG: 31.7.218 P_2bm'n2_1' OG-BNS transformation: (1/4,1/2,0;2b,-a,c) Operators (BNS): (1|0,0,0) (2z|0,0,1/2) (mx|1/2,1/2,1/2) (my|1/2,1/2,0) (1|1/2,0,0)' (2z|1/2,0,1/2)' (mx|0,1/2,1/2)' (my|0,1/2,0)' Wyckoff positions (BNS): 8b (x,y,z;mx,my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (x+1/2,y,z;-mx,-my,-mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x,y+1/2,z+1/2;-mx,my,mz) (x,-y+1/2,z;mx,-my,mz) 4a (x,1/4,z;mx,0,mz) (-x,3/4,z+1/2;-mx,0,mz) (-x+1/2,3/4,z+1/2;mx,0,-mz) (x+1/2,1/4,z;-mx,0,-mz) Operators (OG): (1|0,0,0) (2z|1/2,1,1/2) (my|1/2,0,1/2) (mx|0,1,0) (1|0,1,0)' (2z|1/2,0,1/2)' (my|1/2,1,1/2)' (mx|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (0,2,0)+ (-1,0,0)+ (0,0,1)+ 8b (x,y,z;mx,my,mz) (-x+1/2,-y+1,z+1/2;-mx,-my,mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (-x,y+1,z;mx,-my,-mz) (x,y+1,z;-mx,-my,-mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (x+1/2,-y+1,z+1/2;mx,-my,mz) (-x,y,z;-mx,my,mz) 4a (0,y,z;0,my,mz) (1/2,-y+1,z+1/2;0,-my,mz) (1/2,-y,z+1/2;0,my,-mz) (0,y+1,z;0,-my,-mz) ---------- UNI: 33.150 Pna2_1.1'_b[Pca2_1] BNS: 33.150 P_bna2_1 OG: 29.7.204 P_2bc'a'2_1 OG-BNS transformation: (0,0,0;a,2b,c) Operators (BNS): (1|0,0,0) (2z|0,0,1/2) (mx|1/2,1/2,1/2) (my|1/2,1/2,0) (1|0,1/2,0)' (2z|0,1/2,1/2)' (mx|1/2,0,1/2)' (my|1/2,0,0)' Wyckoff positions (BNS): 8a (x,y,z;mx,my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (x,y+1/2,z;-mx,-my,-mz) (-x,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) Operators (OG): (1|0,0,0) (2z|0,0,1/2) (mx|1/2,1,1/2) (my|1/2,1,0) (1|0,1,0)' (2z|0,1,1/2)' (mx|1/2,0,1/2)' (my|1/2,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,2,0)+ (0,0,1)+ 8a (x,y,z;mx,my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x+1/2,y+1,z+1/2;mx,-my,-mz) (x+1/2,-y+1,z;-mx,my,-mz) (x,y+1,z;-mx,-my,-mz) (-x,-y+1,z+1/2;mx,my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) ---------- UNI: 33.151 Pna2_1.1'_c[Pba2] BNS: 33.151 P_cna2_1 OG: 32.6.224 P_2cb'a2' OG-BNS transformation: (0,0,0;a,b,2c) Operators (BNS): (1|0,0,0) (2z|0,0,1/2) (mx|1/2,1/2,1/2) (my|1/2,1/2,0) (1|0,0,1/2)' (2z|0,0,0)' (mx|1/2,1/2,0)' (my|1/2,1/2,1/2)' Wyckoff positions (BNS): 8c (x,y,z;mx,my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (x,y,z+1/2;-mx,-my,-mz) (-x,-y,z;mx,my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) 4b (0,1/2,z;mx,my,0) (0,1/2,z+1/2;-mx,-my,0) (1/2,0,z+1/2;mx,-my,0) (1/2,0,z;-mx,my,0) 4a (0,0,z;mx,my,0) (0,0,z+1/2;-mx,-my,0) (1/2,1/2,z+1/2;mx,-my,0) (1/2,1/2,z;-mx,my,0) Operators (OG): (1|0,0,0) (2z|0,0,1) (mx|1/2,1/2,1) (my|1/2,1/2,0) (1|0,0,1)' (2z|0,0,0)' (mx|1/2,1/2,0)' (my|1/2,1/2,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 8c (x,y,z;mx,my,mz) (-x,-y,z+1;-mx,-my,mz) (-x+1/2,y+1/2,z+1;mx,-my,-mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (x,y,z+1;-mx,-my,-mz) (-x,-y,z;mx,my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z+1;mx,-my,mz) 4b (0,1/2,z;mx,my,0) (0,-1/2,z+1;-mx,-my,0) (1/2,1,z+1;mx,-my,0) (1/2,0,z;-mx,my,0) 4a (0,0,z;mx,my,0) (0,0,z+1;-mx,-my,0) (1/2,1/2,z+1;mx,-my,0) (1/2,1/2,z;-mx,my,0) ---------- UNI: 33.152 Pna2_1.1'_A[Ama2] BNS: 33.152 P_Ana2_1 OG: 40.7.297 A_Pm'a2' OG-BNS transformation: (0,1/4,0;a,b,c) Operators (BNS): (1|0,0,0) (2z|0,0,1/2) (mx|1/2,1/2,1/2) (my|1/2,1/2,0) (1|0,1/2,1/2)' (2z|0,1/2,0)' (mx|1/2,0,0)' (my|1/2,0,1/2)' Wyckoff positions (BNS): 8c (x,y,z;mx,my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (-x,-y+1/2,z;mx,my,-mz) (-x+1/2,y,z;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) 4b (1/4,y,z;0,my,mz) (3/4,-y,z+1/2;0,-my,mz) (1/4,y+1/2,z+1/2;0,-my,-mz) (3/4,-y+1/2,z;0,my,-mz) 4a (0,3/4,z;mx,my,0) (0,1/4,z+1/2;-mx,-my,0) (1/2,1/4,z+1/2;mx,-my,0) (1/2,3/4,z;-mx,my,0) Operators (OG): (1|0,0,0) (2z|0,1/2,1/2) (mx|1/2,1/2,1/2) (my|1/2,0,0) (1|0,1/2,1/2)' (2z|0,0,0)' (mx|1/2,0,0)' (my|1/2,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8c (x,y,z;mx,my,mz) (-x,-y+1/2,z+1/2;-mx,-my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (-x,-y,z;mx,my,-mz) (-x+1/2,y,z;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) 4b (1/4,y,z;0,my,mz) (-1/4,-y+1/2,z+1/2;0,-my,mz) (1/4,y+1/2,z+1/2;0,-my,-mz) (3/4,-y,z;0,my,-mz) 4a (0,0,z;mx,my,0) (0,1/2,z+1/2;-mx,-my,0) (1/2,1/2,z+1/2;mx,-my,0) (1/2,0,z;-mx,my,0) ---------- UNI: 33.153 Pna2_1.1'_B[Bba2] BNS: 33.153 P_Bna2_1 OG: 41.8.307 A_Pba'2' OG-BNS transformation: (0,1/4,0;b,-a,c) Operators (BNS): (1|0,0,0) (2z|0,0,1/2) (mx|1/2,1/2,1/2) (my|1/2,1/2,0) (1|1/2,0,1/2)' (2z|1/2,0,0)' (mx|0,1/2,0)' (my|0,1/2,1/2)' Wyckoff positions (BNS): 8b (x,y,z;mx,my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (x+1/2,y,z+1/2;-mx,-my,-mz) (-x+1/2,-y,z;mx,my,-mz) (-x,y+1/2,z;-mx,my,mz) (x,-y+1/2,z+1/2;mx,-my,mz) 4a (3/4,0,z;mx,my,0) (1/4,0,z+1/2;-mx,-my,0) (3/4,1/2,z+1/2;mx,-my,0) (1/4,1/2,z;-mx,my,0) Operators (OG): (1|0,0,0) (2z|0,1/2,1/2) (my|1/2,0,1/2) (mx|1/2,1/2,1) (1|0,1/2,1/2)' (2z|0,0,0)' (my|1/2,1/2,1)' (mx|1/2,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (0,1,0)+ (-1,0,0)+ (0,0,1)+ 8b (x,y,z;mx,my,mz) (-x,-y+1/2,z+1/2;-mx,-my,mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (-x+1/2,y+1/2,z+1;mx,-my,-mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (-x,-y,z;mx,my,-mz) (x+1/2,-y+1/2,z+1;mx,-my,mz) (-x+1/2,y,z+1/2;-mx,my,mz) 4a (0,0,z;mx,my,0) (0,1/2,z+1/2;-mx,-my,0) (1/2,0,z+1/2;-mx,my,0) (1/2,1/2,z+1;mx,-my,0) ---------- UNI: 33.154 Pna2_1.1'_C[Ccm2_1] BNS: 33.154 P_Cna2_1 OG: 36.9.257 C_Pm'c'2_1 OG-BNS transformation: (0,0,0;b,-a,c) Operators (BNS): (1|0,0,0) (2z|0,0,1/2) (mx|1/2,1/2,1/2) (my|1/2,1/2,0) (1|1/2,1/2,0)' (2z|1/2,1/2,1/2)' (mx|0,0,1/2)' (my|0,0,0)' Wyckoff positions (BNS): 8b (x,y,z;mx,my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z;mx,-my,mz) 4a (x,0,z;mx,0,mz) (-x,0,z+1/2;-mx,0,mz) (-x+1/2,1/2,z+1/2;mx,0,-mz) (x+1/2,1/2,z;-mx,0,-mz) Operators (OG): (1|0,0,0) (2z|0,0,1/2) (my|1/2,1/2,1/2) (mx|1/2,1/2,0) (1|1/2,1/2,0)' (2z|1/2,1/2,1/2)' (my|0,0,1/2)' (mx|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (0,1,0)+ (-1,0,0)+ (0,0,1)+ 8b (x,y,z;mx,my,mz) (-x,-y,z+1/2;-mx,-my,mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (x,-y,z+1/2;mx,-my,mz) (-x,y,z;-mx,my,mz) 4a (0,y,z;0,my,mz) (0,-y,z+1/2;0,-my,mz) (1/2,-y+1/2,z+1/2;0,my,-mz) (1/2,y+1/2,z;0,-my,-mz) ---------- UNI: 33.155 Pna2_1.1'_I[Ima2] BNS: 33.155 P_Ina2_1 OG: 46.7.344 I_Pm'a2' OG-BNS transformation: (1/4,1/4,0;a,b,c) Operators (BNS): (1|0,0,0) (2z|0,0,1/2) (mx|1/2,1/2,1/2) (my|1/2,1/2,0) (1|1/2,1/2,1/2)' (2z|1/2,1/2,0)' (mx|0,0,0)' (my|0,0,1/2)' Wyckoff positions (BNS): 8c (x,y,z;mx,my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) 4b (0,y,z;0,my,mz) (0,-y,z+1/2;0,-my,mz) (1/2,y+1/2,z+1/2;0,-my,-mz) (1/2,-y+1/2,z;0,my,-mz) 4a (3/4,3/4,z;mx,my,0) (1/4,1/4,z+1/2;-mx,-my,0) (3/4,1/4,z+1/2;mx,-my,0) (1/4,3/4,z;-mx,my,0) Operators (OG): (1|0,0,0) (2z|1/2,1/2,1/2) (mx|1,1/2,1/2) (my|1/2,0,0) (1|1/2,1/2,1/2)' (2z|0,0,0)' (mx|1/2,0,0)' (my|1,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8c (x,y,z;mx,my,mz) (-x+1/2,-y+1/2,z+1/2;-mx,-my,mz) (-x+1,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-x,-y,z;mx,my,-mz) (-x+1/2,y,z;-mx,my,mz) (x+1,-y+1/2,z+1/2;mx,-my,mz) 4b (1/4,y,z;0,my,mz) (1/4,-y+1/2,z+1/2;0,-my,mz) (3/4,y+1/2,z+1/2;0,-my,-mz) (3/4,-y,z;0,my,-mz) 4a (0,0,z;mx,my,0) (1/2,1/2,z+1/2;-mx,-my,0) (1,1/2,z+1/2;mx,-my,0) (1/2,0,z;-mx,my,0) ---------- UNI: 34.156 Pnn2.1 BNS: 34.156 Pnn2 OG: 34.1.231 Pnn2 Operators: (1|0,0,0) (2z|0,0,0) (mx|1/2,1/2,1/2) (my|1/2,1/2,1/2) Wyckoff positions: 4c (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) 2b (0,1/2,z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) 2a (0,0,z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) ---------- UNI: 34.157 Pnn2.1' BNS: 34.157 Pnn21' OG: 34.2.232 Pnn21' Operators: (1|0,0,0) (2z|0,0,0) (mx|1/2,1/2,1/2) (my|1/2,1/2,1/2) (1|0,0,0)' (2z|0,0,0)' (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2)' Wyckoff positions: 4c (x,y,z;0,0,0) (-x,-y,z;0,0,0) (-x+1/2,y+1/2,z+1/2;0,0,0) (x+1/2,-y+1/2,z+1/2;0,0,0) 2b (0,1/2,z;0,0,0) (1/2,0,z+1/2;0,0,0) 2a (0,0,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) ---------- UNI: 34.158 Pn'n2' BNS: 34.158 Pn'n2' OG: 34.3.233 Pn'n2' Operators: (1|0,0,0) (2z|0,0,0)' (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2) Wyckoff positions: 4c (x,y,z;mx,my,mz) (-x,-y,z;mx,my,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) 2b (0,1/2,z;mx,my,0) (1/2,0,z+1/2;-mx,my,0) 2a (0,0,z;mx,my,0) (1/2,1/2,z+1/2;-mx,my,0) ---------- UNI: 34.159 Pn'n'2 BNS: 34.159 Pn'n'2 OG: 34.4.234 Pn'n'2 Operators: (1|0,0,0) (2z|0,0,0) (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2)' Wyckoff positions: 4c (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) 2b (0,1/2,z;0,0,mz) (1/2,0,z+1/2;0,0,mz) 2a (0,0,z;0,0,mz) (1/2,1/2,z+1/2;0,0,mz) ---------- UNI: 34.160 Pnn2.1'_a[Pnc2] BNS: 34.160 P_ann2 OG: 30.7.211 P_2anc'2' OG-BNS transformation: (1/2,0,0;2a,b,c) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|1/2,1/2,1/2) (my|1/2,1/2,1/2) (1|1/2,0,0)' (2z|1/2,0,0)' (mx|0,1/2,1/2)' (my|0,1/2,1/2)' Wyckoff positions (BNS): 8c (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y,z;-mx,-my,-mz) (-x+1/2,-y,z;mx,my,-mz) (-x,y+1/2,z+1/2;-mx,my,mz) (x,-y+1/2,z+1/2;mx,-my,mz) 4b (0,0,z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) (1/2,0,z;0,0,-mz) (0,1/2,z+1/2;0,0,mz) 4a (3/4,0,z;mx,my,0) (1/4,0,z;-mx,-my,0) (3/4,1/2,z+1/2;mx,-my,0) (1/4,1/2,z+1/2;-mx,my,0) Operators (OG): (1|0,0,0) (2z|1,0,0) (mx|0,1/2,1/2) (my|1,1/2,1/2) (1|1,0,0)' (2z|0,0,0)' (mx|1,1/2,1/2)' (my|0,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,1,0)+ (0,0,1)+ 8c (x,y,z;mx,my,mz) (-x+1,-y,z;-mx,-my,mz) (-x,y+1/2,z+1/2;mx,-my,-mz) (x+1,-y+1/2,z+1/2;-mx,my,-mz) (x+1,y,z;-mx,-my,-mz) (-x,-y,z;mx,my,-mz) (-x+1,y+1/2,z+1/2;-mx,my,mz) (x,-y+1/2,z+1/2;mx,-my,mz) 4b (1/2,0,z;0,0,mz) (-1/2,1/2,z+1/2;0,0,-mz) (3/2,0,z;0,0,-mz) (1/2,1/2,z+1/2;0,0,mz) 4a (0,0,z;mx,my,0) (1,0,z;-mx,-my,0) (0,1/2,z+1/2;mx,-my,0) (1,1/2,z+1/2;-mx,my,0) ---------- UNI: 34.161 Pnn2.1'_c[Pba2] BNS: 34.161 P_cnn2 OG: 32.7.225 P_2cb'a'2 OG-BNS transformation: (0,0,0;a,b,2c) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|1/2,1/2,1/2) (my|1/2,1/2,1/2) (1|0,0,1/2)' (2z|0,0,1/2)' (mx|1/2,1/2,0)' (my|1/2,1/2,0)' Wyckoff positions (BNS): 8c (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x,y,z+1/2;-mx,-my,-mz) (-x,-y,z+1/2;mx,my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z;mx,-my,mz) 4b (0,1/2,z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) (1/2,0,z;0,0,mz) 4a (0,0,z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) (0,0,z+1/2;0,0,-mz) (1/2,1/2,z;0,0,mz) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|1/2,1/2,1) (my|1/2,1/2,1) (1|0,0,1)' (2z|0,0,1)' (mx|1/2,1/2,0)' (my|1/2,1/2,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 8c (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y+1/2,z+1;mx,-my,-mz) (x+1/2,-y+1/2,z+1;-mx,my,-mz) (x,y,z+1;-mx,-my,-mz) (-x,-y,z+1;mx,my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z;mx,-my,mz) 4b (0,1/2,z;0,0,mz) (1/2,1,z+1;0,0,-mz) (0,1/2,z+1;0,0,-mz) (1/2,1,z;0,0,mz) 4a (0,0,z;0,0,mz) (1/2,1/2,z+1;0,0,-mz) (0,0,z+1;0,0,-mz) (1/2,1/2,z;0,0,mz) ---------- UNI: 34.162 Pnn2.1'_A[Ama2] BNS: 34.162 P_Ann2 OG: 40.9.299 A_Pm'a'2 OG-BNS transformation: (0,0,0;a,b,c) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|1/2,1/2,1/2) (my|1/2,1/2,1/2) (1|0,1/2,1/2)' (2z|0,1/2,1/2)' (mx|1/2,0,0)' (my|1/2,0,0)' Wyckoff positions (BNS): 8c (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (-x,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,y,z;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) 4b (1/4,y,z;0,my,mz) (3/4,-y,z;0,-my,mz) (1/4,y+1/2,z+1/2;0,-my,-mz) (3/4,-y+1/2,z+1/2;0,my,-mz) 4a (0,0,z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) (1/2,0,z;0,0,mz) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|1/2,1/2,1/2) (my|1/2,1/2,1/2) (1|0,1/2,1/2)' (2z|0,1/2,1/2)' (mx|1/2,0,0)' (my|1/2,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8c (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (-x,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,y,z;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) 4b (1/4,y,z;0,my,mz) (-1/4,-y,z;0,-my,mz) (1/4,y+1/2,z+1/2;0,-my,-mz) (3/4,-y+1/2,z+1/2;0,my,-mz) 4a (0,0,z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) (1/2,0,z;0,0,mz) ---------- UNI: 34.163 Pnn2.1'_C[Ccc2] BNS: 34.163 P_Cnn2 OG: 37.7.264 C_Pc'c'2 OG-BNS transformation: (0,0,0;a,b,c) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|1/2,1/2,1/2) (my|1/2,1/2,1/2) (1|1/2,1/2,0)' (2z|1/2,1/2,0)' (mx|0,0,1/2)' (my|0,0,1/2)' Wyckoff positions (BNS): 8d (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) 4c (1/4,1/4,z;mx,my,0) (3/4,3/4,z;-mx,-my,0) (1/4,3/4,z+1/2;mx,-my,0) (3/4,1/4,z+1/2;-mx,my,0) 4b (0,1/2,z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) (1/2,0,z;0,0,-mz) (0,1/2,z+1/2;0,0,mz) 4a (0,0,z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) (1/2,1/2,z;0,0,-mz) (0,0,z+1/2;0,0,mz) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|1/2,1/2,1/2) (my|1/2,1/2,1/2) (1|1/2,1/2,0)' (2z|1/2,1/2,0)' (mx|0,0,1/2)' (my|0,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8d (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) 4c (1/4,1/4,z;mx,my,0) (-1/4,-1/4,z;-mx,-my,0) (1/4,3/4,z+1/2;mx,-my,0) (3/4,1/4,z+1/2;-mx,my,0) 4b (0,1/2,z;0,0,mz) (1/2,1,z+1/2;0,0,-mz) (1/2,1,z;0,0,-mz) (0,1/2,z+1/2;0,0,mz) 4a (0,0,z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) (1/2,1/2,z;0,0,-mz) (0,0,z+1/2;0,0,mz) ---------- UNI: 34.164 Pnn2.1'_I[Imm2] BNS: 34.164 P_Inn2 OG: 44.7.330 I_Pm'm'2 OG-BNS transformation: (0,0,0;a,b,c) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|1/2,1/2,1/2) (my|1/2,1/2,1/2) (1|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (mx|0,0,0)' (my|0,0,0)' Wyckoff positions (BNS): 8e (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) 4d (0,y,z;0,my,mz) (0,-y,z;0,-my,mz) (1/2,y+1/2,z+1/2;0,-my,-mz) (1/2,-y+1/2,z+1/2;0,my,-mz) 4c (x,0,z;mx,0,mz) (-x,0,z;-mx,0,mz) (-x+1/2,1/2,z+1/2;mx,0,-mz) (x+1/2,1/2,z+1/2;-mx,0,-mz) 2b (0,1/2,z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) 2a (0,0,z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|1/2,1/2,1/2) (my|1/2,1/2,1/2) (1|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (mx|0,0,0)' (my|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8e (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) 4d (0,y,z;0,my,mz) (0,-y,z;0,-my,mz) (1/2,y+1/2,z+1/2;0,-my,-mz) (1/2,-y+1/2,z+1/2;0,my,-mz) 4c (x,0,z;mx,0,mz) (-x,0,z;-mx,0,mz) (-x+1/2,1/2,z+1/2;mx,0,-mz) (x+1/2,1/2,z+1/2;-mx,0,-mz) 2b (0,1/2,z;0,0,mz) (1/2,1,z+1/2;0,0,-mz) 2a (0,0,z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) ---------- UNI: 35.165 Cmm2.1 BNS: 35.165 Cmm2 OG: 35.1.236 Cmm2 Operators: (1|0,0,0) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) Wyckoff positions: (0,0,0)+ (1/2,1/2,0)+ 8f (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) 4e (0,y,z;mx,0,0) (0,-y,z;-mx,0,0) 4d (x,0,z;0,my,0) (-x,0,z;0,-my,0) 4c (1/4,1/4,z;0,0,mz) (3/4,1/4,z;0,0,-mz) 2b (0,1/2,z;0,0,0) 2a (0,0,z;0,0,0) ---------- UNI: 35.166 Cmm2.1' BNS: 35.166 Cmm21' OG: 35.2.237 Cmm21' Operators: (1|0,0,0) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) (1|0,0,0)' (2z|0,0,0)' (mx|0,0,0)' (my|0,0,0)' Wyckoff positions: (0,0,0)+ (1/2,1/2,0)+ 8f (x,y,z;0,0,0) (-x,-y,z;0,0,0) (-x,y,z;0,0,0) (x,-y,z;0,0,0) 4e (0,y,z;0,0,0) (0,-y,z;0,0,0) 4d (x,0,z;0,0,0) (-x,0,z;0,0,0) 4c (1/4,1/4,z;0,0,0) (3/4,1/4,z;0,0,0) 2b (0,1/2,z;0,0,0) 2a (0,0,z;0,0,0) ---------- UNI: 35.167 Cm'm2' BNS: 35.167 Cm'm2' OG: 35.3.238 Cm'm2' Operators: (1|0,0,0) (2z|0,0,0)' (mx|0,0,0)' (my|0,0,0) Wyckoff positions: (0,0,0)+ (1/2,1/2,0)+ 8f (x,y,z;mx,my,mz) (-x,-y,z;mx,my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;-mx,my,-mz) 4e (0,y,z;0,my,mz) (0,-y,z;0,my,-mz) 4d (x,0,z;0,my,0) (-x,0,z;0,my,0) 4c (1/4,1/4,z;mx,my,0) (1/4,3/4,z;-mx,my,0) 2b (0,1/2,z;0,my,0) 2a (0,0,z;0,my,0) ---------- UNI: 35.168 Cm'm'2 BNS: 35.168 Cm'm'2 OG: 35.4.239 Cm'm'2 Operators: (1|0,0,0) (2z|0,0,0) (mx|0,0,0)' (my|0,0,0)' Wyckoff positions: (0,0,0)+ (1/2,1/2,0)+ 8f (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) 4e (0,y,z;0,my,mz) (0,-y,z;0,-my,mz) 4d (x,0,z;mx,0,mz) (-x,0,z;-mx,0,mz) 4c (1/4,1/4,z;0,0,mz) (3/4,1/4,z;0,0,mz) 2b (0,1/2,z;0,0,mz) 2a (0,0,z;0,0,mz) ---------- UNI: 35.169 Cmm2.1'_c[Cmm2] BNS: 35.169 C_cmm2 OG: 35.5.240 C_2cmm2 OG-BNS transformation: (0,0,0;a,b,2c) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) (1|0,0,1/2)' (2z|0,0,1/2)' (mx|0,0,1/2)' (my|0,0,1/2)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,0)+ 16f (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,z+1/2;-mx,-my,-mz) (-x,-y,z+1/2;mx,my,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) 8e (0,y,z;mx,0,0) (0,-y,z;-mx,0,0) (0,y,z+1/2;-mx,0,0) (0,-y,z+1/2;mx,0,0) 8d (x,0,z;0,my,0) (-x,0,z;0,-my,0) (x,0,z+1/2;0,-my,0) (-x,0,z+1/2;0,my,0) 8c (1/4,1/4,z;0,0,mz) (3/4,1/4,z;0,0,-mz) (1/4,1/4,z+1/2;0,0,-mz) (3/4,1/4,z+1/2;0,0,mz) 4b (0,1/2,z;0,0,0) (0,1/2,z+1/2;0,0,0) 4a (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) (1|0,0,1)' (2z|0,0,1)' (mx|0,0,1)' (my|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ (1/2,1/2,0)+ 16f (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,z+1;-mx,-my,-mz) (-x,-y,z+1;mx,my,-mz) (-x,y,z+1;-mx,my,mz) (x,-y,z+1;mx,-my,mz) 8e (0,y,z;mx,0,0) (0,-y,z;-mx,0,0) (0,y,z+1;-mx,0,0) (0,-y,z+1;mx,0,0) 8d (x,0,z;0,my,0) (-x,0,z;0,-my,0) (x,0,z+1;0,-my,0) (-x,0,z+1;0,my,0) 8c (1/4,1/4,z;0,0,mz) (-1/4,1/4,z;0,0,-mz) (1/4,1/4,z+1;0,0,-mz) (-1/4,1/4,z+1;0,0,mz) 4b (0,1/2,z;0,0,0) (0,1/2,z+1;0,0,0) 4a (0,0,z;0,0,0) (0,0,z+1;0,0,0) ---------- UNI: 35.170 Cmm2.1'_a[Pmm2] BNS: 35.170 C_amm2 OG: 25.7.161 P_Cmm2 OG-BNS transformation: (0,0,0;2a,2b,c) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) (1|1/2,0,0)' (2z|1/2,0,0)' (mx|1/2,0,0)' (my|1/2,0,0)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,0)+ 16i (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x+1/2,y,z;-mx,-my,-mz) (-x+1/2,-y,z;mx,my,-mz) (-x+1/2,y,z;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) 8h (1/4,y,z;0,my,mz) (3/4,-y,z;0,-my,mz) (3/4,y,z;0,-my,-mz) (1/4,-y,z;0,my,-mz) 8g (0,y,z;mx,0,0) (0,-y,z;-mx,0,0) (1/2,y,z;-mx,0,0) (1/2,-y,z;mx,0,0) 8f (x,1/4,z;mx,0,mz) (-x,3/4,z;-mx,0,mz) (-x,1/4,z;mx,0,-mz) (x,3/4,z;-mx,0,-mz) 8e (x,0,z;0,my,0) (-x,0,z;0,-my,0) (x+1/2,0,z;0,-my,0) (-x+1/2,0,z;0,my,0) 4d (1/4,1/4,z;0,0,mz) (3/4,1/4,z;0,0,-mz) 4c (1/4,0,z;0,my,0) (3/4,0,z;0,-my,0) 4b (0,1/4,z;mx,0,0) (0,3/4,z;-mx,0,0) 4a (0,0,z;0,0,0) (1/2,0,z;0,0,0) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) (1|1,0,0)' (2z|1,0,0)' (mx|1,0,0)' (my|1,0,0)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,2,0)+ (0,0,1)+ (1,1,0)+ 16i (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x+1,y,z;-mx,-my,-mz) (-x+1,-y,z;mx,my,-mz) (-x+1,y,z;-mx,my,mz) (x+1,-y,z;mx,-my,mz) 8h (1/2,y,z;0,my,mz) (-1/2,-y,z;0,-my,mz) (-1/2,y,z;0,-my,-mz) (1/2,-y,z;0,my,-mz) 8g (0,y,z;mx,0,0) (0,-y,z;-mx,0,0) (1,y,z;-mx,0,0) (1,-y,z;mx,0,0) 8f (x,1/2,z;mx,0,mz) (-x,-1/2,z;-mx,0,mz) (-x,1/2,z;mx,0,-mz) (x,-1/2,z;-mx,0,-mz) 8e (x,0,z;0,my,0) (-x,0,z;0,-my,0) (x+1,0,z;0,-my,0) (-x+1,0,z;0,my,0) 4d (1/2,1/2,z;0,0,mz) (-1/2,1/2,z;0,0,-mz) 4c (1/2,0,z;0,my,0) (-1/2,0,z;0,-my,0) 4b (0,1/2,z;mx,0,0) (0,-1/2,z;-mx,0,0) 4a (0,0,z;0,0,0) (1,0,z;0,0,0) ---------- UNI: 35.171 Cmm2.1'_A[Fmm2] BNS: 35.171 C_Amm2 OG: 42.5.313 F_Cmm2 OG-BNS transformation: (0,0,0;a,b,c) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) (1|0,1/2,1/2)' (2z|1/2,0,1/2)' (mx|1/2,0,1/2)' (my|1/2,0,1/2)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,0)+ 16e (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) 8d (x,0,z;0,my,0) (-x,0,z;0,-my,0) (x,1/2,z+1/2;0,-my,0) (-x+1/2,0,z+1/2;0,my,0) 8c (0,y,z;mx,0,0) (0,-y,z;-mx,0,0) (0,y+1/2,z+1/2;-mx,0,0) (1/2,-y,z+1/2;mx,0,0) 8b (1/4,1/4,z;0,0,mz) (3/4,1/4,z;0,0,-mz) (1/4,3/4,z+1/2;0,0,-mz) (1/4,1/4,z+1/2;0,0,mz) 4a (0,0,z;0,0,0) (0,1/2,z+1/2;0,0,0) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) (1|1/2,0,1/2)' (2z|1/2,0,1/2)' (mx|1/2,0,1/2)' (my|1/2,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,0)+ 16e (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x+1/2,y,z+1/2;-mx,-my,-mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) 8d (x,0,z;0,my,0) (-x,0,z;0,-my,0) (x+1/2,0,z+1/2;0,-my,0) (-x+1/2,0,z+1/2;0,my,0) 8c (0,y,z;mx,0,0) (0,-y,z;-mx,0,0) (1/2,y,z+1/2;-mx,0,0) (1/2,-y,z+1/2;mx,0,0) 8b (1/4,1/4,z;0,0,mz) (-1/4,1/4,z;0,0,-mz) (3/4,1/4,z+1/2;0,0,-mz) (1/4,1/4,z+1/2;0,0,mz) 4a (0,0,z;0,0,0) (1/2,0,z+1/2;0,0,0) ---------- UNI: 36.172 Cmc2_1.1 BNS: 36.172 Cmc2_1 OG: 36.1.249 Cmc2_1 Operators: (1|0,0,0) (2z|0,0,1/2) (mx|0,0,0) (my|0,0,1/2) Wyckoff positions: (0,0,0)+ (1/2,1/2,0)+ 8b (x,y,z;mx,my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) 4a (0,y,z;mx,0,0) (0,-y,z+1/2;-mx,0,0) ---------- UNI: 36.173 Cmc2_1.1' BNS: 36.173 Cmc2_11' OG: 36.2.250 Cmc2_11' Operators: (1|0,0,0) (2z|0,0,1/2) (mx|0,0,0) (my|0,0,1/2) (1|0,0,0)' (2z|0,0,1/2)' (mx|0,0,0)' (my|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1/2,1/2,0)+ 8b (x,y,z;0,0,0) (-x,-y,z+1/2;0,0,0) (-x,y,z;0,0,0) (x,-y,z+1/2;0,0,0) 4a (0,y,z;0,0,0) (0,-y,z+1/2;0,0,0) ---------- UNI: 36.174 Cm'c2_1' BNS: 36.174 Cm'c2_1' OG: 36.3.251 Cm'c2_1' Operators: (1|0,0,0) (2z|0,0,1/2)' (mx|0,0,0)' (my|0,0,1/2) Wyckoff positions: (0,0,0)+ (1/2,1/2,0)+ 8b (x,y,z;mx,my,mz) (-x,-y,z+1/2;mx,my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) 4a (0,y,z;0,my,mz) (0,-y,z+1/2;0,my,-mz) ---------- UNI: 36.175 Cmc'2_1' BNS: 36.175 Cmc'2_1' OG: 36.4.252 Cmc'2_1' Operators: (1|0,0,0) (2z|0,0,1/2)' (mx|0,0,0) (my|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1/2,1/2,0)+ 8b (x,y,z;mx,my,mz) (-x,-y,z+1/2;mx,my,-mz) (-x,y,z;mx,-my,-mz) (x,-y,z+1/2;mx,-my,mz) 4a (0,y,z;mx,0,0) (0,-y,z+1/2;mx,0,0) ---------- UNI: 36.176 Cm'c'2_1 BNS: 36.176 Cm'c'2_1 OG: 36.5.253 Cm'c'2_1 Operators: (1|0,0,0) (2z|0,0,1/2) (mx|0,0,0)' (my|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1/2,1/2,0)+ 8b (x,y,z;mx,my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x,y,z;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) 4a (0,y,z;0,my,mz) (0,-y,z+1/2;0,-my,mz) ---------- UNI: 36.177 Cmc2_1.1'_c[Cmm2] BNS: 36.177 C_cmc2_1 OG: 35.8.243 C_2cm'm2' OG-BNS transformation: (0,0,0;b,-a,2c) Operators (BNS): (1|0,0,0) (2z|0,0,1/2) (mx|0,0,0) (my|0,0,1/2) (1|0,0,1/2)' (2z|0,0,0)' (mx|0,0,1/2)' (my|0,0,0)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,0)+ 16f (x,y,z;mx,my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,z+1/2;-mx,-my,-mz) (-x,-y,z;mx,my,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z;mx,-my,mz) 8e (x,0,z;mx,0,mz) (-x,0,z+1/2;-mx,0,mz) (-x,0,z;mx,0,-mz) (x,0,z+1/2;-mx,0,-mz) 8d (0,y,z;mx,0,0) (0,-y,z+1/2;-mx,0,0) (0,y,z+1/2;-mx,0,0) (0,-y,z;mx,0,0) 8c (1/4,3/4,z;mx,my,0) (3/4,1/4,z+1/2;-mx,-my,0) (3/4,3/4,z;mx,-my,0) (1/4,1/4,z+1/2;-mx,my,0) 4b (1/2,0,z;mx,0,0) (1/2,0,z+1/2;-mx,0,0) 4a (0,0,z;mx,0,0) (0,0,z+1/2;-mx,0,0) Operators (OG): (1|0,0,0) (2z|0,0,1) (my|0,0,0) (mx|0,0,1) (1|0,0,1)' (2z|0,0,0)' (my|0,0,1)' (mx|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (0,1,0)+ (-1,0,0)+ (0,0,2)+ (-1/2,1/2,0)+ 16f (x,y,z;mx,my,mz) (-x,-y,z+1;-mx,-my,mz) (x,-y,z;-mx,my,-mz) (-x,y,z+1;mx,-my,-mz) (x,y,z+1;-mx,-my,-mz) (-x,-y,z;mx,my,-mz) (x,-y,z+1;mx,-my,mz) (-x,y,z;-mx,my,mz) 8e (0,y,z;0,my,mz) (0,-y,z+1;0,-my,mz) (0,-y,z;0,my,-mz) (0,y,z+1;0,-my,-mz) 8d (x,0,z;0,my,0) (-x,0,z+1;0,-my,0) (x,0,z+1;0,-my,0) (-x,0,z;0,my,0) 8c (1/4,1/4,z;mx,my,0) (-1/4,-1/4,z+1;-mx,-my,0) (1/4,-1/4,z;-mx,my,0) (-1/4,1/4,z+1;mx,-my,0) 4b (0,1/2,z;0,my,0) (0,-1/2,z+1;0,-my,0) 4a (0,0,z;0,my,0) (0,0,z+1;0,-my,0) ---------- UNI: 36.178 Cmc2_1.1'_a[Pmc2_1] BNS: 36.178 C_amc2_1 OG: 26.8.175 P_Cmc2_1 OG-BNS transformation: (0,0,0;2a,2b,c) Operators (BNS): (1|0,0,0) (2z|0,0,1/2) (mx|0,0,0) (my|0,0,1/2) (1|1/2,0,0)' (2z|1/2,0,1/2)' (mx|1/2,0,0)' (my|1/2,0,1/2)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,0)+ 16c (x,y,z;mx,my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y,z;-mx,-my,-mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x+1/2,y,z;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) 8b (1/4,y,z;0,my,mz) (3/4,-y,z+1/2;0,-my,mz) (3/4,y,z;0,-my,-mz) (1/4,-y,z+1/2;0,my,-mz) 8a (0,y,z;mx,0,0) (0,-y,z+1/2;-mx,0,0) (1/2,y,z;-mx,0,0) (1/2,-y,z+1/2;mx,0,0) Operators (OG): (1|0,0,0) (2z|0,0,1/2) (mx|0,0,0) (my|0,0,1/2) (1|1,0,0)' (2z|1,0,1/2)' (mx|1,0,0)' (my|1,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,2,0)+ (0,0,1)+ (1,1,0)+ 16c (x,y,z;mx,my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1,y,z;-mx,-my,-mz) (-x+1,-y,z+1/2;mx,my,-mz) (-x+1,y,z;-mx,my,mz) (x+1,-y,z+1/2;mx,-my,mz) 8b (1/2,y,z;0,my,mz) (-1/2,-y,z+1/2;0,-my,mz) (-1/2,y,z;0,-my,-mz) (1/2,-y,z+1/2;0,my,-mz) 8a (0,y,z;mx,0,0) (0,-y,z+1/2;-mx,0,0) (1,y,z;-mx,0,0) (1,-y,z+1/2;mx,0,0) ---------- UNI: 36.179 Cmc2_1.1'_A[Fmm2] BNS: 36.179 C_Amc2_1 OG: 42.7.315 F_Cmm'2' OG-BNS transformation: (0,1/4,0;a,b,c) Operators (BNS): (1|0,0,0) (2z|0,0,1/2) (mx|0,0,0) (my|0,0,1/2) (1|0,1/2,1/2)' (2z|1/2,0,0)' (mx|1/2,0,1/2)' (my|1/2,0,0)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,0)+ 16e (x,y,z;mx,my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (-x+1/2,-y,z;mx,my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) 8d (x,3/4,z;mx,0,mz) (-x,1/4,z+1/2;-mx,0,mz) (-x,3/4,z;mx,0,-mz) (x,1/4,z+1/2;-mx,0,-mz) 8c (0,y,z;mx,0,0) (0,-y,z+1/2;-mx,0,0) (0,y+1/2,z+1/2;-mx,0,0) (1/2,-y,z;mx,0,0) 8b (1/4,0,z;mx,my,0) (3/4,0,z+1/2;-mx,-my,0) (3/4,0,z;mx,-my,0) (1/4,0,z+1/2;-mx,my,0) 4a (0,3/4,z;mx,0,0) (0,1/4,z+1/2;-mx,0,0) Operators (OG): (1|0,0,0) (2z|1/2,0,1/2) (mx|0,0,0) (my|1/2,0,1/2) (1|1/2,0,1/2)' (2z|0,0,0)' (mx|1/2,0,1/2)' (my|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,0)+ 16e (x,y,z;mx,my,mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y,z+1/2;-mx,-my,-mz) (-x,-y,z;mx,my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x,-y,z;mx,-my,mz) 8d (x,0,z;mx,0,mz) (-x+1/2,0,z+1/2;-mx,0,mz) (-x,0,z;mx,0,-mz) (x+1/2,0,z+1/2;-mx,0,-mz) 8c (0,y,z;mx,0,0) (1/2,-y,z+1/2;-mx,0,0) (1/2,y,z+1/2;-mx,0,0) (0,-y,z;mx,0,0) 8b (1/4,1/4,z;mx,my,0) (1/4,-1/4,z+1/2;-mx,-my,0) (-1/4,1/4,z;mx,-my,0) (3/4,-1/4,z+1/2;-mx,my,0) 4a (0,0,z;mx,0,0) (1/2,0,z+1/2;-mx,0,0) ---------- UNI: 37.180 Ccc2.1 BNS: 37.180 Ccc2 OG: 37.1.258 Ccc2 Operators: (1|0,0,0) (2z|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) Wyckoff positions: (0,0,0)+ (1/2,1/2,0)+ 8d (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) 4c (1/4,1/4,z;0,0,mz) (3/4,1/4,z+1/2;0,0,-mz) 4b (0,1/2,z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) 4a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) ---------- UNI: 37.181 Ccc2.1' BNS: 37.181 Ccc21' OG: 37.2.259 Ccc21' Operators: (1|0,0,0) (2z|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (1|0,0,0)' (2z|0,0,0)' (mx|0,0,1/2)' (my|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1/2,1/2,0)+ 8d (x,y,z;0,0,0) (-x,-y,z;0,0,0) (-x,y,z+1/2;0,0,0) (x,-y,z+1/2;0,0,0) 4c (1/4,1/4,z;0,0,0) (3/4,1/4,z+1/2;0,0,0) 4b (0,1/2,z;0,0,0) (0,1/2,z+1/2;0,0,0) 4a (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) ---------- UNI: 37.182 Cc'c2' BNS: 37.182 Cc'c2' OG: 37.3.260 Cc'c2' Operators: (1|0,0,0) (2z|0,0,0)' (mx|0,0,1/2)' (my|0,0,1/2) Wyckoff positions: (0,0,0)+ (1/2,1/2,0)+ 8d (x,y,z;mx,my,mz) (-x,-y,z;mx,my,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) 4c (1/4,1/4,z;mx,my,0) (1/4,3/4,z+1/2;-mx,my,0) 4b (0,1/2,z;mx,my,0) (0,1/2,z+1/2;-mx,my,0) 4a (0,0,z;mx,my,0) (0,0,z+1/2;-mx,my,0) ---------- UNI: 37.183 Cc'c'2 BNS: 37.183 Cc'c'2 OG: 37.4.261 Cc'c'2 Operators: (1|0,0,0) (2z|0,0,0) (mx|0,0,1/2)' (my|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1/2,1/2,0)+ 8d (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) 4c (1/4,1/4,z;0,0,mz) (3/4,1/4,z+1/2;0,0,mz) 4b (0,1/2,z;0,0,mz) (0,1/2,z+1/2;0,0,mz) 4a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,mz) ---------- UNI: 37.184 Ccc2.1'_c[Cmm2] BNS: 37.184 C_ccc2 OG: 35.9.244 C_2cm'm'2 OG-BNS transformation: (0,0,0;a,b,2c) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (1|0,0,1/2)' (2z|0,0,1/2)' (mx|0,0,0)' (my|0,0,0)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,0)+ 16f (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,z+1/2;-mx,-my,-mz) (-x,-y,z+1/2;mx,my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) 8e (0,y,z;0,my,mz) (0,-y,z;0,-my,mz) (0,y,z+1/2;0,-my,-mz) (0,-y,z+1/2;0,my,-mz) 8d (x,0,z;mx,0,mz) (-x,0,z;-mx,0,mz) (-x,0,z+1/2;mx,0,-mz) (x,0,z+1/2;-mx,0,-mz) 8c (1/4,1/4,z;0,0,mz) (3/4,1/4,z+1/2;0,0,-mz) (1/4,1/4,z+1/2;0,0,-mz) (3/4,1/4,z;0,0,mz) 4b (0,1/2,z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) 4a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|0,0,1) (my|0,0,1) (1|0,0,1)' (2z|0,0,1)' (mx|0,0,0)' (my|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ (1/2,1/2,0)+ 16f (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1;mx,-my,-mz) (x,-y,z+1;-mx,my,-mz) (x,y,z+1;-mx,-my,-mz) (-x,-y,z+1;mx,my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) 8e (0,y,z;0,my,mz) (0,-y,z;0,-my,mz) (0,y,z+1;0,-my,-mz) (0,-y,z+1;0,my,-mz) 8d (x,0,z;mx,0,mz) (-x,0,z;-mx,0,mz) (-x,0,z+1;mx,0,-mz) (x,0,z+1;-mx,0,-mz) 8c (1/4,1/4,z;0,0,mz) (-1/4,1/4,z+1;0,0,-mz) (1/4,1/4,z+1;0,0,-mz) (-1/4,1/4,z;0,0,mz) 4b (0,1/2,z;0,0,mz) (0,1/2,z+1;0,0,-mz) 4a (0,0,z;0,0,mz) (0,0,z+1;0,0,-mz) ---------- UNI: 37.185 Ccc2.1'_a[Pcc2] BNS: 37.185 C_acc2 OG: 27.6.183 P_Ccc2 OG-BNS transformation: (0,0,0;2a,2b,c) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (1|1/2,0,0)' (2z|1/2,0,0)' (mx|1/2,0,1/2)' (my|1/2,0,1/2)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,0)+ 16e (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y,z;-mx,-my,-mz) (-x+1/2,-y,z;mx,my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) 8d (1/4,1/4,z;0,0,mz) (3/4,1/4,z+1/2;0,0,-mz) (3/4,1/4,z;0,0,-mz) (1/4,1/4,z+1/2;0,0,mz) 8c (1/4,0,z;mx,my,0) (3/4,0,z;-mx,-my,0) (3/4,0,z+1/2;mx,-my,0) (1/4,0,z+1/2;-mx,my,0) 8b (0,1/4,z;mx,my,0) (0,3/4,z;-mx,-my,0) (0,1/4,z+1/2;mx,-my,0) (0,3/4,z+1/2;-mx,my,0) 8a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) (1/2,0,z;0,0,-mz) (1/2,0,z+1/2;0,0,mz) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (1|1,0,0)' (2z|1,0,0)' (mx|1,0,1/2)' (my|1,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,2,0)+ (0,0,1)+ (1,1,0)+ 16e (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1,y,z;-mx,-my,-mz) (-x+1,-y,z;mx,my,-mz) (-x+1,y,z+1/2;-mx,my,mz) (x+1,-y,z+1/2;mx,-my,mz) 8d (1/2,1/2,z;0,0,mz) (-1/2,1/2,z+1/2;0,0,-mz) (3/2,1/2,z;0,0,-mz) (1/2,1/2,z+1/2;0,0,mz) 8c (1/2,0,z;mx,my,0) (-1/2,0,z;-mx,-my,0) (-1/2,0,z+1/2;mx,-my,0) (1/2,0,z+1/2;-mx,my,0) 8b (0,1/2,z;mx,my,0) (0,-1/2,z;-mx,-my,0) (0,1/2,z+1/2;mx,-my,0) (0,-1/2,z+1/2;-mx,my,0) 8a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) (1,0,z;0,0,-mz) (1,0,z+1/2;0,0,mz) ---------- UNI: 37.186 Ccc2.1'_A[Fmm2] BNS: 37.186 C_Acc2 OG: 42.8.316 F_Cm'm'2 OG-BNS transformation: (1/4,1/4,0;a,b,c) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (1|0,1/2,1/2)' (2z|1/2,0,1/2)' (mx|1/2,0,0)' (my|1/2,0,0)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,0)+ 16e (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x+1/2,y,z;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) 8d (x,3/4,z;mx,0,mz) (-x,1/4,z;-mx,0,mz) (-x,3/4,z+1/2;mx,0,-mz) (x,1/4,z+1/2;-mx,0,-mz) 8c (3/4,y,z;0,my,mz) (1/4,-y,z;0,-my,mz) (1/4,y,z+1/2;0,-my,-mz) (3/4,-y,z+1/2;0,my,-mz) 8b (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) (1/2,0,z;0,0,mz) 4a (3/4,3/4,z;0,0,mz) (1/4,3/4,z+1/2;0,0,-mz) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|1/2,0,1/2) (my|1/2,0,1/2) (1|1/2,0,1/2)' (2z|1/2,0,1/2)' (mx|0,0,0)' (my|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,0)+ 16e (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y,z+1/2;-mx,-my,-mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) 8d (x,0,z;mx,0,mz) (-x,0,z;-mx,0,mz) (-x+1/2,0,z+1/2;mx,0,-mz) (x+1/2,0,z+1/2;-mx,0,-mz) 8c (0,y,z;0,my,mz) (0,-y,z;0,-my,mz) (1/2,y,z+1/2;0,-my,-mz) (1/2,-y,z+1/2;0,my,-mz) 8b (1/4,1/4,z;0,0,mz) (1/4,1/4,z+1/2;0,0,-mz) (3/4,1/4,z+1/2;0,0,-mz) (-1/4,1/4,z;0,0,mz) 4a (0,0,z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) ---------- UNI: 38.187 Amm2.1 BNS: 38.187 Amm2 OG: 38.1.265 Amm2 Operators: (1|0,0,0) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) Wyckoff positions: (0,0,0)+ (0,1/2,1/2)+ 8f (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) 4e (1/2,y,z;mx,0,0) (1/2,-y,z;-mx,0,0) 4d (0,y,z;mx,0,0) (0,-y,z;-mx,0,0) 4c (x,0,z;0,my,0) (-x,0,z;0,-my,0) 2b (1/2,0,z;0,0,0) 2a (0,0,z;0,0,0) ---------- UNI: 38.188 Amm2.1' BNS: 38.188 Amm21' OG: 38.2.266 Amm21' Operators: (1|0,0,0) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) (1|0,0,0)' (2z|0,0,0)' (mx|0,0,0)' (my|0,0,0)' Wyckoff positions: (0,0,0)+ (0,1/2,1/2)+ 8f (x,y,z;0,0,0) (-x,-y,z;0,0,0) (-x,y,z;0,0,0) (x,-y,z;0,0,0) 4e (1/2,y,z;0,0,0) (1/2,-y,z;0,0,0) 4d (0,y,z;0,0,0) (0,-y,z;0,0,0) 4c (x,0,z;0,0,0) (-x,0,z;0,0,0) 2b (1/2,0,z;0,0,0) 2a (0,0,z;0,0,0) ---------- UNI: 38.189 Am'm2' BNS: 38.189 Am'm2' OG: 38.3.267 Am'm2' Operators: (1|0,0,0) (2z|0,0,0)' (mx|0,0,0)' (my|0,0,0) Wyckoff positions: (0,0,0)+ (0,1/2,1/2)+ 8f (x,y,z;mx,my,mz) (-x,-y,z;mx,my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;-mx,my,-mz) 4e (1/2,y,z;0,my,mz) (1/2,-y,z;0,my,-mz) 4d (0,y,z;0,my,mz) (0,-y,z;0,my,-mz) 4c (x,0,z;0,my,0) (-x,0,z;0,my,0) 2b (1/2,0,z;0,my,0) 2a (0,0,z;0,my,0) ---------- UNI: 38.190 Amm'2' BNS: 38.190 Amm'2' OG: 38.4.268 Amm'2' Operators: (1|0,0,0) (2z|0,0,0)' (mx|0,0,0) (my|0,0,0)' Wyckoff positions: (0,0,0)+ (0,1/2,1/2)+ 8f (x,y,z;mx,my,mz) (-x,-y,z;mx,my,-mz) (-x,y,z;mx,-my,-mz) (x,-y,z;mx,-my,mz) 4e (1/2,y,z;mx,0,0) (1/2,-y,z;mx,0,0) 4d (0,y,z;mx,0,0) (0,-y,z;mx,0,0) 4c (x,0,z;mx,0,mz) (-x,0,z;mx,0,-mz) 2b (1/2,0,z;mx,0,0) 2a (0,0,z;mx,0,0) ---------- UNI: 38.191 Am'm'2 BNS: 38.191 Am'm'2 OG: 38.5.269 Am'm'2 Operators: (1|0,0,0) (2z|0,0,0) (mx|0,0,0)' (my|0,0,0)' Wyckoff positions: (0,0,0)+ (0,1/2,1/2)+ 8f (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) 4e (1/2,y,z;0,my,mz) (1/2,-y,z;0,-my,mz) 4d (0,y,z;0,my,mz) (0,-y,z;0,-my,mz) 4c (x,0,z;mx,0,mz) (-x,0,z;-mx,0,mz) 2b (1/2,0,z;0,0,mz) 2a (0,0,z;0,0,mz) ---------- UNI: 38.192 Amm2.1'_a[Amm2] BNS: 38.192 A_amm2 OG: 38.6.270 A_2amm2 OG-BNS transformation: (0,0,0;2a,b,c) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) (1|1/2,0,0)' (2z|1/2,0,0)' (mx|1/2,0,0)' (my|1/2,0,0)' Wyckoff positions (BNS): (0,0,0)+ (0,1/2,1/2)+ 16f (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x+1/2,y,z;-mx,-my,-mz) (-x+1/2,-y,z;mx,my,-mz) (-x+1/2,y,z;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) 8e (1/4,y,z;0,my,mz) (3/4,-y,z;0,-my,mz) (3/4,y,z;0,-my,-mz) (1/4,-y,z;0,my,-mz) 8d (0,y,z;mx,0,0) (0,-y,z;-mx,0,0) (1/2,y,z;-mx,0,0) (1/2,-y,z;mx,0,0) 8c (x,0,z;0,my,0) (-x,0,z;0,-my,0) (x+1/2,0,z;0,-my,0) (-x+1/2,0,z;0,my,0) 4b (1/4,0,z;0,my,0) (3/4,0,z;0,-my,0) 4a (0,0,z;0,0,0) (1/2,0,z;0,0,0) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) (1|1,0,0)' (2z|1,0,0)' (mx|1,0,0)' (my|1,0,0)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,1,0)+ (0,0,1)+ (0,1/2,1/2)+ 16f (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x+1,y,z;-mx,-my,-mz) (-x+1,-y,z;mx,my,-mz) (-x+1,y,z;-mx,my,mz) (x+1,-y,z;mx,-my,mz) 8e (1/2,y,z;0,my,mz) (-1/2,-y,z;0,-my,mz) (-1/2,y,z;0,-my,-mz) (1/2,-y,z;0,my,-mz) 8d (0,y,z;mx,0,0) (0,-y,z;-mx,0,0) (1,y,z;-mx,0,0) (1,-y,z;mx,0,0) 8c (x,0,z;0,my,0) (-x,0,z;0,-my,0) (x+1,0,z;0,-my,0) (-x+1,0,z;0,my,0) 4b (1/2,0,z;0,my,0) (-1/2,0,z;0,-my,0) 4a (0,0,z;0,0,0) (1,0,z;0,0,0) ---------- UNI: 38.193 Amm2.1'_b[Pmm2] BNS: 38.193 A_bmm2 OG: 25.8.162 P_Amm2 OG-BNS transformation: (0,0,0;a,2b,2c) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) (1|0,0,1/2)' (2z|0,0,1/2)' (mx|0,0,1/2)' (my|0,0,1/2)' Wyckoff positions (BNS): (0,0,0)+ (0,1/2,1/2)+ 16i (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,z+1/2;-mx,-my,-mz) (-x,-y,z+1/2;mx,my,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) 8h (1/2,y,z;mx,0,0) (1/2,-y,z;-mx,0,0) (1/2,y,z+1/2;-mx,0,0) (1/2,-y,z+1/2;mx,0,0) 8g (0,y,z;mx,0,0) (0,-y,z;-mx,0,0) (0,y,z+1/2;-mx,0,0) (0,-y,z+1/2;mx,0,0) 8f (x,1/4,z;mx,0,mz) (-x,3/4,z;-mx,0,mz) (-x,1/4,z;mx,0,-mz) (x,3/4,z;-mx,0,-mz) 8e (x,0,z;0,my,0) (-x,0,z;0,-my,0) (x,0,z+1/2;0,-my,0) (-x,0,z+1/2;0,my,0) 4d (1/2,1/4,z;mx,0,0) (1/2,3/4,z;-mx,0,0) 4c (1/2,0,z;0,0,0) (1/2,0,z+1/2;0,0,0) 4b (0,1/4,z;mx,0,0) (0,3/4,z;-mx,0,0) 4a (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) (1|0,0,1)' (2z|0,0,1)' (mx|0,0,1)' (my|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,2,0)+ (0,0,2)+ (0,1,1)+ 16i (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,z+1;-mx,-my,-mz) (-x,-y,z+1;mx,my,-mz) (-x,y,z+1;-mx,my,mz) (x,-y,z+1;mx,-my,mz) 8h (1/2,y,z;mx,0,0) (-1/2,-y,z;-mx,0,0) (1/2,y,z+1;-mx,0,0) (-1/2,-y,z+1;mx,0,0) 8g (0,y,z;mx,0,0) (0,-y,z;-mx,0,0) (0,y,z+1;-mx,0,0) (0,-y,z+1;mx,0,0) 8f (x,1/2,z;mx,0,mz) (-x,-1/2,z;-mx,0,mz) (-x,1/2,z;mx,0,-mz) (x,-1/2,z;-mx,0,-mz) 8e (x,0,z;0,my,0) (-x,0,z;0,-my,0) (x,0,z+1;0,-my,0) (-x,0,z+1;0,my,0) 4d (1/2,1/2,z;mx,0,0) (-1/2,-1/2,z;-mx,0,0) 4c (1/2,0,z;0,0,0) (1/2,0,z+1;0,0,0) 4b (0,1/2,z;mx,0,0) (0,-1/2,z;-mx,0,0) 4a (0,0,z;0,0,0) (0,0,z+1;0,0,0) ---------- UNI: 38.194 Amm2.1'_B[Fmm2] BNS: 38.194 A_Bmm2 OG: 42.6.314 F_Amm2 OG-BNS transformation: (0,0,0;a,b,c) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) (1|1/2,1/2,0)' (2z|1/2,0,1/2)' (mx|1/2,0,1/2)' (my|1/2,0,1/2)' Wyckoff positions (BNS): (0,0,0)+ (0,1/2,1/2)+ 16e (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) 8d (x,0,z;0,my,0) (-x,0,z;0,-my,0) (x+1/2,1/2,z;0,-my,0) (-x+1/2,0,z+1/2;0,my,0) 8c (0,y,z;mx,0,0) (0,-y,z;-mx,0,0) (1/2,y+1/2,z;-mx,0,0) (1/2,-y,z+1/2;mx,0,0) 8b (1/4,1/4,z;mx,my,0) (3/4,3/4,z;-mx,-my,0) (3/4,1/4,z;mx,-my,0) (1/4,3/4,z;-mx,my,0) 4a (0,0,z;0,0,0) (1/2,1/2,z;0,0,0) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) (1|1/2,0,1/2)' (2z|1/2,0,1/2)' (mx|1/2,0,1/2)' (my|1/2,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (0,1/2,1/2)+ 16e (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x+1/2,y,z+1/2;-mx,-my,-mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) 8d (x,0,z;0,my,0) (-x,0,z;0,-my,0) (x+1/2,0,z+1/2;0,-my,0) (-x+1/2,0,z+1/2;0,my,0) 8c (0,y,z;mx,0,0) (0,-y,z;-mx,0,0) (1/2,y,z+1/2;-mx,0,0) (1/2,-y,z+1/2;mx,0,0) 8b (1/4,1/4,z;mx,my,0) (-1/4,-1/4,z;-mx,-my,0) (-1/4,1/4,z;mx,-my,0) (1/4,-1/4,z;-mx,my,0) 4a (0,0,z;0,0,0) (1/2,0,z+1/2;0,0,0) ---------- UNI: 39.195 Abm2.1 BNS: 39.195 Abm2 OG: 39.1.278 Abm2 Operators: (1|0,0,0) (2z|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) Wyckoff positions: (0,0,0)+ (0,1/2,1/2)+ 8d (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) 4c (x,1/4,z;0,my,0) (-x,3/4,z;0,-my,0) 4b (1/2,0,z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) 4a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) ---------- UNI: 39.196 Abm2.1' BNS: 39.196 Abm21' OG: 39.2.279 Abm21' Operators: (1|0,0,0) (2z|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (1|0,0,0)' (2z|0,0,0)' (mx|0,0,1/2)' (my|0,0,1/2)' Wyckoff positions: (0,0,0)+ (0,1/2,1/2)+ 8d (x,y,z;0,0,0) (-x,-y,z;0,0,0) (-x,y,z+1/2;0,0,0) (x,-y,z+1/2;0,0,0) 4c (x,1/4,z;0,0,0) (-x,3/4,z;0,0,0) 4b (1/2,0,z;0,0,0) (1/2,0,z+1/2;0,0,0) 4a (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) ---------- UNI: 39.197 Ab'm2' BNS: 39.197 Ab'm2' OG: 39.3.280 Ab'm2' Operators: (1|0,0,0) (2z|0,0,0)' (mx|0,0,1/2)' (my|0,0,1/2) Wyckoff positions: (0,0,0)+ (0,1/2,1/2)+ 8d (x,y,z;mx,my,mz) (-x,-y,z;mx,my,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) 4c (x,1/4,z;0,my,0) (-x,3/4,z;0,my,0) 4b (1/2,0,z;mx,my,0) (1/2,0,z+1/2;-mx,my,0) 4a (0,0,z;mx,my,0) (0,0,z+1/2;-mx,my,0) ---------- UNI: 39.198 Abm'2' BNS: 39.198 Abm'2' OG: 39.4.281 Abm'2' Operators: (1|0,0,0) (2z|0,0,0)' (mx|0,0,1/2) (my|0,0,1/2)' Wyckoff positions: (0,0,0)+ (0,1/2,1/2)+ 8d (x,y,z;mx,my,mz) (-x,-y,z;mx,my,-mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;mx,-my,mz) 4c (x,1/4,z;mx,0,mz) (-x,1/4,z+1/2;mx,0,-mz) 4b (1/2,0,z;mx,my,0) (1/2,0,z+1/2;mx,-my,0) 4a (0,0,z;mx,my,0) (0,0,z+1/2;mx,-my,0) ---------- UNI: 39.199 Ab'm'2 BNS: 39.199 Ab'm'2 OG: 39.5.282 Ab'm'2 Operators: (1|0,0,0) (2z|0,0,0) (mx|0,0,1/2)' (my|0,0,1/2)' Wyckoff positions: (0,0,0)+ (0,1/2,1/2)+ 8d (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) 4c (x,1/4,z;mx,0,mz) (-x,3/4,z;-mx,0,mz) 4b (1/2,0,z;0,0,mz) (1/2,0,z+1/2;0,0,mz) 4a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,mz) ---------- UNI: 39.200 Abm2.1'_a[Abm2] BNS: 39.200 A_abm2 OG: 39.6.283 A_2abm2 OG-BNS transformation: (0,0,0;2a,b,c) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (1|1/2,0,0)' (2z|1/2,0,0)' (mx|1/2,0,1/2)' (my|1/2,0,1/2)' Wyckoff positions (BNS): (0,0,0)+ (0,1/2,1/2)+ 16d (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y,z;-mx,-my,-mz) (-x+1/2,-y,z;mx,my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) 8c (x,1/4,z;0,my,0) (-x,3/4,z;0,-my,0) (x+1/2,1/4,z;0,-my,0) (-x+1/2,3/4,z;0,my,0) 8b (1/4,0,z;mx,my,0) (3/4,0,z;-mx,-my,0) (3/4,0,z+1/2;mx,-my,0) (1/4,0,z+1/2;-mx,my,0) 8a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) (1/2,0,z;0,0,-mz) (1/2,0,z+1/2;0,0,mz) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (1|1,0,0)' (2z|1,0,0)' (mx|1,0,1/2)' (my|1,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,1,0)+ (0,0,1)+ (0,1/2,1/2)+ 16d (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1,y,z;-mx,-my,-mz) (-x+1,-y,z;mx,my,-mz) (-x+1,y,z+1/2;-mx,my,mz) (x+1,-y,z+1/2;mx,-my,mz) 8c (x,1/4,z;0,my,0) (-x,-1/4,z;0,-my,0) (x+1,1/4,z;0,-my,0) (-x+1,-1/4,z;0,my,0) 8b (1/2,0,z;mx,my,0) (-1/2,0,z;-mx,-my,0) (-1/2,0,z+1/2;mx,-my,0) (1/2,0,z+1/2;-mx,my,0) 8a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) (1,0,z;0,0,-mz) (1,0,z+1/2;0,0,mz) ---------- UNI: 39.201 Abm2.1'_b[Pmm2] BNS: 39.201 A_bbm2 OG: 25.13.167 P_Am'm'2 OG-BNS transformation: (0,0,0;a,2b,2c) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (1|0,0,1/2)' (2z|0,0,1/2)' (mx|0,0,0)' (my|0,0,0)' Wyckoff positions (BNS): (0,0,0)+ (0,1/2,1/2)+ 16i (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,z+1/2;-mx,-my,-mz) (-x,-y,z+1/2;mx,my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) 8h (1/2,y,z;0,my,mz) (1/2,-y,z;0,-my,mz) (1/2,y,z+1/2;0,-my,-mz) (1/2,-y,z+1/2;0,my,-mz) 8g (0,y,z;0,my,mz) (0,-y,z;0,-my,mz) (0,y,z+1/2;0,-my,-mz) (0,-y,z+1/2;0,my,-mz) 8f (x,1/4,z;0,my,0) (-x,3/4,z;0,-my,0) (x,1/4,z+1/2;0,-my,0) (-x,3/4,z+1/2;0,my,0) 8e (x,0,z;mx,0,mz) (-x,0,z;-mx,0,mz) (-x,0,z+1/2;mx,0,-mz) (x,0,z+1/2;-mx,0,-mz) 4d (1/2,1/4,z;0,my,0) (1/2,3/4,z;0,-my,0) 4c (1/2,0,z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) 4b (0,1/4,z;0,my,0) (0,3/4,z;0,-my,0) 4a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|0,0,1) (my|0,0,1) (1|0,0,1)' (2z|0,0,1)' (mx|0,0,0)' (my|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,2,0)+ (0,0,2)+ (0,1,1)+ 16i (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1;mx,-my,-mz) (x,-y,z+1;-mx,my,-mz) (x,y,z+1;-mx,-my,-mz) (-x,-y,z+1;mx,my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) 8h (1/2,y,z;0,my,mz) (-1/2,-y,z;0,-my,mz) (-1/2,y,z+1;0,-my,-mz) (1/2,-y,z+1;0,my,-mz) 8g (0,y,z;0,my,mz) (0,-y,z;0,-my,mz) (0,y,z+1;0,-my,-mz) (0,-y,z+1;0,my,-mz) 8f (x,1/2,z;0,my,0) (-x,-1/2,z;0,-my,0) (x,1/2,z+1;0,-my,0) (-x,-1/2,z+1;0,my,0) 8e (x,0,z;mx,0,mz) (-x,0,z;-mx,0,mz) (-x,0,z+1;mx,0,-mz) (x,0,z+1;-mx,0,-mz) 4d (1/2,1/2,z;0,my,0) (-1/2,-1/2,z;0,-my,0) 4c (1/2,0,z;0,0,mz) (1/2,0,z+1;0,0,-mz) 4b (0,1/2,z;0,my,0) (0,-1/2,z;0,-my,0) 4a (0,0,z;0,0,mz) (0,0,z+1;0,0,-mz) ---------- UNI: 39.202 Abm2.1'_B[Fmm2] BNS: 39.202 A_Bbm2 OG: 42.9.317 F_Am'm2' OG-BNS transformation: (1/4,1/4,0;a,b,c) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (1|1/2,1/2,0)' (2z|1/2,0,1/2)' (mx|1/2,0,0)' (my|1/2,0,0)' Wyckoff positions (BNS): (0,0,0)+ (0,1/2,1/2)+ 16e (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x+1/2,y,z;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) 8d (x,3/4,z;0,my,0) (-x,1/4,z;0,-my,0) (x+1/2,1/4,z;0,-my,0) (-x+1/2,1/4,z+1/2;0,my,0) 8c (3/4,y,z;0,my,mz) (1/4,-y,z;0,-my,mz) (1/4,y,z+1/2;0,-my,-mz) (3/4,-y,z+1/2;0,my,-mz) 8b (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) (1/2,1/2,z;0,0,-mz) (1/2,0,z;0,0,mz) 4a (3/4,3/4,z;0,my,0) (1/4,1/4,z;0,-my,0) Operators (OG): (1|0,0,0) (2z|1/2,0,1/2) (mx|1/2,0,1/2) (my|0,0,0) (1|1/2,0,1/2)' (2z|0,0,0)' (mx|0,0,0)' (my|1/2,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (0,1/2,1/2)+ 16e (x,y,z;mx,my,mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x+1/2,y,z+1/2;-mx,-my,-mz) (-x,-y,z;mx,my,-mz) (-x,y,z;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) 8d (x,0,z;0,my,0) (-x+1/2,0,z+1/2;0,-my,0) (x+1/2,0,z+1/2;0,-my,0) (-x,0,z;0,my,0) 8c (0,y,z;0,my,mz) (1/2,-y,z+1/2;0,-my,mz) (1/2,y,z+1/2;0,-my,-mz) (0,-y,z;0,my,-mz) 8b (1/4,1/4,z;0,0,mz) (1/4,-1/4,z;0,0,-mz) (3/4,1/4,z+1/2;0,0,-mz) (3/4,-1/4,z+1/2;0,0,mz) 4a (0,0,z;0,my,0) (1/2,0,z+1/2;0,-my,0) ---------- UNI: 40.203 Ama2.1 BNS: 40.203 Ama2 OG: 40.1.291 Ama2 Operators: (1|0,0,0) (2z|0,0,0) (mx|1/2,0,0) (my|1/2,0,0) Wyckoff positions: (0,0,0)+ (0,1/2,1/2)+ 8c (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y,z;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) 4b (1/4,y,z;mx,0,0) (3/4,-y,z;-mx,0,0) 4a (0,0,z;0,0,mz) (1/2,0,z;0,0,-mz) ---------- UNI: 40.204 Ama2.1' BNS: 40.204 Ama21' OG: 40.2.292 Ama21' Operators: (1|0,0,0) (2z|0,0,0) (mx|1/2,0,0) (my|1/2,0,0) (1|0,0,0)' (2z|0,0,0)' (mx|1/2,0,0)' (my|1/2,0,0)' Wyckoff positions: (0,0,0)+ (0,1/2,1/2)+ 8c (x,y,z;0,0,0) (-x,-y,z;0,0,0) (-x+1/2,y,z;0,0,0) (x+1/2,-y,z;0,0,0) 4b (1/4,y,z;0,0,0) (3/4,-y,z;0,0,0) 4a (0,0,z;0,0,0) (1/2,0,z;0,0,0) ---------- UNI: 40.205 Am'a2' BNS: 40.205 Am'a2' OG: 40.3.293 Am'a2' Operators: (1|0,0,0) (2z|0,0,0)' (mx|1/2,0,0)' (my|1/2,0,0) Wyckoff positions: (0,0,0)+ (0,1/2,1/2)+ 8c (x,y,z;mx,my,mz) (-x,-y,z;mx,my,-mz) (-x+1/2,y,z;-mx,my,mz) (x+1/2,-y,z;-mx,my,-mz) 4b (1/4,y,z;0,my,mz) (3/4,-y,z;0,my,-mz) 4a (0,0,z;mx,my,0) (1/2,0,z;-mx,my,0) ---------- UNI: 40.206 Ama'2' BNS: 40.206 Ama'2' OG: 40.4.294 Ama'2' Operators: (1|0,0,0) (2z|0,0,0)' (mx|1/2,0,0) (my|1/2,0,0)' Wyckoff positions: (0,0,0)+ (0,1/2,1/2)+ 8c (x,y,z;mx,my,mz) (-x,-y,z;mx,my,-mz) (-x+1/2,y,z;mx,-my,-mz) (x+1/2,-y,z;mx,-my,mz) 4b (1/4,y,z;mx,0,0) (3/4,-y,z;mx,0,0) 4a (0,0,z;mx,my,0) (1/2,0,z;mx,-my,0) ---------- UNI: 40.207 Am'a'2 BNS: 40.207 Am'a'2 OG: 40.5.295 Am'a'2 Operators: (1|0,0,0) (2z|0,0,0) (mx|1/2,0,0)' (my|1/2,0,0)' Wyckoff positions: (0,0,0)+ (0,1/2,1/2)+ 8c (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y,z;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) 4b (1/4,y,z;0,my,mz) (3/4,-y,z;0,-my,mz) 4a (0,0,z;0,0,mz) (1/2,0,z;0,0,mz) ---------- UNI: 40.208 Ama2.1'_a[Amm2] BNS: 40.208 A_ama2 OG: 38.9.273 A_2amm'2' OG-BNS transformation: (1/2,0,0;2a,b,c) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|1/2,0,0) (my|1/2,0,0) (1|1/2,0,0)' (2z|1/2,0,0)' (mx|0,0,0)' (my|0,0,0)' Wyckoff positions (BNS): (0,0,0)+ (0,1/2,1/2)+ 16f (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y,z;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x+1/2,y,z;-mx,-my,-mz) (-x+1/2,-y,z;mx,my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) 8e (0,y,z;0,my,mz) (0,-y,z;0,-my,mz) (1/2,y,z;0,-my,-mz) (1/2,-y,z;0,my,-mz) 8d (3/4,y,z;mx,0,0) (1/4,-y,z;-mx,0,0) (1/4,y,z;-mx,0,0) (3/4,-y,z;mx,0,0) 8c (x,0,z;mx,0,mz) (-x,0,z;-mx,0,mz) (-x+1/2,0,z;mx,0,-mz) (x+1/2,0,z;-mx,0,-mz) 4b (0,0,z;0,0,mz) (1/2,0,z;0,0,-mz) 4a (3/4,0,z;mx,0,0) (1/4,0,z;-mx,0,0) Operators (OG): (1|0,0,0) (2z|1,0,0) (mx|0,0,0) (my|1,0,0) (1|1,0,0)' (2z|0,0,0)' (mx|1,0,0)' (my|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,1,0)+ (0,0,1)+ (0,1/2,1/2)+ 16f (x,y,z;mx,my,mz) (-x+1,-y,z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x+1,-y,z;-mx,my,-mz) (x+1,y,z;-mx,-my,-mz) (-x,-y,z;mx,my,-mz) (-x+1,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) 8e (1/2,y,z;0,my,mz) (1/2,-y,z;0,-my,mz) (-1/2,y,z;0,-my,-mz) (3/2,-y,z;0,my,-mz) 8d (0,y,z;mx,0,0) (1,-y,z;-mx,0,0) (1,y,z;-mx,0,0) (0,-y,z;mx,0,0) 8c (x,0,z;mx,0,mz) (-x+1,0,z;-mx,0,mz) (-x,0,z;mx,0,-mz) (x+1,0,z;-mx,0,-mz) 4b (1/2,0,z;0,0,mz) (3/2,0,z;0,0,-mz) 4a (0,0,z;mx,0,0) (1,0,z;-mx,0,0) ---------- UNI: 40.209 Ama2.1'_b[Pma2] BNS: 40.209 A_bma2 OG: 28.8.192 P_Ama2 OG-BNS transformation: (0,0,0;a,2b,2c) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|1/2,0,0) (my|1/2,0,0) (1|0,0,1/2)' (2z|0,0,1/2)' (mx|1/2,0,1/2)' (my|1/2,0,1/2)' Wyckoff positions (BNS): (0,0,0)+ (0,1/2,1/2)+ 16d (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y,z;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x,y,z+1/2;-mx,-my,-mz) (-x,-y,z+1/2;mx,my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) 8c (1/4,y,z;mx,0,0) (3/4,-y,z;-mx,0,0) (1/4,y,z+1/2;-mx,0,0) (3/4,-y,z+1/2;mx,0,0) 8b (0,1/4,z;mx,my,0) (0,3/4,z;-mx,-my,0) (1/2,1/4,z;mx,-my,0) (1/2,3/4,z;-mx,my,0) 8a (0,0,z;0,0,mz) (1/2,0,z;0,0,-mz) (0,0,z+1/2;0,0,-mz) (1/2,0,z+1/2;0,0,mz) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|1/2,0,0) (my|1/2,0,0) (1|0,0,1)' (2z|0,0,1)' (mx|1/2,0,1)' (my|1/2,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,2,0)+ (0,0,2)+ (0,1,1)+ 16d (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y,z;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x,y,z+1;-mx,-my,-mz) (-x,-y,z+1;mx,my,-mz) (-x+1/2,y,z+1;-mx,my,mz) (x+1/2,-y,z+1;mx,-my,mz) 8c (1/4,y,z;mx,0,0) (-1/4,-y,z;-mx,0,0) (1/4,y,z+1;-mx,0,0) (-1/4,-y,z+1;mx,0,0) 8b (0,1/2,z;mx,my,0) (0,-1/2,z;-mx,-my,0) (1/2,1/2,z;mx,-my,0) (1/2,-1/2,z;-mx,my,0) 8a (0,0,z;0,0,mz) (1/2,0,z;0,0,-mz) (0,0,z+1;0,0,-mz) (1/2,0,z+1;0,0,mz) ---------- UNI: 40.210 Ama2.1'_B[Fmm2] BNS: 40.210 A_Bma2 OG: 42.10.318 F_Amm'2' OG-BNS transformation: (1/4,1/4,0;a,b,c) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|1/2,0,0) (my|1/2,0,0) (1|1/2,1/2,0)' (2z|1/2,0,1/2)' (mx|0,0,1/2)' (my|0,0,1/2)' Wyckoff positions (BNS): (0,0,0)+ (0,1/2,1/2)+ 16e (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y,z;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) 8d (x,3/4,z;mx,0,mz) (-x,1/4,z;-mx,0,mz) (-x+1/2,3/4,z;mx,0,-mz) (x+1/2,1/4,z;-mx,0,-mz) 8c (3/4,y,z;mx,0,0) (1/4,-y,z;-mx,0,0) (1/4,y+1/2,z;-mx,0,0) (3/4,-y,z+1/2;mx,0,0) 8b (0,0,z;0,0,mz) (1/2,0,z;0,0,-mz) (1/2,1/2,z;0,0,-mz) (0,0,z+1/2;0,0,mz) 4a (3/4,3/4,z;mx,0,0) (1/4,1/4,z;-mx,0,0) Operators (OG): (1|0,0,0) (2z|1/2,0,1/2) (mx|0,0,0) (my|1/2,0,1/2) (1|1/2,0,1/2)' (2z|0,0,0)' (mx|1/2,0,1/2)' (my|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (0,1/2,1/2)+ 16e (x,y,z;mx,my,mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y,z+1/2;-mx,-my,-mz) (-x,-y,z;mx,my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x,-y,z;mx,-my,mz) 8d (x,0,z;mx,0,mz) (-x+1/2,0,z+1/2;-mx,0,mz) (-x,0,z;mx,0,-mz) (x+1/2,0,z+1/2;-mx,0,-mz) 8c (0,y,z;mx,0,0) (1/2,-y,z+1/2;-mx,0,0) (1/2,y,z+1/2;-mx,0,0) (0,-y,z;mx,0,0) 8b (1/4,1/4,z;0,0,mz) (3/4,-1/4,z+1/2;0,0,-mz) (3/4,1/4,z+1/2;0,0,-mz) (1/4,-1/4,z;0,0,mz) 4a (0,0,z;mx,0,0) (1/2,0,z+1/2;-mx,0,0) ---------- UNI: 41.211 Aba2.1 BNS: 41.211 Aba2 OG: 41.1.300 Aba2 Operators: (1|0,0,0) (2z|0,0,0) (mx|1/2,0,1/2) (my|1/2,0,1/2) Wyckoff positions: (0,0,0)+ (0,1/2,1/2)+ 8b (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) 4a (0,0,z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) ---------- UNI: 41.212 Aba2.1' BNS: 41.212 Aba21' OG: 41.2.301 Aba21' Operators: (1|0,0,0) (2z|0,0,0) (mx|1/2,0,1/2) (my|1/2,0,1/2) (1|0,0,0)' (2z|0,0,0)' (mx|1/2,0,1/2)' (my|1/2,0,1/2)' Wyckoff positions: (0,0,0)+ (0,1/2,1/2)+ 8b (x,y,z;0,0,0) (-x,-y,z;0,0,0) (-x+1/2,y,z+1/2;0,0,0) (x+1/2,-y,z+1/2;0,0,0) 4a (0,0,z;0,0,0) (1/2,0,z+1/2;0,0,0) ---------- UNI: 41.213 Ab'a2' BNS: 41.213 Ab'a2' OG: 41.3.302 Ab'a2' Operators: (1|0,0,0) (2z|0,0,0)' (mx|1/2,0,1/2)' (my|1/2,0,1/2) Wyckoff positions: (0,0,0)+ (0,1/2,1/2)+ 8b (x,y,z;mx,my,mz) (-x,-y,z;mx,my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x+1/2,-y,z+1/2;-mx,my,-mz) 4a (0,0,z;mx,my,0) (1/2,0,z+1/2;-mx,my,0) ---------- UNI: 41.214 Aba'2' BNS: 41.214 Aba'2' OG: 41.4.303 Aba'2' Operators: (1|0,0,0) (2z|0,0,0)' (mx|1/2,0,1/2) (my|1/2,0,1/2)' Wyckoff positions: (0,0,0)+ (0,1/2,1/2)+ 8b (x,y,z;mx,my,mz) (-x,-y,z;mx,my,-mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x+1/2,-y,z+1/2;mx,-my,mz) 4a (0,0,z;mx,my,0) (1/2,0,z+1/2;mx,-my,0) ---------- UNI: 41.215 Ab'a'2 BNS: 41.215 Ab'a'2 OG: 41.5.304 Ab'a'2 Operators: (1|0,0,0) (2z|0,0,0) (mx|1/2,0,1/2)' (my|1/2,0,1/2)' Wyckoff positions: (0,0,0)+ (0,1/2,1/2)+ 8b (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) 4a (0,0,z;0,0,mz) (1/2,0,z+1/2;0,0,mz) ---------- UNI: 41.216 Aba2.1'_a[Abm2] BNS: 41.216 A_aba2 OG: 39.9.286 A_2ab'm'2 OG-BNS transformation: (0,0,0;2a,b,c) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|1/2,0,1/2) (my|1/2,0,1/2) (1|1/2,0,0)' (2z|1/2,0,0)' (mx|0,0,1/2)' (my|0,0,1/2)' Wyckoff positions (BNS): (0,0,0)+ (0,1/2,1/2)+ 16d (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y,z;-mx,-my,-mz) (-x+1/2,-y,z;mx,my,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) 8c (x,1/4,z;mx,0,mz) (-x,3/4,z;-mx,0,mz) (-x+1/2,1/4,z+1/2;mx,0,-mz) (x+1/2,3/4,z+1/2;-mx,0,-mz) 8b (1/4,0,z;mx,my,0) (3/4,0,z;-mx,-my,0) (1/4,0,z+1/2;mx,-my,0) (3/4,0,z+1/2;-mx,my,0) 8a (0,0,z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) (1/2,0,z;0,0,-mz) (0,0,z+1/2;0,0,mz) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|1,0,1/2) (my|1,0,1/2) (1|1,0,0)' (2z|1,0,0)' (mx|0,0,1/2)' (my|0,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,1,0)+ (0,0,1)+ (0,1/2,1/2)+ 16d (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1,y,z+1/2;mx,-my,-mz) (x+1,-y,z+1/2;-mx,my,-mz) (x+1,y,z;-mx,-my,-mz) (-x+1,-y,z;mx,my,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) 8c (x,1/4,z;mx,0,mz) (-x,-1/4,z;-mx,0,mz) (-x+1,1/4,z+1/2;mx,0,-mz) (x+1,-1/4,z+1/2;-mx,0,-mz) 8b (1/2,0,z;mx,my,0) (-1/2,0,z;-mx,-my,0) (1/2,0,z+1/2;mx,-my,0) (3/2,0,z+1/2;-mx,my,0) 8a (0,0,z;0,0,mz) (1,0,z+1/2;0,0,-mz) (1,0,z;0,0,-mz) (0,0,z+1/2;0,0,mz) ---------- UNI: 41.217 Aba2.1'_b[Pma2] BNS: 41.217 A_bba2 OG: 28.13.197 P_Am'a'2 OG-BNS transformation: (0,0,0;a,2b,2c) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|1/2,0,1/2) (my|1/2,0,1/2) (1|0,0,1/2)' (2z|0,0,1/2)' (mx|1/2,0,0)' (my|1/2,0,0)' Wyckoff positions (BNS): (0,0,0)+ (0,1/2,1/2)+ 16d (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x,y,z+1/2;-mx,-my,-mz) (-x,-y,z+1/2;mx,my,-mz) (-x+1/2,y,z;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) 8c (1/4,y,z;0,my,mz) (3/4,-y,z;0,-my,mz) (1/4,y,z+1/2;0,-my,-mz) (3/4,-y,z+1/2;0,my,-mz) 8b (0,1/4,z;mx,my,0) (0,3/4,z;-mx,-my,0) (1/2,1/4,z+1/2;mx,-my,0) (1/2,3/4,z+1/2;-mx,my,0) 8a (0,0,z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) (0,0,z+1/2;0,0,-mz) (1/2,0,z;0,0,mz) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|1/2,0,1) (my|1/2,0,1) (1|0,0,1)' (2z|0,0,1)' (mx|1/2,0,0)' (my|1/2,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,2,0)+ (0,0,2)+ (0,1,1)+ 16d (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y,z+1;mx,-my,-mz) (x+1/2,-y,z+1;-mx,my,-mz) (x,y,z+1;-mx,-my,-mz) (-x,-y,z+1;mx,my,-mz) (-x+1/2,y,z;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) 8c (1/4,y,z;0,my,mz) (-1/4,-y,z;0,-my,mz) (1/4,y,z+1;0,-my,-mz) (3/4,-y,z+1;0,my,-mz) 8b (0,1/2,z;mx,my,0) (0,-1/2,z;-mx,-my,0) (1/2,1/2,z+1;mx,-my,0) (1/2,-1/2,z+1;-mx,my,0) 8a (0,0,z;0,0,mz) (1/2,0,z+1;0,0,-mz) (0,0,z+1;0,0,-mz) (1/2,0,z;0,0,mz) ---------- UNI: 41.218 Aba2.1'_B[Fmm2] BNS: 41.218 A_Bba2 OG: 42.11.319 F_Am'm'2 OG-BNS transformation: (0,0,0;a,b,c) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|1/2,0,1/2) (my|1/2,0,1/2) (1|1/2,1/2,0)' (2z|1/2,0,1/2)' (mx|0,0,0)' (my|0,0,0)' Wyckoff positions (BNS): (0,0,0)+ (0,1/2,1/2)+ 16e (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) 8d (x,0,z;mx,0,mz) (-x,0,z;-mx,0,mz) (-x+1/2,0,z+1/2;mx,0,-mz) (x+1/2,0,z+1/2;-mx,0,-mz) 8c (0,y,z;0,my,mz) (0,-y,z;0,-my,mz) (1/2,y,z+1/2;0,-my,-mz) (1/2,-y,z+1/2;0,my,-mz) 8b (1/4,1/4,z;mx,my,0) (3/4,3/4,z;-mx,-my,0) (1/4,1/4,z+1/2;mx,-my,0) (3/4,3/4,z+1/2;-mx,my,0) 4a (0,0,z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|1/2,0,1/2) (my|1/2,0,1/2) (1|1/2,0,1/2)' (2z|1/2,0,1/2)' (mx|0,0,0)' (my|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (0,1/2,1/2)+ 16e (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y,z+1/2;-mx,-my,-mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) 8d (x,0,z;mx,0,mz) (-x,0,z;-mx,0,mz) (-x+1/2,0,z+1/2;mx,0,-mz) (x+1/2,0,z+1/2;-mx,0,-mz) 8c (0,y,z;0,my,mz) (0,-y,z;0,-my,mz) (1/2,y,z+1/2;0,-my,-mz) (1/2,-y,z+1/2;0,my,-mz) 8b (1/4,1/4,z;mx,my,0) (-1/4,-1/4,z;-mx,-my,0) (1/4,1/4,z+1/2;mx,-my,0) (3/4,-1/4,z+1/2;-mx,my,0) 4a (0,0,z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) ---------- UNI: 42.219 Fmm2.1 BNS: 42.219 Fmm2 OG: 42.1.309 Fmm2 Operators: (1|0,0,0) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) Wyckoff positions: (0,0,0)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 16e (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) 8d (x,0,z;0,my,0) (-x,0,z;0,-my,0) 8c (0,y,z;mx,0,0) (0,-y,z;-mx,0,0) 8b (1/4,1/4,z;0,0,mz) (3/4,1/4,z;0,0,-mz) 4a (0,0,z;0,0,0) ---------- UNI: 42.220 Fmm2.1' BNS: 42.220 Fmm21' OG: 42.2.310 Fmm21' Operators: (1|0,0,0) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) (1|0,0,0)' (2z|0,0,0)' (mx|0,0,0)' (my|0,0,0)' Wyckoff positions: (0,0,0)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 16e (x,y,z;0,0,0) (-x,-y,z;0,0,0) (-x,y,z;0,0,0) (x,-y,z;0,0,0) 8d (x,0,z;0,0,0) (-x,0,z;0,0,0) 8c (0,y,z;0,0,0) (0,-y,z;0,0,0) 8b (1/4,1/4,z;0,0,0) (3/4,1/4,z;0,0,0) 4a (0,0,z;0,0,0) ---------- UNI: 42.221 Fm'm2' BNS: 42.221 Fm'm2' OG: 42.3.311 Fm'm2' Operators: (1|0,0,0) (2z|0,0,0)' (mx|0,0,0)' (my|0,0,0) Wyckoff positions: (0,0,0)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 16e (x,y,z;mx,my,mz) (-x,-y,z;mx,my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;-mx,my,-mz) 8d (x,0,z;0,my,0) (-x,0,z;0,my,0) 8c (0,y,z;0,my,mz) (0,-y,z;0,my,-mz) 8b (1/4,1/4,z;mx,my,0) (1/4,3/4,z;-mx,my,0) 4a (0,0,z;0,my,0) ---------- UNI: 42.222 Fm'm'2 BNS: 42.222 Fm'm'2 OG: 42.4.312 Fm'm'2 Operators: (1|0,0,0) (2z|0,0,0) (mx|0,0,0)' (my|0,0,0)' Wyckoff positions: (0,0,0)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 16e (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) 8d (x,0,z;mx,0,mz) (-x,0,z;-mx,0,mz) 8c (0,y,z;0,my,mz) (0,-y,z;0,-my,mz) 8b (1/4,1/4,z;0,0,mz) (3/4,1/4,z;0,0,mz) 4a (0,0,z;0,0,mz) ---------- UNI: 42.223 Fmm2.1'_I[Pmm2] BNS: 42.223 F_Smm2 OG: 25.9.163 P_Fmm2 OG-BNS transformation: (0,0,0;2a,2b,2c) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) (1|0,0,1/2)' (2z|1/2,1/2,1/2)' (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2)' Wyckoff positions (BNS): (0,0,0)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 32i (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,z+1/2;-mx,-my,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) 16h (1/4,y,z;0,my,mz) (3/4,-y,z;0,-my,mz) (3/4,y,z;0,-my,-mz) (1/4,-y,z;0,my,-mz) 16g (0,y,z;mx,0,0) (0,-y,z;-mx,0,0) (0,y,z+1/2;-mx,0,0) (1/2,-y+1/2,z+1/2;mx,0,0) 16f (x,1/4,z;mx,0,mz) (-x,3/4,z;-mx,0,mz) (-x,1/4,z;mx,0,-mz) (x,3/4,z;-mx,0,-mz) 16e (x,0,z;0,my,0) (-x,0,z;0,-my,0) (x,0,z+1/2;0,-my,0) (-x+1/2,1/2,z+1/2;0,my,0) 8d (1/4,1/4,z;0,0,mz) (3/4,1/4,z;0,0,-mz) 8c (1/4,0,z;0,my,0) (3/4,0,z;0,-my,0) 8b (0,1/4,z;mx,0,0) (0,3/4,z;-mx,0,0) 8a (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) (1|1,1,1)' (2z|1,1,1)' (mx|1,1,1)' (my|1,1,1)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,2,0)+ (0,0,2)+ (0,1,1)+ (1,0,1)+ (1,1,0)+ 32i (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x+1,y+1,z+1;-mx,-my,-mz) (-x+1,-y+1,z+1;mx,my,-mz) (-x+1,y+1,z+1;-mx,my,mz) (x+1,-y+1,z+1;mx,-my,mz) 16h (1/2,y,z;0,my,mz) (-1/2,-y,z;0,-my,mz) (-1/2,y,z;0,-my,-mz) (1/2,-y,z;0,my,-mz) 16g (0,y,z;mx,0,0) (0,-y,z;-mx,0,0) (1,y+1,z+1;-mx,0,0) (1,-y+1,z+1;mx,0,0) 16f (x,1/2,z;mx,0,mz) (-x,-1/2,z;-mx,0,mz) (-x,1/2,z;mx,0,-mz) (x,-1/2,z;-mx,0,-mz) 16e (x,0,z;0,my,0) (-x,0,z;0,-my,0) (x+1,1,z+1;0,-my,0) (-x+1,1,z+1;0,my,0) 8d (1/2,1/2,z;0,0,mz) (-1/2,1/2,z;0,0,-mz) 8c (1/2,0,z;0,my,0) (-1/2,0,z;0,-my,0) 8b (0,1/2,z;mx,0,0) (0,-1/2,z;-mx,0,0) 8a (0,0,z;0,0,0) (1,1,z+1;0,0,0) ---------- UNI: 43.224 Fdd2.1 BNS: 43.224 Fdd2 OG: 43.1.320 Fdd2 Operators: (1|0,0,0) (2z|0,0,0) (mx|1/4,1/4,1/4) (my|1/4,1/4,1/4) Wyckoff positions: (0,0,0)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 16b (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/4,y+1/4,z+1/4;mx,-my,-mz) (x+1/4,-y+1/4,z+1/4;-mx,my,-mz) 8a (0,0,z;0,0,mz) (1/4,1/4,z+1/4;0,0,-mz) ---------- UNI: 43.225 Fdd2.1' BNS: 43.225 Fdd21' OG: 43.2.321 Fdd21' Operators: (1|0,0,0) (2z|0,0,0) (mx|1/4,1/4,1/4) (my|1/4,1/4,1/4) (1|0,0,0)' (2z|0,0,0)' (mx|1/4,1/4,1/4)' (my|1/4,1/4,1/4)' Wyckoff positions: (0,0,0)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 16b (x,y,z;0,0,0) (-x,-y,z;0,0,0) (-x+1/4,y+1/4,z+1/4;0,0,0) (x+1/4,-y+1/4,z+1/4;0,0,0) 8a (0,0,z;0,0,0) (1/4,1/4,z+1/4;0,0,0) ---------- UNI: 43.226 Fd'd2' BNS: 43.226 Fd'd2' OG: 43.3.322 Fd'd2' Operators: (1|0,0,0) (2z|0,0,0)' (mx|1/4,1/4,1/4)' (my|1/4,1/4,1/4) Wyckoff positions: (0,0,0)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 16b (x,y,z;mx,my,mz) (-x,-y,z;mx,my,-mz) (-x+1/4,y+1/4,z+1/4;-mx,my,mz) (x+1/4,-y+1/4,z+1/4;-mx,my,-mz) 8a (0,0,z;mx,my,0) (1/4,1/4,z+1/4;-mx,my,0) ---------- UNI: 43.227 Fd'd'2 BNS: 43.227 Fd'd'2 OG: 43.4.323 Fd'd'2 Operators: (1|0,0,0) (2z|0,0,0) (mx|1/4,1/4,1/4)' (my|1/4,1/4,1/4)' Wyckoff positions: (0,0,0)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 16b (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/4,y+1/4,z+1/4;-mx,my,mz) (x+1/4,-y+1/4,z+1/4;mx,-my,mz) 8a (0,0,z;0,0,mz) (1/4,1/4,z+1/4;0,0,mz) ---------- UNI: 43.228 Fdd2.1'_I[Pnn2] BNS: 43.228 F_Sdd2 OG: 34.5.235 P_Fnn2 OG-BNS transformation: (0,0,0;2a,2b,2c) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|1/4,1/4,1/4) (my|1/4,1/4,1/4) (1|0,0,1/2)' (2z|1/2,1/2,1/2)' (mx|3/4,3/4,3/4)' (my|3/4,3/4,3/4)' Wyckoff positions (BNS): (0,0,0)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 32c (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/4,y+1/4,z+1/4;mx,-my,-mz) (x+1/4,-y+1/4,z+1/4;-mx,my,-mz) (x,y,z+1/2;-mx,-my,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x+3/4,y+3/4,z+3/4;-mx,my,mz) (x+3/4,-y+3/4,z+3/4;mx,-my,mz) 16b (0,1/4,z;mx,my,0) (0,3/4,z;-mx,-my,0) (1/4,1/2,z+1/4;mx,-my,0) (1/4,0,z+1/4;-mx,my,0) 16a (0,0,z;0,0,mz) (1/4,1/4,z+1/4;0,0,-mz) (0,0,z+1/2;0,0,-mz) (3/4,3/4,z+3/4;0,0,mz) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|1/2,1/2,1/2) (my|1/2,1/2,1/2) (1|1,1,1)' (2z|1,1,1)' (mx|3/2,3/2,3/2)' (my|3/2,3/2,3/2)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,2,0)+ (0,0,2)+ (0,1,1)+ (1,0,1)+ (1,1,0)+ 32c (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x+1,y+1,z+1;-mx,-my,-mz) (-x+1,-y+1,z+1;mx,my,-mz) (-x+3/2,y+3/2,z+3/2;-mx,my,mz) (x+3/2,-y+3/2,z+3/2;mx,-my,mz) 16b (0,1/2,z;mx,my,0) (0,-1/2,z;-mx,-my,0) (1/2,1,z+1/2;mx,-my,0) (1/2,0,z+1/2;-mx,my,0) 16a (0,0,z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) (1,1,z+1;0,0,-mz) (3/2,3/2,z+3/2;0,0,mz) ---------- UNI: 44.229 Imm2.1 BNS: 44.229 Imm2 OG: 44.1.324 Imm2 Operators: (1|0,0,0) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) Wyckoff positions: (0,0,0)+ (1/2,1/2,1/2)+ 8e (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) 4d (0,y,z;mx,0,0) (0,-y,z;-mx,0,0) 4c (x,0,z;0,my,0) (-x,0,z;0,-my,0) 2b (0,1/2,z;0,0,0) 2a (0,0,z;0,0,0) ---------- UNI: 44.230 Imm2.1' BNS: 44.230 Imm21' OG: 44.2.325 Imm21' Operators: (1|0,0,0) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) (1|0,0,0)' (2z|0,0,0)' (mx|0,0,0)' (my|0,0,0)' Wyckoff positions: (0,0,0)+ (1/2,1/2,1/2)+ 8e (x,y,z;0,0,0) (-x,-y,z;0,0,0) (-x,y,z;0,0,0) (x,-y,z;0,0,0) 4d (0,y,z;0,0,0) (0,-y,z;0,0,0) 4c (x,0,z;0,0,0) (-x,0,z;0,0,0) 2b (0,1/2,z;0,0,0) 2a (0,0,z;0,0,0) ---------- UNI: 44.231 Im'm2' BNS: 44.231 Im'm2' OG: 44.3.326 Im'm2' Operators: (1|0,0,0) (2z|0,0,0)' (mx|0,0,0)' (my|0,0,0) Wyckoff positions: (0,0,0)+ (1/2,1/2,1/2)+ 8e (x,y,z;mx,my,mz) (-x,-y,z;mx,my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;-mx,my,-mz) 4d (0,y,z;0,my,mz) (0,-y,z;0,my,-mz) 4c (x,0,z;0,my,0) (-x,0,z;0,my,0) 2b (0,1/2,z;0,my,0) 2a (0,0,z;0,my,0) ---------- UNI: 44.232 Im'm'2 BNS: 44.232 Im'm'2 OG: 44.4.327 Im'm'2 Operators: (1|0,0,0) (2z|0,0,0) (mx|0,0,0)' (my|0,0,0)' Wyckoff positions: (0,0,0)+ (1/2,1/2,1/2)+ 8e (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) 4d (0,y,z;0,my,mz) (0,-y,z;0,-my,mz) 4c (x,0,z;mx,0,mz) (-x,0,z;-mx,0,mz) 2b (0,1/2,z;0,0,mz) 2a (0,0,z;0,0,mz) ---------- UNI: 44.233 Imm2.1'_c[Cmm2] BNS: 44.233 I_cmm2 OG: 35.7.242 C_Imm2 OG-BNS transformation: (0,0,0;a,b,2c) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) (1|0,0,1/2)' (2z|0,0,1/2)' (mx|0,0,1/2)' (my|0,0,1/2)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,1/2)+ 16f (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,z+1/2;-mx,-my,-mz) (-x,-y,z+1/2;mx,my,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) 8e (0,y,z;mx,0,0) (0,-y,z;-mx,0,0) (0,y,z+1/2;-mx,0,0) (0,-y,z+1/2;mx,0,0) 8d (x,0,z;0,my,0) (-x,0,z;0,-my,0) (x,0,z+1/2;0,-my,0) (-x,0,z+1/2;0,my,0) 8c (1/4,1/4,z;mx,my,0) (3/4,3/4,z;-mx,-my,0) (3/4,1/4,z;mx,-my,0) (1/4,3/4,z;-mx,my,0) 4b (0,1/2,z;0,0,0) (0,1/2,z+1/2;0,0,0) 4a (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) (1|0,0,1)' (2z|0,0,1)' (mx|0,0,1)' (my|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ (1/2,1/2,1)+ 16f (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,z+1;-mx,-my,-mz) (-x,-y,z+1;mx,my,-mz) (-x,y,z+1;-mx,my,mz) (x,-y,z+1;mx,-my,mz) 8e (0,y,z;mx,0,0) (0,-y,z;-mx,0,0) (0,y,z+1;-mx,0,0) (0,-y,z+1;mx,0,0) 8d (x,0,z;0,my,0) (-x,0,z;0,-my,0) (x,0,z+1;0,-my,0) (-x,0,z+1;0,my,0) 8c (1/4,1/4,z;mx,my,0) (-1/4,-1/4,z;-mx,-my,0) (-1/4,1/4,z;mx,-my,0) (1/4,-1/4,z;-mx,my,0) 4b (0,1/2,z;0,0,0) (0,1/2,z+1;0,0,0) 4a (0,0,z;0,0,0) (0,0,z+1;0,0,0) ---------- UNI: 44.234 Imm2.1'_a[Amm2] BNS: 44.234 I_amm2 OG: 38.8.272 A_Imm2 OG-BNS transformation: (0,0,0;2a,b,c) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) (1|1/2,0,0)' (2z|1/2,0,0)' (mx|1/2,0,0)' (my|1/2,0,0)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,1/2)+ 16f (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x+1/2,y,z;-mx,-my,-mz) (-x+1/2,-y,z;mx,my,-mz) (-x+1/2,y,z;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) 8e (1/4,y,z;0,my,mz) (3/4,-y,z;0,-my,mz) (3/4,y,z;0,-my,-mz) (1/4,-y,z;0,my,-mz) 8d (0,y,z;mx,0,0) (0,-y,z;-mx,0,0) (1/2,y,z;-mx,0,0) (1/2,-y,z;mx,0,0) 8c (x,0,z;0,my,0) (-x,0,z;0,-my,0) (x+1/2,0,z;0,-my,0) (-x+1/2,0,z;0,my,0) 4b (1/4,0,z;0,my,0) (3/4,0,z;0,-my,0) 4a (0,0,z;0,0,0) (1/2,0,z;0,0,0) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) (1|1,0,0)' (2z|1,0,0)' (mx|1,0,0)' (my|1,0,0)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,1,0)+ (0,0,1)+ (1,1/2,1/2)+ 16f (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x+1,y,z;-mx,-my,-mz) (-x+1,-y,z;mx,my,-mz) (-x+1,y,z;-mx,my,mz) (x+1,-y,z;mx,-my,mz) 8e (1/2,y,z;0,my,mz) (-1/2,-y,z;0,-my,mz) (-1/2,y,z;0,-my,-mz) (1/2,-y,z;0,my,-mz) 8d (0,y,z;mx,0,0) (0,-y,z;-mx,0,0) (1,y,z;-mx,0,0) (1,-y,z;mx,0,0) 8c (x,0,z;0,my,0) (-x,0,z;0,-my,0) (x+1,0,z;0,-my,0) (-x+1,0,z;0,my,0) 4b (1/2,0,z;0,my,0) (-1/2,0,z;0,-my,0) 4a (0,0,z;0,0,0) (1,0,z;0,0,0) ---------- UNI: 45.235 Iba2.1 BNS: 45.235 Iba2 OG: 45.1.331 Iba2 Operators: (1|0,0,0) (2z|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) Wyckoff positions: (0,0,0)+ (1/2,1/2,1/2)+ 8c (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) 4b (0,1/2,z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) 4a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) ---------- UNI: 45.236 Iba2.1' BNS: 45.236 Iba21' OG: 45.2.332 Iba21' Operators: (1|0,0,0) (2z|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (1|0,0,0)' (2z|0,0,0)' (mx|0,0,1/2)' (my|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1/2,1/2,1/2)+ 8c (x,y,z;0,0,0) (-x,-y,z;0,0,0) (-x,y,z+1/2;0,0,0) (x,-y,z+1/2;0,0,0) 4b (0,1/2,z;0,0,0) (0,1/2,z+1/2;0,0,0) 4a (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) ---------- UNI: 45.237 Ib'a2' BNS: 45.237 Ib'a2' OG: 45.3.333 Ib'a2' Operators: (1|0,0,0) (2z|0,0,0)' (mx|0,0,1/2)' (my|0,0,1/2) Wyckoff positions: (0,0,0)+ (1/2,1/2,1/2)+ 8c (x,y,z;mx,my,mz) (-x,-y,z;mx,my,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) 4b (0,1/2,z;mx,my,0) (0,1/2,z+1/2;-mx,my,0) 4a (0,0,z;mx,my,0) (0,0,z+1/2;-mx,my,0) ---------- UNI: 45.238 Ib'a'2 BNS: 45.238 Ib'a'2 OG: 45.4.334 Ib'a'2 Operators: (1|0,0,0) (2z|0,0,0) (mx|0,0,1/2)' (my|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1/2,1/2,1/2)+ 8c (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) 4b (0,1/2,z;0,0,mz) (0,1/2,z+1/2;0,0,mz) 4a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,mz) ---------- UNI: 45.239 Iba2.1'_c[Cmm2] BNS: 45.239 I_cba2 OG: 35.13.248 C_Im'm'2 OG-BNS transformation: (0,0,0;a,b,2c) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (1|0,0,1/2)' (2z|0,0,1/2)' (mx|0,0,0)' (my|0,0,0)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,1/2)+ 16f (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,z+1/2;-mx,-my,-mz) (-x,-y,z+1/2;mx,my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) 8e (0,y,z;0,my,mz) (0,-y,z;0,-my,mz) (0,y,z+1/2;0,-my,-mz) (0,-y,z+1/2;0,my,-mz) 8d (x,0,z;mx,0,mz) (-x,0,z;-mx,0,mz) (-x,0,z+1/2;mx,0,-mz) (x,0,z+1/2;-mx,0,-mz) 8c (1/4,1/4,z;mx,my,0) (3/4,3/4,z;-mx,-my,0) (3/4,1/4,z+1/2;mx,-my,0) (1/4,3/4,z+1/2;-mx,my,0) 4b (0,1/2,z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) 4a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|0,0,1) (my|0,0,1) (1|0,0,1)' (2z|0,0,1)' (mx|0,0,0)' (my|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ (1/2,1/2,1)+ 16f (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1;mx,-my,-mz) (x,-y,z+1;-mx,my,-mz) (x,y,z+1;-mx,-my,-mz) (-x,-y,z+1;mx,my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) 8e (0,y,z;0,my,mz) (0,-y,z;0,-my,mz) (0,y,z+1;0,-my,-mz) (0,-y,z+1;0,my,-mz) 8d (x,0,z;mx,0,mz) (-x,0,z;-mx,0,mz) (-x,0,z+1;mx,0,-mz) (x,0,z+1;-mx,0,-mz) 8c (1/4,1/4,z;mx,my,0) (-1/4,-1/4,z;-mx,-my,0) (-1/4,1/4,z+1;mx,-my,0) (1/4,-1/4,z+1;-mx,my,0) 4b (0,1/2,z;0,0,mz) (0,1/2,z+1;0,0,-mz) 4a (0,0,z;0,0,mz) (0,0,z+1;0,0,-mz) ---------- UNI: 45.240 Iba2.1'_a[Abm2] BNS: 45.240 I_aba2 OG: 39.13.290 A_Ib'm'2 OG-BNS transformation: (0,0,0;2a,b,c) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (1|1/2,0,0)' (2z|1/2,0,0)' (mx|0,1/2,0)' (my|0,1/2,0)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,1/2)+ 16d (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y,z;-mx,-my,-mz) (-x+1/2,-y,z;mx,my,-mz) (-x,y+1/2,z;-mx,my,mz) (x,-y+1/2,z;mx,-my,mz) 8c (x,1/4,z;mx,0,mz) (-x,3/4,z;-mx,0,mz) (-x,1/4,z+1/2;mx,0,-mz) (x,3/4,z+1/2;-mx,0,-mz) 8b (1/4,0,z;mx,my,0) (3/4,0,z;-mx,-my,0) (3/4,0,z+1/2;mx,-my,0) (1/4,0,z+1/2;-mx,my,0) 8a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) (1/2,0,z;0,0,-mz) (0,1/2,z;0,0,mz) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (1|1,0,0)' (2z|1,0,0)' (mx|1,0,1/2)' (my|1,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,1,0)+ (0,0,1)+ (1,1/2,1/2)+ 16d (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1,y,z;-mx,-my,-mz) (-x+1,-y,z;mx,my,-mz) (-x+1,y,z+1/2;-mx,my,mz) (x+1,-y,z+1/2;mx,-my,mz) 8c (x,1/4,z;mx,0,mz) (-x,-1/4,z;-mx,0,mz) (-x,1/4,z+1/2;mx,0,-mz) (x,-1/4,z+1/2;-mx,0,-mz) 8b (1/2,0,z;mx,my,0) (-1/2,0,z;-mx,-my,0) (-1/2,0,z+1/2;mx,-my,0) (1/2,0,z+1/2;-mx,my,0) 8a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) (1,0,z;0,0,-mz) (1,0,z+1/2;0,0,mz) ---------- UNI: 46.241 Ima2.1 BNS: 46.241 Ima2 OG: 46.1.338 Ima2 Operators: (1|0,0,0) (2z|0,0,0) (mx|1/2,0,0) (my|1/2,0,0) Wyckoff positions: (0,0,0)+ (1/2,1/2,1/2)+ 8c (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y,z;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) 4b (1/4,y,z;mx,0,0) (3/4,-y,z;-mx,0,0) 4a (0,0,z;0,0,mz) (1/2,0,z;0,0,-mz) ---------- UNI: 46.242 Ima2.1' BNS: 46.242 Ima21' OG: 46.2.339 Ima21' Operators: (1|0,0,0) (2z|0,0,0) (mx|1/2,0,0) (my|1/2,0,0) (1|0,0,0)' (2z|0,0,0)' (mx|1/2,0,0)' (my|1/2,0,0)' Wyckoff positions: (0,0,0)+ (1/2,1/2,1/2)+ 8c (x,y,z;0,0,0) (-x,-y,z;0,0,0) (-x+1/2,y,z;0,0,0) (x+1/2,-y,z;0,0,0) 4b (1/4,y,z;0,0,0) (3/4,-y,z;0,0,0) 4a (0,0,z;0,0,0) (1/2,0,z;0,0,0) ---------- UNI: 46.243 Im'a2' BNS: 46.243 Im'a2' OG: 46.3.340 Im'a2' Operators: (1|0,0,0) (2z|0,0,0)' (mx|1/2,0,0)' (my|1/2,0,0) Wyckoff positions: (0,0,0)+ (1/2,1/2,1/2)+ 8c (x,y,z;mx,my,mz) (-x,-y,z;mx,my,-mz) (-x+1/2,y,z;-mx,my,mz) (x+1/2,-y,z;-mx,my,-mz) 4b (1/4,y,z;0,my,mz) (3/4,-y,z;0,my,-mz) 4a (0,0,z;mx,my,0) (1/2,0,z;-mx,my,0) ---------- UNI: 46.244 Ima'2' BNS: 46.244 Ima'2' OG: 46.4.341 Ima'2' Operators: (1|0,0,0) (2z|0,0,0)' (mx|1/2,0,0) (my|1/2,0,0)' Wyckoff positions: (0,0,0)+ (1/2,1/2,1/2)+ 8c (x,y,z;mx,my,mz) (-x,-y,z;mx,my,-mz) (-x+1/2,y,z;mx,-my,-mz) (x+1/2,-y,z;mx,-my,mz) 4b (1/4,y,z;mx,0,0) (3/4,-y,z;mx,0,0) 4a (0,0,z;mx,my,0) (1/2,0,z;mx,-my,0) ---------- UNI: 46.245 Im'a'2 BNS: 46.245 Im'a'2 OG: 46.5.342 Im'a'2 Operators: (1|0,0,0) (2z|0,0,0) (mx|1/2,0,0)' (my|1/2,0,0)' Wyckoff positions: (0,0,0)+ (1/2,1/2,1/2)+ 8c (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y,z;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) 4b (1/4,y,z;0,my,mz) (3/4,-y,z;0,-my,mz) 4a (0,0,z;0,0,mz) (1/2,0,z;0,0,mz) ---------- UNI: 46.246 Ima2.1'_c[Cmm2] BNS: 46.246 I_cma2 OG: 35.12.247 C_Im'm2' OG-BNS transformation: (1/4,1/4,0;b,-a,2c) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|1/2,0,0) (my|1/2,0,0) (1|0,0,1/2)' (2z|0,0,1/2)' (mx|0,1/2,0)' (my|0,1/2,0)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,1/2)+ 16f (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y,z;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x,y,z+1/2;-mx,-my,-mz) (-x,-y,z+1/2;mx,my,-mz) (-x,y+1/2,z;-mx,my,mz) (x,-y+1/2,z;mx,-my,mz) 8e (x,1/4,z;mx,0,mz) (-x,3/4,z;-mx,0,mz) (-x+1/2,1/4,z;mx,0,-mz) (x+1/2,3/4,z;-mx,0,-mz) 8d (3/4,y,z;mx,0,0) (1/4,-y,z;-mx,0,0) (3/4,y,z+1/2;-mx,0,0) (1/4,-y,z+1/2;mx,0,0) 8c (0,0,z;0,0,mz) (1/2,0,z;0,0,-mz) (0,0,z+1/2;0,0,-mz) (0,1/2,z;0,0,mz) 4b (1/4,1/4,z;mx,0,0) (3/4,3/4,z;-mx,0,0) 4a (3/4,1/4,z;mx,0,0) (1/4,3/4,z;-mx,0,0) Operators (OG): (1|0,0,0) (2z|0,0,1) (my|0,0,0) (mx|0,0,1) (1|0,0,1)' (2z|0,0,0)' (my|0,0,1)' (mx|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (0,1,0)+ (-1,0,0)+ (0,0,2)+ (-1/2,1/2,1)+ 16f (x,y,z;mx,my,mz) (-x,-y,z+1;-mx,-my,mz) (x,-y,z;-mx,my,-mz) (-x,y,z+1;mx,-my,-mz) (x,y,z+1;-mx,-my,-mz) (-x,-y,z;mx,my,-mz) (x,-y,z+1;mx,-my,mz) (-x,y,z;-mx,my,mz) 8e (0,y,z;0,my,mz) (0,-y,z+1;0,-my,mz) (0,-y,z;0,my,-mz) (0,y,z+1;0,-my,-mz) 8d (x,0,z;0,my,0) (-x,0,z+1;0,-my,0) (x,0,z+1;0,-my,0) (-x,0,z;0,my,0) 8c (1/4,1/4,z;0,0,mz) (1/4,-1/4,z;0,0,-mz) (1/4,1/4,z+1;0,0,-mz) (1/4,-1/4,z+1;0,0,mz) 4b (0,1/2,z;0,my,0) (0,-1/2,z+1;0,-my,0) 4a (0,0,z;0,my,0) (0,0,z+1;0,-my,0) ---------- UNI: 46.247 Ima2.1'_a[Amm2] BNS: 46.247 I_ama2 OG: 38.13.277 A_Im'm'2 OG-BNS transformation: (0,0,0;2a,b,c) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|1/2,0,0) (my|1/2,0,0) (1|1/2,0,0)' (2z|1/2,0,0)' (mx|0,0,0)' (my|0,0,0)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,1/2)+ 16f (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y,z;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x+1/2,y,z;-mx,-my,-mz) (-x+1/2,-y,z;mx,my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) 8e (1/4,y,z;mx,0,0) (3/4,-y,z;-mx,0,0) (3/4,y,z;-mx,0,0) (1/4,-y,z;mx,0,0) 8d (0,y,z;0,my,mz) (0,-y,z;0,-my,mz) (1/2,y,z;0,-my,-mz) (1/2,-y,z;0,my,-mz) 8c (x,0,z;mx,0,mz) (-x,0,z;-mx,0,mz) (-x+1/2,0,z;mx,0,-mz) (x+1/2,0,z;-mx,0,-mz) 4b (1/4,0,z;mx,0,0) (3/4,0,z;-mx,0,0) 4a (0,0,z;0,0,mz) (1/2,0,z;0,0,-mz) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|1,0,0) (my|1,0,0) (1|1,0,0)' (2z|1,0,0)' (mx|0,0,0)' (my|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,1,0)+ (0,0,1)+ (1,1/2,1/2)+ 16f (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1,y,z;mx,-my,-mz) (x+1,-y,z;-mx,my,-mz) (x+1,y,z;-mx,-my,-mz) (-x+1,-y,z;mx,my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) 8e (1/2,y,z;mx,0,0) (-1/2,-y,z;-mx,0,0) (3/2,y,z;-mx,0,0) (1/2,-y,z;mx,0,0) 8d (0,y,z;0,my,mz) (0,-y,z;0,-my,mz) (1,y,z;0,-my,-mz) (1,-y,z;0,my,-mz) 8c (x,0,z;mx,0,mz) (-x,0,z;-mx,0,mz) (-x+1,0,z;mx,0,-mz) (x+1,0,z;-mx,0,-mz) 4b (1/2,0,z;mx,0,0) (-1/2,0,z;-mx,0,0) 4a (0,0,z;0,0,mz) (1,0,z;0,0,-mz) ---------- UNI: 46.248 Ima2.1'_b[Bma2] BNS: 46.248 I_bma2 OG: 39.8.285 A_Ibm2 OG-BNS transformation: (0,0,0;b,-2a,c) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|1/2,0,0) (my|1/2,0,0) (1|0,1/2,0)' (2z|0,1/2,0)' (mx|0,0,1/2)' (my|0,0,1/2)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,1/2)+ 16d (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y,z;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x,y+1/2,z;-mx,-my,-mz) (-x,-y+1/2,z;mx,my,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) 8c (1/4,y,z;mx,0,0) (3/4,-y,z;-mx,0,0) (1/4,y+1/2,z;-mx,0,0) (3/4,-y+1/2,z;mx,0,0) 8b (0,3/4,z;mx,my,0) (0,1/4,z;-mx,-my,0) (1/2,3/4,z;mx,-my,0) (1/2,1/4,z;-mx,my,0) 8a (0,0,z;0,0,mz) (1/2,0,z;0,0,-mz) (0,1/2,z;0,0,-mz) (0,0,z+1/2;0,0,mz) Operators (OG): (1|0,0,0) (2z|0,0,0) (my|1,0,1/2) (mx|1,0,1/2) (1|1,0,0)' (2z|1,0,0)' (my|0,0,1/2)' (mx|0,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (0,1,0)+ (-2,0,0)+ (0,0,1)+ (-1,1/2,1/2)+ 16d (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (x+1,-y,z+1/2;-mx,my,-mz) (-x+1,y,z+1/2;mx,-my,-mz) (x+1,y,z;-mx,-my,-mz) (-x+1,-y,z;mx,my,-mz) (x,-y,z+1/2;mx,-my,mz) (-x,y,z+1/2;-mx,my,mz) 8c (x,1/4,z;0,my,0) (-x,-1/4,z;0,-my,0) (x+1,1/4,z;0,-my,0) (-x+1,-1/4,z;0,my,0) 8b (1/2,0,z;mx,my,0) (-1/2,0,z;-mx,-my,0) (3/2,0,z+1/2;-mx,my,0) (1/2,0,z+1/2;mx,-my,0) 8a (0,0,z;0,0,mz) (1,0,z+1/2;0,0,-mz) (1,0,z;0,0,-mz) (0,0,z+1/2;0,0,mz) ---------- UNI: 47.249 Pmmm.1 BNS: 47.249 Pmmm OG: 47.1.347 Pmmm Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (-1|0,0,0) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) Wyckoff positions: 8alpha (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) 4z (x,y,1/2;0,0,mz) (x,-y,1/2;0,0,-mz) (-x,y,1/2;0,0,-mz) (-x,-y,1/2;0,0,mz) 4y (x,y,0;0,0,mz) (x,-y,0;0,0,-mz) (-x,y,0;0,0,-mz) (-x,-y,0;0,0,mz) 4x (x,1/2,z;0,my,0) (x,1/2,-z;0,-my,0) (-x,1/2,-z;0,my,0) (-x,1/2,z;0,-my,0) 4w (x,0,z;0,my,0) (x,0,-z;0,-my,0) (-x,0,-z;0,my,0) (-x,0,z;0,-my,0) 4v (1/2,y,z;mx,0,0) (1/2,-y,-z;mx,0,0) (1/2,y,-z;-mx,0,0) (1/2,-y,z;-mx,0,0) 4u (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (0,y,-z;-mx,0,0) (0,-y,z;-mx,0,0) 2t (1/2,1/2,z;0,0,0) (1/2,1/2,-z;0,0,0) 2s (1/2,0,z;0,0,0) (1/2,0,-z;0,0,0) 2r (0,1/2,z;0,0,0) (0,1/2,-z;0,0,0) 2q (0,0,z;0,0,0) (0,0,-z;0,0,0) 2p (1/2,y,1/2;0,0,0) (1/2,-y,1/2;0,0,0) 2o (1/2,y,0;0,0,0) (1/2,-y,0;0,0,0) 2n (0,y,1/2;0,0,0) (0,-y,1/2;0,0,0) 2m (0,y,0;0,0,0) (0,-y,0;0,0,0) 2l (x,1/2,1/2;0,0,0) (-x,1/2,1/2;0,0,0) 2k (x,1/2,0;0,0,0) (-x,1/2,0;0,0,0) 2j (x,0,1/2;0,0,0) (-x,0,1/2;0,0,0) 2i (x,0,0;0,0,0) (-x,0,0;0,0,0) 1h (1/2,1/2,1/2;0,0,0) 1g (0,1/2,1/2;0,0,0) 1f (1/2,1/2,0;0,0,0) 1e (0,1/2,0;0,0,0) 1d (1/2,0,1/2;0,0,0) 1c (0,0,1/2;0,0,0) 1b (1/2,0,0;0,0,0) 1a (0,0,0;0,0,0) ---------- UNI: 47.250 Pmmm.1' BNS: 47.250 Pmmm1' OG: 47.2.348 Pmmm1' Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (-1|0,0,0) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (1|0,0,0)' (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,0)' (-1|0,0,0)' (mx|0,0,0)' (my|0,0,0)' (mz|0,0,0)' Wyckoff positions: 8alpha (x,y,z;0,0,0) (x,-y,-z;0,0,0) (-x,y,-z;0,0,0) (-x,-y,z;0,0,0) (-x,-y,-z;0,0,0) (-x,y,z;0,0,0) (x,-y,z;0,0,0) (x,y,-z;0,0,0) 4z (x,y,1/2;0,0,0) (x,-y,1/2;0,0,0) (-x,y,1/2;0,0,0) (-x,-y,1/2;0,0,0) 4y (x,y,0;0,0,0) (x,-y,0;0,0,0) (-x,y,0;0,0,0) (-x,-y,0;0,0,0) 4x (x,1/2,z;0,0,0) (x,1/2,-z;0,0,0) (-x,1/2,-z;0,0,0) (-x,1/2,z;0,0,0) 4w (x,0,z;0,0,0) (x,0,-z;0,0,0) (-x,0,-z;0,0,0) (-x,0,z;0,0,0) 4v (1/2,y,z;0,0,0) (1/2,-y,-z;0,0,0) (1/2,y,-z;0,0,0) (1/2,-y,z;0,0,0) 4u (0,y,z;0,0,0) (0,-y,-z;0,0,0) (0,y,-z;0,0,0) (0,-y,z;0,0,0) 2t (1/2,1/2,z;0,0,0) (1/2,1/2,-z;0,0,0) 2s (1/2,0,z;0,0,0) (1/2,0,-z;0,0,0) 2r (0,1/2,z;0,0,0) (0,1/2,-z;0,0,0) 2q (0,0,z;0,0,0) (0,0,-z;0,0,0) 2p (1/2,y,1/2;0,0,0) (1/2,-y,1/2;0,0,0) 2o (1/2,y,0;0,0,0) (1/2,-y,0;0,0,0) 2n (0,y,1/2;0,0,0) (0,-y,1/2;0,0,0) 2m (0,y,0;0,0,0) (0,-y,0;0,0,0) 2l (x,1/2,1/2;0,0,0) (-x,1/2,1/2;0,0,0) 2k (x,1/2,0;0,0,0) (-x,1/2,0;0,0,0) 2j (x,0,1/2;0,0,0) (-x,0,1/2;0,0,0) 2i (x,0,0;0,0,0) (-x,0,0;0,0,0) 1h (1/2,1/2,1/2;0,0,0) 1g (0,1/2,1/2;0,0,0) 1f (1/2,1/2,0;0,0,0) 1e (0,1/2,0;0,0,0) 1d (1/2,0,1/2;0,0,0) 1c (0,0,1/2;0,0,0) 1b (1/2,0,0;0,0,0) 1a (0,0,0;0,0,0) ---------- UNI: 47.251 Pm'mm BNS: 47.251 Pm'mm OG: 47.3.349 Pm'mm Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,0)' (2z|0,0,0)' (-1|0,0,0)' (mx|0,0,0)' (my|0,0,0) (mz|0,0,0) Wyckoff positions: 8alpha (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;mx,-my,mz) (-x,-y,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) 4z (x,y,1/2;0,0,mz) (x,-y,1/2;0,0,-mz) (-x,y,1/2;0,0,mz) (-x,-y,1/2;0,0,-mz) 4y (x,y,0;0,0,mz) (x,-y,0;0,0,-mz) (-x,y,0;0,0,mz) (-x,-y,0;0,0,-mz) 4x (x,1/2,z;0,my,0) (x,1/2,-z;0,-my,0) (-x,1/2,-z;0,-my,0) (-x,1/2,z;0,my,0) 4w (x,0,z;0,my,0) (x,0,-z;0,-my,0) (-x,0,-z;0,-my,0) (-x,0,z;0,my,0) 4v (1/2,y,z;0,my,mz) (1/2,-y,-z;0,-my,-mz) (1/2,y,-z;0,-my,mz) (1/2,-y,z;0,my,-mz) 4u (0,y,z;0,my,mz) (0,-y,-z;0,-my,-mz) (0,y,-z;0,-my,mz) (0,-y,z;0,my,-mz) 2t (1/2,1/2,z;0,my,0) (1/2,1/2,-z;0,-my,0) 2s (1/2,0,z;0,my,0) (1/2,0,-z;0,-my,0) 2r (0,1/2,z;0,my,0) (0,1/2,-z;0,-my,0) 2q (0,0,z;0,my,0) (0,0,-z;0,-my,0) 2p (1/2,y,1/2;0,0,mz) (1/2,-y,1/2;0,0,-mz) 2o (1/2,y,0;0,0,mz) (1/2,-y,0;0,0,-mz) 2n (0,y,1/2;0,0,mz) (0,-y,1/2;0,0,-mz) 2m (0,y,0;0,0,mz) (0,-y,0;0,0,-mz) 2l (x,1/2,1/2;0,0,0) (-x,1/2,1/2;0,0,0) 2k (x,1/2,0;0,0,0) (-x,1/2,0;0,0,0) 2j (x,0,1/2;0,0,0) (-x,0,1/2;0,0,0) 2i (x,0,0;0,0,0) (-x,0,0;0,0,0) 1h (1/2,1/2,1/2;0,0,0) 1g (0,1/2,1/2;0,0,0) 1f (1/2,1/2,0;0,0,0) 1e (0,1/2,0;0,0,0) 1d (1/2,0,1/2;0,0,0) 1c (0,0,1/2;0,0,0) 1b (1/2,0,0;0,0,0) 1a (0,0,0;0,0,0) ---------- UNI: 47.252 Pm'm'm BNS: 47.252 Pm'm'm OG: 47.4.350 Pm'm'm Operators: (1|0,0,0) (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,0) (-1|0,0,0) (mx|0,0,0)' (my|0,0,0)' (mz|0,0,0) Wyckoff positions: 8alpha (x,y,z;mx,my,mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x,y,-z;-mx,-my,mz) 4z (x,y,1/2;0,0,mz) (x,-y,1/2;0,0,mz) (-x,y,1/2;0,0,mz) (-x,-y,1/2;0,0,mz) 4y (x,y,0;0,0,mz) (x,-y,0;0,0,mz) (-x,y,0;0,0,mz) (-x,-y,0;0,0,mz) 4x (x,1/2,z;mx,0,mz) (x,1/2,-z;-mx,0,mz) (-x,1/2,-z;mx,0,mz) (-x,1/2,z;-mx,0,mz) 4w (x,0,z;mx,0,mz) (x,0,-z;-mx,0,mz) (-x,0,-z;mx,0,mz) (-x,0,z;-mx,0,mz) 4v (1/2,y,z;0,my,mz) (1/2,-y,-z;0,my,mz) (1/2,y,-z;0,-my,mz) (1/2,-y,z;0,-my,mz) 4u (0,y,z;0,my,mz) (0,-y,-z;0,my,mz) (0,y,-z;0,-my,mz) (0,-y,z;0,-my,mz) 2t (1/2,1/2,z;0,0,mz) (1/2,1/2,-z;0,0,mz) 2s (1/2,0,z;0,0,mz) (1/2,0,-z;0,0,mz) 2r (0,1/2,z;0,0,mz) (0,1/2,-z;0,0,mz) 2q (0,0,z;0,0,mz) (0,0,-z;0,0,mz) 2p (1/2,y,1/2;0,0,mz) (1/2,-y,1/2;0,0,mz) 2o (1/2,y,0;0,0,mz) (1/2,-y,0;0,0,mz) 2n (0,y,1/2;0,0,mz) (0,-y,1/2;0,0,mz) 2m (0,y,0;0,0,mz) (0,-y,0;0,0,mz) 2l (x,1/2,1/2;0,0,mz) (-x,1/2,1/2;0,0,mz) 2k (x,1/2,0;0,0,mz) (-x,1/2,0;0,0,mz) 2j (x,0,1/2;0,0,mz) (-x,0,1/2;0,0,mz) 2i (x,0,0;0,0,mz) (-x,0,0;0,0,mz) 1h (1/2,1/2,1/2;0,0,mz) 1g (0,1/2,1/2;0,0,mz) 1f (1/2,1/2,0;0,0,mz) 1e (0,1/2,0;0,0,mz) 1d (1/2,0,1/2;0,0,mz) 1c (0,0,1/2;0,0,mz) 1b (1/2,0,0;0,0,mz) 1a (0,0,0;0,0,mz) ---------- UNI: 47.253 Pm'm'm' BNS: 47.253 Pm'm'm' OG: 47.5.351 Pm'm'm' Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (-1|0,0,0)' (mx|0,0,0)' (my|0,0,0)' (mz|0,0,0)' Wyckoff positions: 8alpha (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x,y,-z;mx,my,-mz) 4z (x,y,1/2;mx,my,0) (x,-y,1/2;mx,-my,0) (-x,y,1/2;-mx,my,0) (-x,-y,1/2;-mx,-my,0) 4y (x,y,0;mx,my,0) (x,-y,0;mx,-my,0) (-x,y,0;-mx,my,0) (-x,-y,0;-mx,-my,0) 4x (x,1/2,z;mx,0,mz) (x,1/2,-z;mx,0,-mz) (-x,1/2,-z;-mx,0,-mz) (-x,1/2,z;-mx,0,mz) 4w (x,0,z;mx,0,mz) (x,0,-z;mx,0,-mz) (-x,0,-z;-mx,0,-mz) (-x,0,z;-mx,0,mz) 4v (1/2,y,z;0,my,mz) (1/2,-y,-z;0,-my,-mz) (1/2,y,-z;0,my,-mz) (1/2,-y,z;0,-my,mz) 4u (0,y,z;0,my,mz) (0,-y,-z;0,-my,-mz) (0,y,-z;0,my,-mz) (0,-y,z;0,-my,mz) 2t (1/2,1/2,z;0,0,mz) (1/2,1/2,-z;0,0,-mz) 2s (1/2,0,z;0,0,mz) (1/2,0,-z;0,0,-mz) 2r (0,1/2,z;0,0,mz) (0,1/2,-z;0,0,-mz) 2q (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) 2p (1/2,y,1/2;0,my,0) (1/2,-y,1/2;0,-my,0) 2o (1/2,y,0;0,my,0) (1/2,-y,0;0,-my,0) 2n (0,y,1/2;0,my,0) (0,-y,1/2;0,-my,0) 2m (0,y,0;0,my,0) (0,-y,0;0,-my,0) 2l (x,1/2,1/2;mx,0,0) (-x,1/2,1/2;-mx,0,0) 2k (x,1/2,0;mx,0,0) (-x,1/2,0;-mx,0,0) 2j (x,0,1/2;mx,0,0) (-x,0,1/2;-mx,0,0) 2i (x,0,0;mx,0,0) (-x,0,0;-mx,0,0) 1h (1/2,1/2,1/2;0,0,0) 1g (0,1/2,1/2;0,0,0) 1f (1/2,1/2,0;0,0,0) 1e (0,1/2,0;0,0,0) 1d (1/2,0,1/2;0,0,0) 1c (0,0,1/2;0,0,0) 1b (1/2,0,0;0,0,0) 1a (0,0,0;0,0,0) ---------- UNI: 47.254 Pmmm.1'_a[Pmmm] BNS: 47.254 P_ammm OG: 47.6.352 P_2ammm OG-BNS transformation: (0,0,0;2a,b,c) Operators (BNS): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (-1|0,0,0) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (1|1/2,0,0)' (2x|1/2,0,0)' (2y|1/2,0,0)' (2z|1/2,0,0)' (-1|1/2,0,0)' (mx|1/2,0,0)' (my|1/2,0,0)' (mz|1/2,0,0)' Wyckoff positions (BNS): 16alpha (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x+1/2,y,z;-mx,-my,-mz) (x+1/2,-y,-z;-mx,my,mz) (-x+1/2,y,-z;mx,-my,mz) (-x+1/2,-y,z;mx,my,-mz) (-x+1/2,-y,-z;-mx,-my,-mz) (-x+1/2,y,z;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) (x+1/2,y,-z;mx,my,-mz) 8z (x,y,1/2;0,0,mz) (x,-y,1/2;0,0,-mz) (-x,y,1/2;0,0,-mz) (-x,-y,1/2;0,0,mz) (x+1/2,y,1/2;0,0,-mz) (x+1/2,-y,1/2;0,0,mz) (-x+1/2,y,1/2;0,0,mz) (-x+1/2,-y,1/2;0,0,-mz) 8y (x,y,0;0,0,mz) (x,-y,0;0,0,-mz) (-x,y,0;0,0,-mz) (-x,-y,0;0,0,mz) (x+1/2,y,0;0,0,-mz) (x+1/2,-y,0;0,0,mz) (-x+1/2,y,0;0,0,mz) (-x+1/2,-y,0;0,0,-mz) 8x (x,1/2,z;0,my,0) (x,1/2,-z;0,-my,0) (-x,1/2,-z;0,my,0) (-x,1/2,z;0,-my,0) (x+1/2,1/2,z;0,-my,0) (x+1/2,1/2,-z;0,my,0) (-x+1/2,1/2,-z;0,-my,0) (-x+1/2,1/2,z;0,my,0) 8w (x,0,z;0,my,0) (x,0,-z;0,-my,0) (-x,0,-z;0,my,0) (-x,0,z;0,-my,0) (x+1/2,0,z;0,-my,0) (x+1/2,0,-z;0,my,0) (-x+1/2,0,-z;0,-my,0) (-x+1/2,0,z;0,my,0) 8v (1/4,y,z;0,my,mz) (1/4,-y,-z;0,-my,-mz) (3/4,y,-z;0,my,-mz) (3/4,-y,z;0,-my,mz) (3/4,-y,-z;0,my,mz) (3/4,y,z;0,-my,-mz) (1/4,-y,z;0,my,-mz) (1/4,y,-z;0,-my,mz) 8u (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (0,y,-z;-mx,0,0) (0,-y,z;-mx,0,0) (1/2,y,z;-mx,0,0) (1/2,-y,-z;-mx,0,0) (1/2,y,-z;mx,0,0) (1/2,-y,z;mx,0,0) 4t (1/4,1/2,z;0,my,0) (1/4,1/2,-z;0,-my,0) (3/4,1/2,-z;0,my,0) (3/4,1/2,z;0,-my,0) 4s (1/4,0,z;0,my,0) (1/4,0,-z;0,-my,0) (3/4,0,-z;0,my,0) (3/4,0,z;0,-my,0) 4r (0,1/2,z;0,0,0) (0,1/2,-z;0,0,0) (1/2,1/2,z;0,0,0) (1/2,1/2,-z;0,0,0) 4q (0,0,z;0,0,0) (0,0,-z;0,0,0) (1/2,0,z;0,0,0) (1/2,0,-z;0,0,0) 4p (1/4,y,1/2;0,0,mz) (1/4,-y,1/2;0,0,-mz) (3/4,y,1/2;0,0,-mz) (3/4,-y,1/2;0,0,mz) 4o (1/4,y,0;0,0,mz) (1/4,-y,0;0,0,-mz) (3/4,y,0;0,0,-mz) (3/4,-y,0;0,0,mz) 4n (0,y,1/2;0,0,0) (0,-y,1/2;0,0,0) (1/2,y,1/2;0,0,0) (1/2,-y,1/2;0,0,0) 4m (0,y,0;0,0,0) (0,-y,0;0,0,0) (1/2,y,0;0,0,0) (1/2,-y,0;0,0,0) 4l (x,1/2,1/2;0,0,0) (-x,1/2,1/2;0,0,0) (x+1/2,1/2,1/2;0,0,0) (-x+1/2,1/2,1/2;0,0,0) 4k (x,1/2,0;0,0,0) (-x,1/2,0;0,0,0) (x+1/2,1/2,0;0,0,0) (-x+1/2,1/2,0;0,0,0) 4j (x,0,1/2;0,0,0) (-x,0,1/2;0,0,0) (x+1/2,0,1/2;0,0,0) (-x+1/2,0,1/2;0,0,0) 4i (x,0,0;0,0,0) (-x,0,0;0,0,0) (x+1/2,0,0;0,0,0) (-x+1/2,0,0;0,0,0) 2h (1/4,1/2,1/2;0,0,0) (3/4,1/2,1/2;0,0,0) 2g (0,1/2,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 2f (1/4,1/2,0;0,0,0) (3/4,1/2,0;0,0,0) 2e (0,1/2,0;0,0,0) (1/2,1/2,0;0,0,0) 2d (1/4,0,1/2;0,0,0) (3/4,0,1/2;0,0,0) 2c (0,0,1/2;0,0,0) (1/2,0,1/2;0,0,0) 2b (1/4,0,0;0,0,0) (3/4,0,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,0,0;0,0,0) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (-1|0,0,0) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (1|1,0,0)' (2x|1,0,0)' (2y|1,0,0)' (2z|1,0,0)' (-1|1,0,0)' (mx|1,0,0)' (my|1,0,0)' (mz|1,0,0)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,1,0)+ (0,0,1)+ 16alpha (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x+1,y,z;-mx,-my,-mz) (x+1,-y,-z;-mx,my,mz) (-x+1,y,-z;mx,-my,mz) (-x+1,-y,z;mx,my,-mz) (-x+1,-y,-z;-mx,-my,-mz) (-x+1,y,z;-mx,my,mz) (x+1,-y,z;mx,-my,mz) (x+1,y,-z;mx,my,-mz) 8z (x,y,1/2;0,0,mz) (x,-y,-1/2;0,0,-mz) (-x,y,-1/2;0,0,-mz) (-x,-y,1/2;0,0,mz) (x+1,y,1/2;0,0,-mz) (x+1,-y,-1/2;0,0,mz) (-x+1,y,-1/2;0,0,mz) (-x+1,-y,1/2;0,0,-mz) 8y (x,y,0;0,0,mz) (x,-y,0;0,0,-mz) (-x,y,0;0,0,-mz) (-x,-y,0;0,0,mz) (x+1,y,0;0,0,-mz) (x+1,-y,0;0,0,mz) (-x+1,y,0;0,0,mz) (-x+1,-y,0;0,0,-mz) 8x (x,1/2,z;0,my,0) (x,-1/2,-z;0,-my,0) (-x,1/2,-z;0,my,0) (-x,-1/2,z;0,-my,0) (x+1,1/2,z;0,-my,0) (x+1,-1/2,-z;0,my,0) (-x+1,1/2,-z;0,-my,0) (-x+1,-1/2,z;0,my,0) 8w (x,0,z;0,my,0) (x,0,-z;0,-my,0) (-x,0,-z;0,my,0) (-x,0,z;0,-my,0) (x+1,0,z;0,-my,0) (x+1,0,-z;0,my,0) (-x+1,0,-z;0,-my,0) (-x+1,0,z;0,my,0) 8v (1/2,y,z;0,my,mz) (1/2,-y,-z;0,-my,-mz) (-1/2,y,-z;0,my,-mz) (-1/2,-y,z;0,-my,mz) (-1/2,-y,-z;0,my,mz) (-1/2,y,z;0,-my,-mz) (1/2,-y,z;0,my,-mz) (1/2,y,-z;0,-my,mz) 8u (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (0,y,-z;-mx,0,0) (0,-y,z;-mx,0,0) (1,y,z;-mx,0,0) (1,-y,-z;-mx,0,0) (1,y,-z;mx,0,0) (1,-y,z;mx,0,0) 4t (1/2,1/2,z;0,my,0) (1/2,-1/2,-z;0,-my,0) (-1/2,1/2,-z;0,my,0) (-1/2,-1/2,z;0,-my,0) 4s (1/2,0,z;0,my,0) (1/2,0,-z;0,-my,0) (-1/2,0,-z;0,my,0) (-1/2,0,z;0,-my,0) 4r (0,1/2,z;0,0,0) (0,-1/2,-z;0,0,0) (1,1/2,z;0,0,0) (1,-1/2,-z;0,0,0) 4q (0,0,z;0,0,0) (0,0,-z;0,0,0) (1,0,z;0,0,0) (1,0,-z;0,0,0) 4p (1/2,y,1/2;0,0,mz) (1/2,-y,-1/2;0,0,-mz) (-1/2,y,-1/2;0,0,-mz) (-1/2,-y,1/2;0,0,mz) 4o (1/2,y,0;0,0,mz) (1/2,-y,0;0,0,-mz) (-1/2,y,0;0,0,-mz) (-1/2,-y,0;0,0,mz) 4n (0,y,1/2;0,0,0) (0,-y,-1/2;0,0,0) (1,y,1/2;0,0,0) (1,-y,-1/2;0,0,0) 4m (0,y,0;0,0,0) (0,-y,0;0,0,0) (1,y,0;0,0,0) (1,-y,0;0,0,0) 4l (x,1/2,1/2;0,0,0) (-x,1/2,-1/2;0,0,0) (x+1,1/2,1/2;0,0,0) (-x+1,1/2,-1/2;0,0,0) 4k (x,1/2,0;0,0,0) (-x,1/2,0;0,0,0) (x+1,1/2,0;0,0,0) (-x+1,1/2,0;0,0,0) 4j (x,0,1/2;0,0,0) (-x,0,-1/2;0,0,0) (x+1,0,1/2;0,0,0) (-x+1,0,-1/2;0,0,0) 4i (x,0,0;0,0,0) (-x,0,0;0,0,0) (x+1,0,0;0,0,0) (-x+1,0,0;0,0,0) 2h (1/2,1/2,1/2;0,0,0) (-1/2,1/2,-1/2;0,0,0) 2g (0,1/2,1/2;0,0,0) (1,1/2,1/2;0,0,0) 2f (1/2,1/2,0;0,0,0) (-1/2,1/2,0;0,0,0) 2e (0,1/2,0;0,0,0) (1,1/2,0;0,0,0) 2d (1/2,0,1/2;0,0,0) (-1/2,0,-1/2;0,0,0) 2c (0,0,1/2;0,0,0) (1,0,1/2;0,0,0) 2b (1/2,0,0;0,0,0) (-1/2,0,0;0,0,0) 2a (0,0,0;0,0,0) (1,0,0;0,0,0) ---------- UNI: 47.255 Pmmm.1'_C[Cmmm] BNS: 47.255 P_Cmmm OG: 65.9.553 C_Pmmm OG-BNS transformation: (0,0,0;a,b,c) Operators (BNS): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (-1|0,0,0) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (1|1/2,1/2,0)' (2x|1/2,1/2,0)' (2y|1/2,1/2,0)' (2z|1/2,1/2,0)' (-1|1/2,1/2,0)' (mx|1/2,1/2,0)' (my|1/2,1/2,0)' (mz|1/2,1/2,0)' Wyckoff positions (BNS): 16r (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x+1/2,y+1/2,-z;mx,-my,mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z;mx,-my,mz) (x+1/2,y+1/2,-z;mx,my,-mz) 8q (x,y,1/2;0,0,mz) (x,-y,1/2;0,0,-mz) (-x,y,1/2;0,0,-mz) (-x,-y,1/2;0,0,mz) (x+1/2,y+1/2,1/2;0,0,-mz) (x+1/2,-y+1/2,1/2;0,0,mz) (-x+1/2,y+1/2,1/2;0,0,mz) (-x+1/2,-y+1/2,1/2;0,0,-mz) 8p (x,y,0;0,0,mz) (x,-y,0;0,0,-mz) (-x,y,0;0,0,-mz) (-x,-y,0;0,0,mz) (x+1/2,y+1/2,0;0,0,-mz) (x+1/2,-y+1/2,0;0,0,mz) (-x+1/2,y+1/2,0;0,0,mz) (-x+1/2,-y+1/2,0;0,0,-mz) 8o (x,0,z;0,my,0) (x,0,-z;0,-my,0) (-x,0,-z;0,my,0) (-x,0,z;0,-my,0) (x+1/2,1/2,z;0,-my,0) (x+1/2,1/2,-z;0,my,0) (-x+1/2,1/2,-z;0,-my,0) (-x+1/2,1/2,z;0,my,0) 8n (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (0,y,-z;-mx,0,0) (0,-y,z;-mx,0,0) (1/2,y+1/2,z;-mx,0,0) (1/2,-y+1/2,-z;-mx,0,0) (1/2,y+1/2,-z;mx,0,0) (1/2,-y+1/2,z;mx,0,0) 8m (1/4,1/4,z;mx,my,0) (1/4,3/4,-z;mx,-my,0) (3/4,1/4,-z;-mx,my,0) (3/4,3/4,z;-mx,-my,0) (3/4,3/4,-z;mx,my,0) (3/4,1/4,z;mx,-my,0) (1/4,3/4,z;-mx,my,0) (1/4,1/4,-z;-mx,-my,0) 4l (0,1/2,z;0,0,0) (0,1/2,-z;0,0,0) (1/2,0,z;0,0,0) (1/2,0,-z;0,0,0) 4k (0,0,z;0,0,0) (0,0,-z;0,0,0) (1/2,1/2,z;0,0,0) (1/2,1/2,-z;0,0,0) 4j (0,y,1/2;0,0,0) (0,-y,1/2;0,0,0) (1/2,y+1/2,1/2;0,0,0) (1/2,-y+1/2,1/2;0,0,0) 4i (0,y,0;0,0,0) (0,-y,0;0,0,0) (1/2,y+1/2,0;0,0,0) (1/2,-y+1/2,0;0,0,0) 4h (x,0,1/2;0,0,0) (-x,0,1/2;0,0,0) (x+1/2,1/2,1/2;0,0,0) (-x+1/2,1/2,1/2;0,0,0) 4g (x,0,0;0,0,0) (-x,0,0;0,0,0) (x+1/2,1/2,0;0,0,0) (-x+1/2,1/2,0;0,0,0) 4f (1/4,1/4,1/2;0,0,0) (1/4,3/4,1/2;0,0,0) (3/4,1/4,1/2;0,0,0) (3/4,3/4,1/2;0,0,0) 4e (1/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) (3/4,1/4,0;0,0,0) (3/4,3/4,0;0,0,0) 2d (0,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 2c (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) 2b (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,0;0,0,0) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (-1|0,0,0) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (1|1/2,1/2,0)' (2x|1/2,1/2,0)' (2y|1/2,1/2,0)' (2z|1/2,1/2,0)' (-1|1/2,1/2,0)' (mx|1/2,1/2,0)' (my|1/2,1/2,0)' (mz|1/2,1/2,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16r (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x+1/2,y+1/2,-z;mx,-my,mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z;mx,-my,mz) (x+1/2,y+1/2,-z;mx,my,-mz) 8q (x,y,1/2;0,0,mz) (x,-y,-1/2;0,0,-mz) (-x,y,-1/2;0,0,-mz) (-x,-y,1/2;0,0,mz) (x+1/2,y+1/2,1/2;0,0,-mz) (x+1/2,-y+1/2,-1/2;0,0,mz) (-x+1/2,y+1/2,-1/2;0,0,mz) (-x+1/2,-y+1/2,1/2;0,0,-mz) 8p (x,y,0;0,0,mz) (x,-y,0;0,0,-mz) (-x,y,0;0,0,-mz) (-x,-y,0;0,0,mz) (x+1/2,y+1/2,0;0,0,-mz) (x+1/2,-y+1/2,0;0,0,mz) (-x+1/2,y+1/2,0;0,0,mz) (-x+1/2,-y+1/2,0;0,0,-mz) 8o (x,0,z;0,my,0) (x,0,-z;0,-my,0) (-x,0,-z;0,my,0) (-x,0,z;0,-my,0) (x+1/2,1/2,z;0,-my,0) (x+1/2,1/2,-z;0,my,0) (-x+1/2,1/2,-z;0,-my,0) (-x+1/2,1/2,z;0,my,0) 8n (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (0,y,-z;-mx,0,0) (0,-y,z;-mx,0,0) (1/2,y+1/2,z;-mx,0,0) (1/2,-y+1/2,-z;-mx,0,0) (1/2,y+1/2,-z;mx,0,0) (1/2,-y+1/2,z;mx,0,0) 8m (1/4,1/4,z;mx,my,0) (1/4,-1/4,-z;mx,-my,0) (-1/4,1/4,-z;-mx,my,0) (-1/4,-1/4,z;-mx,-my,0) (-1/4,-1/4,-z;mx,my,0) (-1/4,1/4,z;mx,-my,0) (1/4,-1/4,z;-mx,my,0) (1/4,1/4,-z;-mx,-my,0) 4l (0,1/2,z;0,0,0) (0,-1/2,-z;0,0,0) (1/2,1,z;0,0,0) (1/2,0,-z;0,0,0) 4k (0,0,z;0,0,0) (0,0,-z;0,0,0) (1/2,1/2,z;0,0,0) (1/2,1/2,-z;0,0,0) 4j (0,y,1/2;0,0,0) (0,-y,-1/2;0,0,0) (1/2,y+1/2,1/2;0,0,0) (1/2,-y+1/2,-1/2;0,0,0) 4i (0,y,0;0,0,0) (0,-y,0;0,0,0) (1/2,y+1/2,0;0,0,0) (1/2,-y+1/2,0;0,0,0) 4h (x,0,1/2;0,0,0) (-x,0,-1/2;0,0,0) (x+1/2,1/2,1/2;0,0,0) (-x+1/2,1/2,-1/2;0,0,0) 4g (x,0,0;0,0,0) (-x,0,0;0,0,0) (x+1/2,1/2,0;0,0,0) (-x+1/2,1/2,0;0,0,0) 4f (1/4,1/4,1/2;0,0,0) (1/4,-1/4,-1/2;0,0,0) (-1/4,1/4,-1/2;0,0,0) (-1/4,-1/4,1/2;0,0,0) 4e (1/4,1/4,0;0,0,0) (1/4,-1/4,0;0,0,0) (-1/4,1/4,0;0,0,0) (-1/4,-1/4,0;0,0,0) 2d (0,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 2c (1/2,0,1/2;0,0,0) (1,1/2,1/2;0,0,0) 2b (1/2,0,0;0,0,0) (1,1/2,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,0;0,0,0) ---------- UNI: 47.256 Pmmm.1'_I[Immm] BNS: 47.256 P_Immm OG: 71.6.626 I_Pmmm OG-BNS transformation: (0,0,0;a,b,c) Operators (BNS): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (-1|0,0,0) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (1|1/2,1/2,1/2)' (2x|1/2,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (-1|1/2,1/2,1/2)' (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2)' (mz|1/2,1/2,1/2)' Wyckoff positions (BNS): 16o (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) 8n (x,y,0;0,0,mz) (x,-y,0;0,0,-mz) (-x,y,0;0,0,-mz) (-x,-y,0;0,0,mz) (x+1/2,y+1/2,1/2;0,0,-mz) (x+1/2,-y+1/2,1/2;0,0,mz) (-x+1/2,y+1/2,1/2;0,0,mz) (-x+1/2,-y+1/2,1/2;0,0,-mz) 8m (x,0,z;0,my,0) (x,0,-z;0,-my,0) (-x,0,-z;0,my,0) (-x,0,z;0,-my,0) (x+1/2,1/2,z+1/2;0,-my,0) (x+1/2,1/2,-z+1/2;0,my,0) (-x+1/2,1/2,-z+1/2;0,-my,0) (-x+1/2,1/2,z+1/2;0,my,0) 8l (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (0,y,-z;-mx,0,0) (0,-y,z;-mx,0,0) (1/2,y+1/2,z+1/2;-mx,0,0) (1/2,-y+1/2,-z+1/2;-mx,0,0) (1/2,y+1/2,-z+1/2;mx,0,0) (1/2,-y+1/2,z+1/2;mx,0,0) 8k (1/4,1/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) (3/4,1/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) (3/4,1/4,1/4;0,0,0) (1/4,3/4,1/4;0,0,0) (1/4,1/4,3/4;0,0,0) 4j (1/2,0,z;0,0,0) (1/2,0,-z;0,0,0) (0,1/2,z+1/2;0,0,0) (0,1/2,-z+1/2;0,0,0) 4i (0,0,z;0,0,0) (0,0,-z;0,0,0) (1/2,1/2,z+1/2;0,0,0) (1/2,1/2,-z+1/2;0,0,0) 4h (0,y,1/2;0,0,0) (0,-y,1/2;0,0,0) (1/2,y+1/2,0;0,0,0) (1/2,-y+1/2,0;0,0,0) 4g (0,y,0;0,0,0) (0,-y,0;0,0,0) (1/2,y+1/2,1/2;0,0,0) (1/2,-y+1/2,1/2;0,0,0) 4f (x,1/2,0;0,0,0) (-x,1/2,0;0,0,0) (x+1/2,0,1/2;0,0,0) (-x+1/2,0,1/2;0,0,0) 4e (x,0,0;0,0,0) (-x,0,0;0,0,0) (x+1/2,1/2,1/2;0,0,0) (-x+1/2,1/2,1/2;0,0,0) 2d (1/2,0,1/2;0,0,0) (0,1/2,0;0,0,0) 2c (1/2,1/2,0;0,0,0) (0,0,1/2;0,0,0) 2b (0,1/2,1/2;0,0,0) (1/2,0,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (-1|0,0,0) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (1|1/2,1/2,1/2)' (2x|1/2,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (-1|1/2,1/2,1/2)' (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2)' (mz|1/2,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16o (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) 8n (x,y,0;0,0,mz) (x,-y,0;0,0,-mz) (-x,y,0;0,0,-mz) (-x,-y,0;0,0,mz) (x+1/2,y+1/2,1/2;0,0,-mz) (x+1/2,-y+1/2,1/2;0,0,mz) (-x+1/2,y+1/2,1/2;0,0,mz) (-x+1/2,-y+1/2,1/2;0,0,-mz) 8m (x,0,z;0,my,0) (x,0,-z;0,-my,0) (-x,0,-z;0,my,0) (-x,0,z;0,-my,0) (x+1/2,1/2,z+1/2;0,-my,0) (x+1/2,1/2,-z+1/2;0,my,0) (-x+1/2,1/2,-z+1/2;0,-my,0) (-x+1/2,1/2,z+1/2;0,my,0) 8l (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (0,y,-z;-mx,0,0) (0,-y,z;-mx,0,0) (1/2,y+1/2,z+1/2;-mx,0,0) (1/2,-y+1/2,-z+1/2;-mx,0,0) (1/2,y+1/2,-z+1/2;mx,0,0) (1/2,-y+1/2,z+1/2;mx,0,0) 8k (1/4,1/4,1/4;0,0,0) (1/4,-1/4,-1/4;0,0,0) (-1/4,1/4,-1/4;0,0,0) (-1/4,-1/4,1/4;0,0,0) (-1/4,-1/4,-1/4;0,0,0) (-1/4,1/4,1/4;0,0,0) (1/4,-1/4,1/4;0,0,0) (1/4,1/4,-1/4;0,0,0) 4j (1/2,0,z;0,0,0) (1/2,0,-z;0,0,0) (1,1/2,z+1/2;0,0,0) (1,1/2,-z+1/2;0,0,0) 4i (0,0,z;0,0,0) (0,0,-z;0,0,0) (1/2,1/2,z+1/2;0,0,0) (1/2,1/2,-z+1/2;0,0,0) 4h (0,y,1/2;0,0,0) (0,-y,-1/2;0,0,0) (1/2,y+1/2,1;0,0,0) (1/2,-y+1/2,0;0,0,0) 4g (0,y,0;0,0,0) (0,-y,0;0,0,0) (1/2,y+1/2,1/2;0,0,0) (1/2,-y+1/2,1/2;0,0,0) 4f (x,1/2,0;0,0,0) (-x,1/2,0;0,0,0) (x+1/2,1,1/2;0,0,0) (-x+1/2,1,1/2;0,0,0) 4e (x,0,0;0,0,0) (-x,0,0;0,0,0) (x+1/2,1/2,1/2;0,0,0) (-x+1/2,1/2,1/2;0,0,0) 2d (1/2,0,1/2;0,0,0) (1,1/2,1;0,0,0) 2c (1/2,1/2,0;0,0,0) (1,1,1/2;0,0,0) 2b (0,1/2,1/2;0,0,0) (1/2,1,1;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) ---------- UNI: 48.257 Pnnn.1 BNS: 48.257 Pnnn OG: 48.1.358 Pnnn Operators: (1|0,0,0) (2x|0,1/2,1/2) (2y|1/2,0,1/2) (2z|1/2,1/2,0) (-1|0,0,0) (mx|0,1/2,1/2) (my|1/2,0,1/2) (mz|1/2,1/2,0) Wyckoff positions: 8m (x,y,z;mx,my,mz) (x,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) 4l (1/4,3/4,z;0,0,mz) (1/4,3/4,-z+1/2;0,0,-mz) (3/4,1/4,-z;0,0,mz) (3/4,1/4,z+1/2;0,0,-mz) 4k (1/4,1/4,z;0,0,mz) (1/4,1/4,-z+1/2;0,0,-mz) (3/4,3/4,-z;0,0,mz) (3/4,3/4,z+1/2;0,0,-mz) 4j (3/4,y,1/4;0,my,0) (3/4,-y+1/2,1/4;0,-my,0) (1/4,-y,3/4;0,my,0) (1/4,y+1/2,3/4;0,-my,0) 4i (1/4,y,1/4;0,my,0) (1/4,-y+1/2,1/4;0,-my,0) (3/4,-y,3/4;0,my,0) (3/4,y+1/2,3/4;0,-my,0) 4h (x,1/4,3/4;mx,0,0) (-x+1/2,1/4,3/4;-mx,0,0) (-x,3/4,1/4;mx,0,0) (x+1/2,3/4,1/4;-mx,0,0) 4g (x,1/4,1/4;mx,0,0) (-x+1/2,1/4,1/4;-mx,0,0) (-x,3/4,3/4;mx,0,0) (x+1/2,3/4,3/4;-mx,0,0) 4f (0,0,0;mx,my,mz) (0,1/2,1/2;mx,-my,-mz) (1/2,0,1/2;-mx,my,-mz) (1/2,1/2,0;-mx,-my,mz) 4e (1/2,1/2,1/2;mx,my,mz) (1/2,0,0;mx,-my,-mz) (0,1/2,0;-mx,my,-mz) (0,0,1/2;-mx,-my,mz) 2d (1/4,3/4,1/4;0,0,0) (3/4,1/4,3/4;0,0,0) 2c (1/4,1/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) 2b (3/4,1/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) 2a (1/4,1/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) ---------- UNI: 48.258 Pnnn.1' BNS: 48.258 Pnnn1' OG: 48.2.359 Pnnn1' Operators: (1|0,0,0) (2x|0,1/2,1/2) (2y|1/2,0,1/2) (2z|1/2,1/2,0) (-1|0,0,0) (mx|0,1/2,1/2) (my|1/2,0,1/2) (mz|1/2,1/2,0) (1|0,0,0)' (2x|0,1/2,1/2)' (2y|1/2,0,1/2)' (2z|1/2,1/2,0)' (-1|0,0,0)' (mx|0,1/2,1/2)' (my|1/2,0,1/2)' (mz|1/2,1/2,0)' Wyckoff positions: 8m (x,y,z;0,0,0) (x,-y+1/2,-z+1/2;0,0,0) (-x+1/2,y,-z+1/2;0,0,0) (-x+1/2,-y+1/2,z;0,0,0) (-x,-y,-z;0,0,0) (-x,y+1/2,z+1/2;0,0,0) (x+1/2,-y,z+1/2;0,0,0) (x+1/2,y+1/2,-z;0,0,0) 4l (1/4,3/4,z;0,0,0) (1/4,3/4,-z+1/2;0,0,0) (3/4,1/4,-z;0,0,0) (3/4,1/4,z+1/2;0,0,0) 4k (1/4,1/4,z;0,0,0) (1/4,1/4,-z+1/2;0,0,0) (3/4,3/4,-z;0,0,0) (3/4,3/4,z+1/2;0,0,0) 4j (3/4,y,1/4;0,0,0) (3/4,-y+1/2,1/4;0,0,0) (1/4,-y,3/4;0,0,0) (1/4,y+1/2,3/4;0,0,0) 4i (1/4,y,1/4;0,0,0) (1/4,-y+1/2,1/4;0,0,0) (3/4,-y,3/4;0,0,0) (3/4,y+1/2,3/4;0,0,0) 4h (x,1/4,3/4;0,0,0) (-x+1/2,1/4,3/4;0,0,0) (-x,3/4,1/4;0,0,0) (x+1/2,3/4,1/4;0,0,0) 4g (x,1/4,1/4;0,0,0) (-x+1/2,1/4,1/4;0,0,0) (-x,3/4,3/4;0,0,0) (x+1/2,3/4,3/4;0,0,0) 4f (0,0,0;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 4e (1/2,1/2,1/2;0,0,0) (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (0,0,1/2;0,0,0) 2d (1/4,3/4,1/4;0,0,0) (3/4,1/4,3/4;0,0,0) 2c (1/4,1/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) 2b (3/4,1/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) 2a (1/4,1/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) ---------- UNI: 48.259 Pn'nn BNS: 48.259 Pn'nn OG: 48.3.360 Pn'nn Operators: (1|0,0,0) (2x|0,1/2,1/2) (2y|1/2,0,1/2)' (2z|1/2,1/2,0)' (-1|0,0,0)' (mx|0,1/2,1/2)' (my|1/2,0,1/2) (mz|1/2,1/2,0) Wyckoff positions: 8m (x,y,z;mx,my,mz) (x,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) 4l (1/4,3/4,z;mx,my,0) (1/4,3/4,-z+1/2;mx,-my,0) (3/4,1/4,-z;-mx,-my,0) (3/4,1/4,z+1/2;-mx,my,0) 4k (1/4,1/4,z;mx,my,0) (1/4,1/4,-z+1/2;mx,-my,0) (3/4,3/4,-z;-mx,-my,0) (3/4,3/4,z+1/2;-mx,my,0) 4j (3/4,y,1/4;mx,0,mz) (3/4,-y+1/2,1/4;mx,0,-mz) (1/4,-y,3/4;-mx,0,-mz) (1/4,y+1/2,3/4;-mx,0,mz) 4i (1/4,y,1/4;mx,0,mz) (1/4,-y+1/2,1/4;mx,0,-mz) (3/4,-y,3/4;-mx,0,-mz) (3/4,y+1/2,3/4;-mx,0,mz) 4h (x,1/4,3/4;mx,0,0) (-x+1/2,1/4,3/4;mx,0,0) (-x,3/4,1/4;-mx,0,0) (x+1/2,3/4,1/4;-mx,0,0) 4g (x,1/4,1/4;mx,0,0) (-x+1/2,1/4,1/4;mx,0,0) (-x,3/4,3/4;-mx,0,0) (x+1/2,3/4,3/4;-mx,0,0) 4f (0,0,0;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 4e (1/2,1/2,1/2;0,0,0) (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (0,0,1/2;0,0,0) 2d (1/4,3/4,1/4;mx,0,0) (3/4,1/4,3/4;-mx,0,0) 2c (1/4,1/4,3/4;mx,0,0) (3/4,3/4,1/4;-mx,0,0) 2b (3/4,1/4,1/4;mx,0,0) (1/4,3/4,3/4;-mx,0,0) 2a (1/4,1/4,1/4;mx,0,0) (3/4,3/4,3/4;-mx,0,0) ---------- UNI: 48.260 Pn'n'n BNS: 48.260 Pn'n'n OG: 48.4.361 Pn'n'n Operators: (1|0,0,0) (2x|0,1/2,1/2)' (2y|1/2,0,1/2)' (2z|1/2,1/2,0) (-1|0,0,0) (mx|0,1/2,1/2)' (my|1/2,0,1/2)' (mz|1/2,1/2,0) Wyckoff positions: 8m (x,y,z;mx,my,mz) (x,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z;-mx,-my,mz) 4l (1/4,3/4,z;0,0,mz) (1/4,3/4,-z+1/2;0,0,mz) (3/4,1/4,-z;0,0,mz) (3/4,1/4,z+1/2;0,0,mz) 4k (1/4,1/4,z;0,0,mz) (1/4,1/4,-z+1/2;0,0,mz) (3/4,3/4,-z;0,0,mz) (3/4,3/4,z+1/2;0,0,mz) 4j (3/4,y,1/4;mx,0,mz) (3/4,-y+1/2,1/4;-mx,0,mz) (1/4,-y,3/4;mx,0,mz) (1/4,y+1/2,3/4;-mx,0,mz) 4i (1/4,y,1/4;mx,0,mz) (1/4,-y+1/2,1/4;-mx,0,mz) (3/4,-y,3/4;mx,0,mz) (3/4,y+1/2,3/4;-mx,0,mz) 4h (x,1/4,3/4;0,my,mz) (-x+1/2,1/4,3/4;0,-my,mz) (-x,3/4,1/4;0,my,mz) (x+1/2,3/4,1/4;0,-my,mz) 4g (x,1/4,1/4;0,my,mz) (-x+1/2,1/4,1/4;0,-my,mz) (-x,3/4,3/4;0,my,mz) (x+1/2,3/4,3/4;0,-my,mz) 4f (0,0,0;mx,my,mz) (0,1/2,1/2;-mx,my,mz) (1/2,0,1/2;mx,-my,mz) (1/2,1/2,0;-mx,-my,mz) 4e (1/2,1/2,1/2;mx,my,mz) (1/2,0,0;-mx,my,mz) (0,1/2,0;mx,-my,mz) (0,0,1/2;-mx,-my,mz) 2d (1/4,3/4,1/4;0,0,mz) (3/4,1/4,3/4;0,0,mz) 2c (1/4,1/4,3/4;0,0,mz) (3/4,3/4,1/4;0,0,mz) 2b (3/4,1/4,1/4;0,0,mz) (1/4,3/4,3/4;0,0,mz) 2a (1/4,1/4,1/4;0,0,mz) (3/4,3/4,3/4;0,0,mz) ---------- UNI: 48.261 Pn'n'n' BNS: 48.261 Pn'n'n' OG: 48.5.362 Pn'n'n' Operators: (1|0,0,0) (2x|0,1/2,1/2) (2y|1/2,0,1/2) (2z|1/2,1/2,0) (-1|0,0,0)' (mx|0,1/2,1/2)' (my|1/2,0,1/2)' (mz|1/2,1/2,0)' Wyckoff positions: 8m (x,y,z;mx,my,mz) (x,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z;mx,my,-mz) 4l (1/4,3/4,z;0,0,mz) (1/4,3/4,-z+1/2;0,0,-mz) (3/4,1/4,-z;0,0,-mz) (3/4,1/4,z+1/2;0,0,mz) 4k (1/4,1/4,z;0,0,mz) (1/4,1/4,-z+1/2;0,0,-mz) (3/4,3/4,-z;0,0,-mz) (3/4,3/4,z+1/2;0,0,mz) 4j (3/4,y,1/4;0,my,0) (3/4,-y+1/2,1/4;0,-my,0) (1/4,-y,3/4;0,-my,0) (1/4,y+1/2,3/4;0,my,0) 4i (1/4,y,1/4;0,my,0) (1/4,-y+1/2,1/4;0,-my,0) (3/4,-y,3/4;0,-my,0) (3/4,y+1/2,3/4;0,my,0) 4h (x,1/4,3/4;mx,0,0) (-x+1/2,1/4,3/4;-mx,0,0) (-x,3/4,1/4;-mx,0,0) (x+1/2,3/4,1/4;mx,0,0) 4g (x,1/4,1/4;mx,0,0) (-x+1/2,1/4,1/4;-mx,0,0) (-x,3/4,3/4;-mx,0,0) (x+1/2,3/4,3/4;mx,0,0) 4f (0,0,0;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 4e (1/2,1/2,1/2;0,0,0) (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (0,0,1/2;0,0,0) 2d (1/4,3/4,1/4;0,0,0) (3/4,1/4,3/4;0,0,0) 2c (1/4,1/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) 2b (3/4,1/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) 2a (1/4,1/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) ---------- UNI: 48.262 Pnnn.1'_c[Pban] BNS: 48.262 P_cnnn OG: 50.10.386 P_2cb'a'n OG-BNS transformation: (0,0,0;a,b,2c) Operators (BNS): (1|0,0,0) (2x|0,1/2,1/2) (2y|1/2,0,1/2) (2z|1/2,1/2,0) (-1|0,0,0) (mx|0,1/2,1/2) (my|1/2,0,1/2) (mz|1/2,1/2,0) (1|0,0,1/2)' (2x|0,1/2,0)' (2y|1/2,0,0)' (2z|1/2,1/2,1/2)' (-1|0,0,1/2)' (mx|0,1/2,0)' (my|1/2,0,0)' (mz|1/2,1/2,1/2)' Wyckoff positions (BNS): 16m (x,y,z;mx,my,mz) (x,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (x,y,z+1/2;-mx,-my,-mz) (x,-y+1/2,-z;-mx,my,mz) (-x+1/2,y,-z;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x,-y,-z+1/2;-mx,-my,-mz) (-x,y+1/2,z;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) 8l (1/4,3/4,z;0,0,mz) (1/4,3/4,-z+1/2;0,0,-mz) (3/4,1/4,-z;0,0,mz) (3/4,1/4,z+1/2;0,0,-mz) (1/4,3/4,z+1/2;0,0,-mz) (1/4,3/4,-z;0,0,mz) (3/4,1/4,-z+1/2;0,0,-mz) (3/4,1/4,z;0,0,mz) 8k (1/4,1/4,z;0,0,mz) (1/4,1/4,-z+1/2;0,0,-mz) (3/4,3/4,-z;0,0,mz) (3/4,3/4,z+1/2;0,0,-mz) (1/4,1/4,z+1/2;0,0,-mz) (1/4,1/4,-z;0,0,mz) (3/4,3/4,-z+1/2;0,0,-mz) (3/4,3/4,z;0,0,mz) 8j (1/4,y,1/4;0,my,0) (1/4,-y+1/2,1/4;0,-my,0) (3/4,-y,3/4;0,my,0) (3/4,y+1/2,3/4;0,-my,0) (1/4,y,3/4;0,-my,0) (1/4,-y+1/2,3/4;0,my,0) (3/4,-y,1/4;0,-my,0) (3/4,y+1/2,1/4;0,my,0) 8i (1/4,y,0;mx,0,mz) (1/4,-y+1/2,1/2;mx,0,-mz) (1/4,y,1/2;-mx,0,-mz) (1/4,-y+1/2,0;-mx,0,mz) (3/4,-y,0;mx,0,mz) (3/4,y+1/2,1/2;mx,0,-mz) (3/4,-y,1/2;-mx,0,-mz) (3/4,y+1/2,0;-mx,0,mz) 8h (x,1/4,1/4;mx,0,0) (-x+1/2,1/4,1/4;-mx,0,0) (-x,3/4,3/4;mx,0,0) (x+1/2,3/4,3/4;-mx,0,0) (x,1/4,3/4;-mx,0,0) (-x+1/2,1/4,3/4;mx,0,0) (-x,3/4,1/4;-mx,0,0) (x+1/2,3/4,1/4;mx,0,0) 8g (x,1/4,0;0,my,mz) (x,1/4,1/2;0,-my,-mz) (-x+1/2,1/4,1/2;0,my,-mz) (-x+1/2,1/4,0;0,-my,mz) (-x,3/4,0;0,my,mz) (-x,3/4,1/2;0,-my,-mz) (x+1/2,3/4,1/2;0,my,-mz) (x+1/2,3/4,0;0,-my,mz) 8f (0,0,1/4;0,0,0) (0,1/2,1/4;0,0,0) (1/2,0,1/4;0,0,0) (1/2,1/2,1/4;0,0,0) (0,0,3/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,0,3/4;0,0,0) (1/2,1/2,3/4;0,0,0) 8e (0,0,0;mx,my,mz) (0,1/2,1/2;mx,-my,-mz) (1/2,0,1/2;-mx,my,-mz) (1/2,1/2,0;-mx,-my,mz) (0,0,1/2;-mx,-my,-mz) (0,1/2,0;-mx,my,mz) (1/2,0,0;mx,-my,mz) (1/2,1/2,1/2;mx,my,-mz) 4d (1/4,1/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) (1/4,1/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) 4c (3/4,1/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) (3/4,1/4,3/4;0,0,0) (1/4,3/4,1/4;0,0,0) 4b (3/4,1/4,0;0,0,mz) (3/4,1/4,1/2;0,0,-mz) (1/4,3/4,0;0,0,mz) (1/4,3/4,1/2;0,0,-mz) 4a (1/4,1/4,0;0,0,mz) (1/4,1/4,1/2;0,0,-mz) (3/4,3/4,0;0,0,mz) (3/4,3/4,1/2;0,0,-mz) Operators (OG): (1|0,0,0) (2x|0,1/2,1) (2y|1/2,0,1) (2z|1/2,1/2,0) (-1|0,0,0) (mx|0,1/2,1) (my|1/2,0,1) (mz|1/2,1/2,0) (1|0,0,1)' (2x|0,1/2,0)' (2y|1/2,0,0)' (2z|1/2,1/2,1)' (-1|0,0,1)' (mx|0,1/2,0)' (my|1/2,0,0)' (mz|1/2,1/2,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 16m (x,y,z;mx,my,mz) (x,-y+1/2,-z+1;mx,-my,-mz) (-x+1/2,y,-z+1;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y+1/2,z+1;mx,-my,-mz) (x+1/2,-y,z+1;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (x,y,z+1;-mx,-my,-mz) (x,-y+1/2,-z;-mx,my,mz) (-x+1/2,y,-z;mx,-my,mz) (-x+1/2,-y+1/2,z+1;mx,my,-mz) (-x,-y,-z+1;-mx,-my,-mz) (-x,y+1/2,z;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) (x+1/2,y+1/2,-z+1;mx,my,-mz) 8l (1/4,3/4,z;0,0,mz) (1/4,-1/4,-z+1;0,0,-mz) (-1/4,-3/4,-z;0,0,mz) (-1/4,5/4,z+1;0,0,-mz) (1/4,3/4,z+1;0,0,-mz) (1/4,-1/4,-z;0,0,mz) (-1/4,-3/4,-z+1;0,0,-mz) (-1/4,5/4,z;0,0,mz) 8k (1/4,1/4,z;0,0,mz) (1/4,1/4,-z+1;0,0,-mz) (-1/4,-1/4,-z;0,0,mz) (-1/4,3/4,z+1;0,0,-mz) (1/4,1/4,z+1;0,0,-mz) (1/4,1/4,-z;0,0,mz) (-1/4,-1/4,-z+1;0,0,-mz) (-1/4,3/4,z;0,0,mz) 8j (1/4,y,1/2;0,my,0) (1/4,-y+1/2,1/2;0,-my,0) (-1/4,-y,-1/2;0,my,0) (-1/4,y+1/2,3/2;0,-my,0) (1/4,y,3/2;0,-my,0) (1/4,-y+1/2,-1/2;0,my,0) (-1/4,-y,1/2;0,-my,0) (-1/4,y+1/2,1/2;0,my,0) 8i (1/4,y,0;mx,0,mz) (1/4,-y+1/2,1;mx,0,-mz) (1/4,y,1;-mx,0,-mz) (1/4,-y+1/2,0;-mx,0,mz) (-1/4,-y,0;mx,0,mz) (-1/4,y+1/2,1;mx,0,-mz) (3/4,-y,1;-mx,0,-mz) (3/4,y+1/2,0;-mx,0,mz) 8h (x,1/4,1/2;mx,0,0) (-x+1/2,1/4,1/2;-mx,0,0) (-x,-1/4,-1/2;mx,0,0) (x+1/2,-1/4,3/2;-mx,0,0) (x,1/4,3/2;-mx,0,0) (-x+1/2,1/4,-1/2;mx,0,0) (-x,-1/4,1/2;-mx,0,0) (x+1/2,-1/4,1/2;mx,0,0) 8g (x,1/4,0;0,my,mz) (x,1/4,1;0,-my,-mz) (-x+1/2,1/4,1;0,my,-mz) (-x+1/2,1/4,0;0,-my,mz) (-x,-1/4,0;0,my,mz) (-x,3/4,1;0,-my,-mz) (x+1/2,-1/4,1;0,my,-mz) (x+1/2,3/4,0;0,-my,mz) 8f (0,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) (0,0,-1/2;0,0,0) (0,1/2,3/2;0,0,0) (1/2,0,3/2;0,0,0) (1/2,1/2,-1/2;0,0,0) 8e (0,0,0;mx,my,mz) (0,1/2,1;mx,-my,-mz) (1/2,0,1;-mx,my,-mz) (1/2,1/2,0;-mx,-my,mz) (0,0,1;-mx,-my,-mz) (0,1/2,0;-mx,my,mz) (1/2,0,0;mx,-my,mz) (1/2,1/2,1;mx,my,-mz) 4d (1/4,1/4,1/2;0,0,0) (-1/4,-1/4,-1/2;0,0,0) (1/4,1/4,3/2;0,0,0) (-1/4,-1/4,1/2;0,0,0) 4c (3/4,1/4,1/2;0,0,0) (-3/4,-1/4,-1/2;0,0,0) (3/4,1/4,3/2;0,0,0) (-3/4,-1/4,1/2;0,0,0) 4b (3/4,1/4,0;0,0,mz) (3/4,1/4,1;0,0,-mz) (-3/4,-1/4,0;0,0,mz) (-3/4,3/4,1;0,0,-mz) 4a (1/4,1/4,0;0,0,mz) (1/4,1/4,1;0,0,-mz) (-1/4,-1/4,0;0,0,mz) (-1/4,3/4,1;0,0,-mz) ---------- UNI: 48.263 Pnnn.1'_C[Cccm] BNS: 48.263 P_Cnnn OG: 66.13.576 C_Pc'c'm' OG-BNS transformation: (-1/4,-1/4,0;a,b,c) Operators (BNS): (1|0,0,0) (2x|0,1/2,1/2) (2y|1/2,0,1/2) (2z|1/2,1/2,0) (-1|0,0,0) (mx|0,1/2,1/2) (my|1/2,0,1/2) (mz|1/2,1/2,0) (1|1/2,1/2,0)' (2x|1/2,0,1/2)' (2y|0,1/2,1/2)' (2z|0,0,0)' (-1|1/2,1/2,0)' (mx|1/2,0,1/2)' (my|0,1/2,1/2)' (mz|0,0,0)' Wyckoff positions (BNS): 16m (x,y,z;mx,my,mz) (x,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x+1/2,-y,-z+1/2;-mx,my,mz) (-x,y+1/2,-z+1/2;mx,-my,mz) (-x,-y,z;mx,my,-mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x,-y+1/2,z+1/2;mx,-my,mz) (x,y,-z;mx,my,-mz) 8l (x,y,0;mx,my,0) (x,-y+1/2,1/2;mx,-my,0) (-x+1/2,y,1/2;-mx,my,0) (-x+1/2,-y+1/2,0;-mx,-my,0) (-x,-y,0;mx,my,0) (-x,y+1/2,1/2;mx,-my,0) (x+1/2,-y,1/2;-mx,my,0) (x+1/2,y+1/2,0;-mx,-my,0) 8k (1/2,1/2,z;mx,my,0) (1/2,0,-z+1/2;mx,-my,0) (0,1/2,-z+1/2;-mx,my,0) (0,0,z;-mx,-my,0) (1/2,1/2,-z;mx,my,0) (1/2,0,z+1/2;mx,-my,0) (0,1/2,z+1/2;-mx,my,0) (0,0,-z;-mx,-my,0) 8j (1/4,3/4,z;0,0,mz) (1/4,3/4,-z+1/2;0,0,-mz) (3/4,1/4,-z;0,0,mz) (3/4,1/4,z+1/2;0,0,-mz) (3/4,1/4,z;0,0,-mz) (3/4,1/4,-z+1/2;0,0,mz) (1/4,3/4,-z;0,0,-mz) (1/4,3/4,z+1/2;0,0,mz) 8i (1/4,1/4,z;0,0,mz) (1/4,1/4,-z+1/2;0,0,-mz) (3/4,3/4,-z;0,0,mz) (3/4,3/4,z+1/2;0,0,-mz) (3/4,3/4,z;0,0,-mz) (3/4,3/4,-z+1/2;0,0,mz) (1/4,1/4,-z;0,0,-mz) (1/4,1/4,z+1/2;0,0,mz) 8h (1/4,y,1/4;0,my,0) (1/4,-y+1/2,1/4;0,-my,0) (3/4,-y,3/4;0,my,0) (3/4,y+1/2,3/4;0,-my,0) (3/4,y+1/2,1/4;0,-my,0) (3/4,-y,1/4;0,my,0) (1/4,-y+1/2,3/4;0,-my,0) (1/4,y,3/4;0,my,0) 8g (x,1/4,1/4;mx,0,0) (-x+1/2,1/4,1/4;-mx,0,0) (-x,3/4,3/4;mx,0,0) (x+1/2,3/4,3/4;-mx,0,0) (x+1/2,3/4,1/4;-mx,0,0) (-x,3/4,1/4;mx,0,0) (-x+1/2,1/4,3/4;-mx,0,0) (x,1/4,3/4;mx,0,0) 4f (1/2,0,0;mx,my,0) (1/2,1/2,1/2;mx,-my,0) (0,0,1/2;-mx,my,0) (0,1/2,0;-mx,-my,0) 4e (1/2,1/2,0;mx,my,0) (1/2,0,1/2;mx,-my,0) (0,1/2,1/2;-mx,my,0) (0,0,0;-mx,-my,0) 4d (1/4,3/4,0;0,0,0) (1/4,3/4,1/2;0,0,0) (3/4,1/4,0;0,0,0) (3/4,1/4,1/2;0,0,0) 4c (1/4,1/4,0;0,0,0) (1/4,1/4,1/2;0,0,0) (3/4,3/4,0;0,0,0) (3/4,3/4,1/2;0,0,0) 4b (1/4,3/4,1/4;0,0,0) (3/4,1/4,3/4;0,0,0) (3/4,1/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) 4a (1/4,1/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) (1/4,1/4,3/4;0,0,0) Operators (OG): (1|0,0,0) (2x|0,0,1/2) (2y|0,0,1/2) (2z|0,0,0) (-1|1/2,1/2,0) (mx|1/2,1/2,1/2) (my|1/2,1/2,1/2) (mz|1/2,1/2,0) (1|1/2,1/2,0)' (2x|1/2,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|1/2,1/2,0)' (-1|0,0,0)' (mx|0,0,1/2)' (my|0,0,1/2)' (mz|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16m (x,y,z;mx,my,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,-y+1/2,-z;mx,my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (x,y,-z;mx,my,-mz) 8l (x,y,0;mx,my,0) (x,-y,1/2;mx,-my,0) (-x,y,1/2;-mx,my,0) (-x,-y,0;-mx,-my,0) (-x+1/2,-y+1/2,0;mx,my,0) (-x+1/2,y+1/2,1/2;mx,-my,0) (x+1/2,-y+1/2,1/2;-mx,my,0) (x+1/2,y+1/2,0;-mx,-my,0) 8k (1/4,1/4,z;mx,my,0) (1/4,-1/4,-z+1/2;mx,-my,0) (-1/4,1/4,-z+1/2;-mx,my,0) (-1/4,-1/4,z;-mx,-my,0) (1/4,1/4,-z;mx,my,0) (1/4,3/4,z+1/2;mx,-my,0) (3/4,1/4,z+1/2;-mx,my,0) (3/4,3/4,-z;-mx,-my,0) 8j (0,1/2,z;0,0,mz) (0,-1/2,-z+1/2;0,0,-mz) (1/2,0,-z;0,0,mz) (1/2,1,z+1/2;0,0,-mz) (1/2,1,z;0,0,-mz) (1/2,0,-z+1/2;0,0,mz) (0,-1/2,-z;0,0,-mz) (0,1/2,z+1/2;0,0,mz) 8i (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (1/2,1/2,-z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) (1/2,1/2,z;0,0,-mz) (1/2,1/2,-z+1/2;0,0,mz) (0,0,-z;0,0,-mz) (0,0,z+1/2;0,0,mz) 8h (0,y,1/4;0,my,0) (0,-y,1/4;0,-my,0) (1/2,-y+1/2,-1/4;0,my,0) (1/2,y+1/2,3/4;0,-my,0) (1/2,y+1/2,1/4;0,-my,0) (1/2,-y+1/2,1/4;0,my,0) (0,-y,-1/4;0,-my,0) (0,y,3/4;0,my,0) 8g (x,0,1/4;mx,0,0) (-x,0,1/4;-mx,0,0) (-x+1/2,1/2,-1/4;mx,0,0) (x+1/2,1/2,3/4;-mx,0,0) (x+1/2,1/2,1/4;-mx,0,0) (-x+1/2,1/2,1/4;mx,0,0) (-x,0,-1/4;-mx,0,0) (x,0,3/4;mx,0,0) 4f (1/4,3/4,0;mx,my,0) (1/4,-3/4,1/2;mx,-my,0) (-1/4,3/4,1/2;-mx,my,0) (-1/4,-3/4,0;-mx,-my,0) 4e (1/4,1/4,0;mx,my,0) (1/4,-1/4,1/2;mx,-my,0) (-1/4,1/4,1/2;-mx,my,0) (-1/4,-1/4,0;-mx,-my,0) 4d (0,1/2,0;0,0,0) (0,-1/2,1/2;0,0,0) (1/2,0,0;0,0,0) (1/2,1,1/2;0,0,0) 4c (0,0,0;0,0,0) (0,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 4b (0,1/2,1/4;0,0,0) (1/2,0,-1/4;0,0,0) (1/2,1,1/4;0,0,0) (0,-1/2,-1/4;0,0,0) 4a (0,0,1/4;0,0,0) (1/2,1/2,-1/4;0,0,0) (1/2,1/2,1/4;0,0,0) (0,0,-1/4;0,0,0) ---------- UNI: 48.264 Pnnn.1'_I[Immm] BNS: 48.264 P_Innn OG: 71.9.629 I_Pm'm'm' OG-BNS transformation: (-1/4,-1/4,-1/4;a,b,c) Operators (BNS): (1|0,0,0) (2x|0,1/2,1/2) (2y|1/2,0,1/2) (2z|1/2,1/2,0) (-1|0,0,0) (mx|0,1/2,1/2) (my|1/2,0,1/2) (mz|1/2,1/2,0) (1|1/2,1/2,1/2)' (2x|1/2,0,0)' (2y|0,1/2,0)' (2z|0,0,1/2)' (-1|1/2,1/2,1/2)' (mx|1/2,0,0)' (my|0,1/2,0)' (mz|0,0,1/2)' Wyckoff positions (BNS): 16o (x,y,z;mx,my,mz) (x,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x+1/2,-y,-z;-mx,my,mz) (-x,y+1/2,-z;mx,-my,mz) (-x,-y,z+1/2;mx,my,-mz) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (-x+1/2,y,z;-mx,my,mz) (x,-y+1/2,z;mx,-my,mz) (x,y,-z+1/2;mx,my,-mz) 8n (x,y,1/4;mx,my,0) (x,-y+1/2,1/4;mx,-my,0) (-x+1/2,y,1/4;-mx,my,0) (-x+1/2,-y+1/2,1/4;-mx,-my,0) (-x,-y,3/4;mx,my,0) (-x,y+1/2,3/4;mx,-my,0) (x+1/2,-y,3/4;-mx,my,0) (x+1/2,y+1/2,3/4;-mx,-my,0) 8m (x,1/4,z;mx,0,mz) (x,1/4,-z+1/2;mx,0,-mz) (-x+1/2,1/4,-z+1/2;-mx,0,-mz) (-x+1/2,1/4,z;-mx,0,mz) (-x,3/4,-z;mx,0,mz) (-x,3/4,z+1/2;mx,0,-mz) (x+1/2,3/4,z+1/2;-mx,0,-mz) (x+1/2,3/4,-z;-mx,0,mz) 8l (1/4,y,z;0,my,mz) (1/4,-y+1/2,-z+1/2;0,-my,-mz) (1/4,y,-z+1/2;0,my,-mz) (1/4,-y+1/2,z;0,-my,mz) (3/4,-y,-z;0,my,mz) (3/4,y+1/2,z+1/2;0,-my,-mz) (3/4,-y,z+1/2;0,my,-mz) (3/4,y+1/2,-z;0,-my,mz) 8k (1/2,1/2,1/2;mx,my,mz) (1/2,0,0;mx,-my,-mz) (0,1/2,0;-mx,my,-mz) (0,0,1/2;-mx,-my,mz) (0,0,0;-mx,-my,-mz) (0,1/2,1/2;-mx,my,mz) (1/2,0,1/2;mx,-my,mz) (1/2,1/2,0;mx,my,-mz) 4j (3/4,1/4,z;0,0,mz) (3/4,1/4,-z+1/2;0,0,-mz) (1/4,3/4,-z;0,0,mz) (1/4,3/4,z+1/2;0,0,-mz) 4i (1/4,1/4,z;0,0,mz) (1/4,1/4,-z+1/2;0,0,-mz) (3/4,3/4,-z;0,0,mz) (3/4,3/4,z+1/2;0,0,-mz) 4h (1/4,y,3/4;0,my,0) (1/4,-y+1/2,3/4;0,-my,0) (3/4,-y,1/4;0,my,0) (3/4,y+1/2,1/4;0,-my,0) 4g (1/4,y,1/4;0,my,0) (1/4,-y+1/2,1/4;0,-my,0) (3/4,-y,3/4;0,my,0) (3/4,y+1/2,3/4;0,-my,0) 4f (x,3/4,1/4;mx,0,0) (-x+1/2,3/4,1/4;-mx,0,0) (-x,1/4,3/4;mx,0,0) (x+1/2,1/4,3/4;-mx,0,0) 4e (x,1/4,1/4;mx,0,0) (-x+1/2,1/4,1/4;-mx,0,0) (-x,3/4,3/4;mx,0,0) (x+1/2,3/4,3/4;-mx,0,0) 2d (3/4,1/4,3/4;0,0,0) (1/4,3/4,1/4;0,0,0) 2c (3/4,3/4,1/4;0,0,0) (1/4,1/4,3/4;0,0,0) 2b (1/4,3/4,3/4;0,0,0) (3/4,1/4,1/4;0,0,0) 2a (1/4,1/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (-1|1/2,1/2,1/2) (mx|1/2,1/2,1/2) (my|1/2,1/2,1/2) (mz|1/2,1/2,1/2) (1|1/2,1/2,1/2)' (2x|1/2,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (-1|0,0,0)' (mx|0,0,0)' (my|0,0,0)' (mz|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16o (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,-y+1/2,-z+1/2;mx,my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z+1/2;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x,y,-z;mx,my,-mz) 8n (x,y,0;mx,my,0) (x,-y,0;mx,-my,0) (-x,y,0;-mx,my,0) (-x,-y,0;-mx,-my,0) (-x+1/2,-y+1/2,1/2;mx,my,0) (-x+1/2,y+1/2,1/2;mx,-my,0) (x+1/2,-y+1/2,1/2;-mx,my,0) (x+1/2,y+1/2,1/2;-mx,-my,0) 8m (x,0,z;mx,0,mz) (x,0,-z;mx,0,-mz) (-x,0,-z;-mx,0,-mz) (-x,0,z;-mx,0,mz) (-x+1/2,1/2,-z+1/2;mx,0,mz) (-x+1/2,1/2,z+1/2;mx,0,-mz) (x+1/2,1/2,z+1/2;-mx,0,-mz) (x+1/2,1/2,-z+1/2;-mx,0,mz) 8l (0,y,z;0,my,mz) (0,-y,-z;0,-my,-mz) (0,y,-z;0,my,-mz) (0,-y,z;0,-my,mz) (1/2,-y+1/2,-z+1/2;0,my,mz) (1/2,y+1/2,z+1/2;0,-my,-mz) (1/2,-y+1/2,z+1/2;0,my,-mz) (1/2,y+1/2,-z+1/2;0,-my,mz) 8k (1/4,1/4,1/4;mx,my,mz) (1/4,-1/4,-1/4;mx,-my,-mz) (-1/4,1/4,-1/4;-mx,my,-mz) (-1/4,-1/4,1/4;-mx,-my,mz) (3/4,3/4,3/4;-mx,-my,-mz) (3/4,1/4,1/4;-mx,my,mz) (1/4,3/4,1/4;mx,-my,mz) (1/4,1/4,3/4;mx,my,-mz) 4j (1/2,0,z;0,0,mz) (1/2,0,-z;0,0,-mz) (0,1/2,-z+1/2;0,0,mz) (0,1/2,z+1/2;0,0,-mz) 4i (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) (1/2,1/2,-z+1/2;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) 4h (0,y,1/2;0,my,0) (0,-y,-1/2;0,-my,0) (1/2,-y+1/2,0;0,my,0) (1/2,y+1/2,1;0,-my,0) 4g (0,y,0;0,my,0) (0,-y,0;0,-my,0) (1/2,-y+1/2,1/2;0,my,0) (1/2,y+1/2,1/2;0,-my,0) 4f (x,1/2,0;mx,0,0) (-x,1/2,0;-mx,0,0) (-x+1/2,0,1/2;mx,0,0) (x+1/2,0,1/2;-mx,0,0) 4e (x,0,0;mx,0,0) (-x,0,0;-mx,0,0) (-x+1/2,1/2,1/2;mx,0,0) (x+1/2,1/2,1/2;-mx,0,0) 2d (1/2,0,1/2;0,0,0) (0,1/2,0;0,0,0) 2c (1/2,1/2,0;0,0,0) (0,0,1/2;0,0,0) 2b (0,1/2,1/2;0,0,0) (1/2,0,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) ---------- UNI: 49.265 Pccm.1 BNS: 49.265 Pccm OG: 49.1.364 Pccm Operators: (1|0,0,0) (2x|0,0,1/2) (2y|0,0,1/2) (2z|0,0,0) (-1|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (mz|0,0,0) Wyckoff positions: 8r (x,y,z;mx,my,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,-z;-mx,-my,mz) 4q (x,y,0;0,0,mz) (x,-y,1/2;0,0,-mz) (-x,y,1/2;0,0,-mz) (-x,-y,0;0,0,mz) 4p (1/2,0,z;0,0,mz) (1/2,0,-z+1/2;0,0,-mz) (1/2,0,-z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) 4o (0,1/2,z;0,0,mz) (0,1/2,-z+1/2;0,0,-mz) (0,1/2,-z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) 4n (1/2,1/2,z;0,0,mz) (1/2,1/2,-z+1/2;0,0,-mz) (1/2,1/2,-z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) 4m (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (0,0,z+1/2;0,0,-mz) 4l (1/2,y,1/4;0,my,0) (1/2,-y,1/4;0,-my,0) (1/2,-y,3/4;0,my,0) (1/2,y,3/4;0,-my,0) 4k (0,y,1/4;0,my,0) (0,-y,1/4;0,-my,0) (0,-y,3/4;0,my,0) (0,y,3/4;0,-my,0) 4j (x,1/2,1/4;mx,0,0) (-x,1/2,1/4;-mx,0,0) (-x,1/2,3/4;mx,0,0) (x,1/2,3/4;-mx,0,0) 4i (x,0,1/4;mx,0,0) (-x,0,1/4;-mx,0,0) (-x,0,3/4;mx,0,0) (x,0,3/4;-mx,0,0) 2h (1/2,1/2,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) 2g (0,1/2,1/4;0,0,0) (0,1/2,3/4;0,0,0) 2f (1/2,0,1/4;0,0,0) (1/2,0,3/4;0,0,0) 2e (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 2d (1/2,0,0;0,0,mz) (1/2,0,1/2;0,0,-mz) 2c (0,1/2,0;0,0,mz) (0,1/2,1/2;0,0,-mz) 2b (1/2,1/2,0;0,0,mz) (1/2,1/2,1/2;0,0,-mz) 2a (0,0,0;0,0,mz) (0,0,1/2;0,0,-mz) ---------- UNI: 49.266 Pccm.1' BNS: 49.266 Pccm1' OG: 49.2.365 Pccm1' Operators: (1|0,0,0) (2x|0,0,1/2) (2y|0,0,1/2) (2z|0,0,0) (-1|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (mz|0,0,0) (1|0,0,0)' (2x|0,0,1/2)' (2y|0,0,1/2)' (2z|0,0,0)' (-1|0,0,0)' (mx|0,0,1/2)' (my|0,0,1/2)' (mz|0,0,0)' Wyckoff positions: 8r (x,y,z;0,0,0) (x,-y,-z+1/2;0,0,0) (-x,y,-z+1/2;0,0,0) (-x,-y,z;0,0,0) (-x,-y,-z;0,0,0) (-x,y,z+1/2;0,0,0) (x,-y,z+1/2;0,0,0) (x,y,-z;0,0,0) 4q (x,y,0;0,0,0) (x,-y,1/2;0,0,0) (-x,y,1/2;0,0,0) (-x,-y,0;0,0,0) 4p (1/2,0,z;0,0,0) (1/2,0,-z+1/2;0,0,0) (1/2,0,-z;0,0,0) (1/2,0,z+1/2;0,0,0) 4o (0,1/2,z;0,0,0) (0,1/2,-z+1/2;0,0,0) (0,1/2,-z;0,0,0) (0,1/2,z+1/2;0,0,0) 4n (1/2,1/2,z;0,0,0) (1/2,1/2,-z+1/2;0,0,0) (1/2,1/2,-z;0,0,0) (1/2,1/2,z+1/2;0,0,0) 4m (0,0,z;0,0,0) (0,0,-z+1/2;0,0,0) (0,0,-z;0,0,0) (0,0,z+1/2;0,0,0) 4l (1/2,y,1/4;0,0,0) (1/2,-y,1/4;0,0,0) (1/2,-y,3/4;0,0,0) (1/2,y,3/4;0,0,0) 4k (0,y,1/4;0,0,0) (0,-y,1/4;0,0,0) (0,-y,3/4;0,0,0) (0,y,3/4;0,0,0) 4j (x,1/2,1/4;0,0,0) (-x,1/2,1/4;0,0,0) (-x,1/2,3/4;0,0,0) (x,1/2,3/4;0,0,0) 4i (x,0,1/4;0,0,0) (-x,0,1/4;0,0,0) (-x,0,3/4;0,0,0) (x,0,3/4;0,0,0) 2h (1/2,1/2,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) 2g (0,1/2,1/4;0,0,0) (0,1/2,3/4;0,0,0) 2f (1/2,0,1/4;0,0,0) (1/2,0,3/4;0,0,0) 2e (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 2d (1/2,0,0;0,0,0) (1/2,0,1/2;0,0,0) 2c (0,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) 2b (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 2a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- UNI: 49.267 Pc'cm BNS: 49.267 Pc'cm OG: 49.3.366 Pc'cm Operators: (1|0,0,0) (2x|0,0,1/2) (2y|0,0,1/2)' (2z|0,0,0)' (-1|0,0,0)' (mx|0,0,1/2)' (my|0,0,1/2) (mz|0,0,0) Wyckoff positions: 8r (x,y,z;mx,my,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,-z;-mx,-my,mz) 4q (x,y,0;0,0,mz) (x,-y,1/2;0,0,-mz) (-x,y,1/2;0,0,mz) (-x,-y,0;0,0,-mz) 4p (1/2,0,z;mx,my,0) (1/2,0,-z+1/2;mx,-my,0) (1/2,0,-z;-mx,-my,0) (1/2,0,z+1/2;-mx,my,0) 4o (0,1/2,z;mx,my,0) (0,1/2,-z+1/2;mx,-my,0) (0,1/2,-z;-mx,-my,0) (0,1/2,z+1/2;-mx,my,0) 4n (1/2,1/2,z;mx,my,0) (1/2,1/2,-z+1/2;mx,-my,0) (1/2,1/2,-z;-mx,-my,0) (1/2,1/2,z+1/2;-mx,my,0) 4m (0,0,z;mx,my,0) (0,0,-z+1/2;mx,-my,0) (0,0,-z;-mx,-my,0) (0,0,z+1/2;-mx,my,0) 4l (1/2,y,1/4;mx,0,mz) (1/2,-y,1/4;mx,0,-mz) (1/2,-y,3/4;-mx,0,-mz) (1/2,y,3/4;-mx,0,mz) 4k (0,y,1/4;mx,0,mz) (0,-y,1/4;mx,0,-mz) (0,-y,3/4;-mx,0,-mz) (0,y,3/4;-mx,0,mz) 4j (x,1/2,1/4;mx,0,0) (-x,1/2,1/4;mx,0,0) (-x,1/2,3/4;-mx,0,0) (x,1/2,3/4;-mx,0,0) 4i (x,0,1/4;mx,0,0) (-x,0,1/4;mx,0,0) (-x,0,3/4;-mx,0,0) (x,0,3/4;-mx,0,0) 2h (1/2,1/2,1/4;mx,0,0) (1/2,1/2,3/4;-mx,0,0) 2g (0,1/2,1/4;mx,0,0) (0,1/2,3/4;-mx,0,0) 2f (1/2,0,1/4;mx,0,0) (1/2,0,3/4;-mx,0,0) 2e (0,0,1/4;mx,0,0) (0,0,3/4;-mx,0,0) 2d (1/2,0,0;0,0,0) (1/2,0,1/2;0,0,0) 2c (0,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) 2b (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 2a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- UNI: 49.268 Pccm' BNS: 49.268 Pccm' OG: 49.4.367 Pccm' Operators: (1|0,0,0) (2x|0,0,1/2)' (2y|0,0,1/2)' (2z|0,0,0) (-1|0,0,0)' (mx|0,0,1/2) (my|0,0,1/2) (mz|0,0,0)' Wyckoff positions: 8r (x,y,z;mx,my,mz) (x,-y,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,-z;mx,my,-mz) 4q (x,y,0;mx,my,0) (x,-y,1/2;-mx,my,0) (-x,y,1/2;mx,-my,0) (-x,-y,0;-mx,-my,0) 4p (1/2,0,z;0,0,mz) (1/2,0,-z+1/2;0,0,mz) (1/2,0,-z;0,0,-mz) (1/2,0,z+1/2;0,0,-mz) 4o (0,1/2,z;0,0,mz) (0,1/2,-z+1/2;0,0,mz) (0,1/2,-z;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) 4n (1/2,1/2,z;0,0,mz) (1/2,1/2,-z+1/2;0,0,mz) (1/2,1/2,-z;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) 4m (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,mz) (0,0,-z;0,0,-mz) (0,0,z+1/2;0,0,-mz) 4l (1/2,y,1/4;mx,0,mz) (1/2,-y,1/4;-mx,0,mz) (1/2,-y,3/4;-mx,0,-mz) (1/2,y,3/4;mx,0,-mz) 4k (0,y,1/4;mx,0,mz) (0,-y,1/4;-mx,0,mz) (0,-y,3/4;-mx,0,-mz) (0,y,3/4;mx,0,-mz) 4j (x,1/2,1/4;0,my,mz) (-x,1/2,1/4;0,-my,mz) (-x,1/2,3/4;0,-my,-mz) (x,1/2,3/4;0,my,-mz) 4i (x,0,1/4;0,my,mz) (-x,0,1/4;0,-my,mz) (-x,0,3/4;0,-my,-mz) (x,0,3/4;0,my,-mz) 2h (1/2,1/2,1/4;0,0,mz) (1/2,1/2,3/4;0,0,-mz) 2g (0,1/2,1/4;0,0,mz) (0,1/2,3/4;0,0,-mz) 2f (1/2,0,1/4;0,0,mz) (1/2,0,3/4;0,0,-mz) 2e (0,0,1/4;0,0,mz) (0,0,3/4;0,0,-mz) 2d (1/2,0,0;0,0,0) (1/2,0,1/2;0,0,0) 2c (0,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) 2b (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 2a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- UNI: 49.269 Pc'c'm BNS: 49.269 Pc'c'm OG: 49.5.368 Pc'c'm Operators: (1|0,0,0) (2x|0,0,1/2)' (2y|0,0,1/2)' (2z|0,0,0) (-1|0,0,0) (mx|0,0,1/2)' (my|0,0,1/2)' (mz|0,0,0) Wyckoff positions: 8r (x,y,z;mx,my,mz) (x,-y,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (x,y,-z;-mx,-my,mz) 4q (x,y,0;0,0,mz) (x,-y,1/2;0,0,mz) (-x,y,1/2;0,0,mz) (-x,-y,0;0,0,mz) 4p (1/2,0,z;0,0,mz) (1/2,0,-z+1/2;0,0,mz) (1/2,0,-z;0,0,mz) (1/2,0,z+1/2;0,0,mz) 4o (0,1/2,z;0,0,mz) (0,1/2,-z+1/2;0,0,mz) (0,1/2,-z;0,0,mz) (0,1/2,z+1/2;0,0,mz) 4n (1/2,1/2,z;0,0,mz) (1/2,1/2,-z+1/2;0,0,mz) (1/2,1/2,-z;0,0,mz) (1/2,1/2,z+1/2;0,0,mz) 4m (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,mz) (0,0,-z;0,0,mz) (0,0,z+1/2;0,0,mz) 4l (1/2,y,1/4;mx,0,mz) (1/2,-y,1/4;-mx,0,mz) (1/2,-y,3/4;mx,0,mz) (1/2,y,3/4;-mx,0,mz) 4k (0,y,1/4;mx,0,mz) (0,-y,1/4;-mx,0,mz) (0,-y,3/4;mx,0,mz) (0,y,3/4;-mx,0,mz) 4j (x,1/2,1/4;0,my,mz) (-x,1/2,1/4;0,-my,mz) (-x,1/2,3/4;0,my,mz) (x,1/2,3/4;0,-my,mz) 4i (x,0,1/4;0,my,mz) (-x,0,1/4;0,-my,mz) (-x,0,3/4;0,my,mz) (x,0,3/4;0,-my,mz) 2h (1/2,1/2,1/4;0,0,mz) (1/2,1/2,3/4;0,0,mz) 2g (0,1/2,1/4;0,0,mz) (0,1/2,3/4;0,0,mz) 2f (1/2,0,1/4;0,0,mz) (1/2,0,3/4;0,0,mz) 2e (0,0,1/4;0,0,mz) (0,0,3/4;0,0,mz) 2d (1/2,0,0;0,0,mz) (1/2,0,1/2;0,0,mz) 2c (0,1/2,0;0,0,mz) (0,1/2,1/2;0,0,mz) 2b (1/2,1/2,0;0,0,mz) (1/2,1/2,1/2;0,0,mz) 2a (0,0,0;0,0,mz) (0,0,1/2;0,0,mz) ---------- UNI: 49.270 Pc'cm' BNS: 49.270 Pc'cm' OG: 49.6.369 Pc'cm' Operators: (1|0,0,0) (2x|0,0,1/2)' (2y|0,0,1/2) (2z|0,0,0)' (-1|0,0,0) (mx|0,0,1/2)' (my|0,0,1/2) (mz|0,0,0)' Wyckoff positions: 8r (x,y,z;mx,my,mz) (x,-y,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z;mx,my,-mz) (-x,-y,-z;mx,my,mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,-z;mx,my,-mz) 4q (x,y,0;mx,my,0) (x,-y,1/2;-mx,my,0) (-x,y,1/2;-mx,my,0) (-x,-y,0;mx,my,0) 4p (1/2,0,z;mx,my,0) (1/2,0,-z+1/2;-mx,my,0) (1/2,0,-z;mx,my,0) (1/2,0,z+1/2;-mx,my,0) 4o (0,1/2,z;mx,my,0) (0,1/2,-z+1/2;-mx,my,0) (0,1/2,-z;mx,my,0) (0,1/2,z+1/2;-mx,my,0) 4n (1/2,1/2,z;mx,my,0) (1/2,1/2,-z+1/2;-mx,my,0) (1/2,1/2,-z;mx,my,0) (1/2,1/2,z+1/2;-mx,my,0) 4m (0,0,z;mx,my,0) (0,0,-z+1/2;-mx,my,0) (0,0,-z;mx,my,0) (0,0,z+1/2;-mx,my,0) 4l (1/2,y,1/4;0,my,0) (1/2,-y,1/4;0,my,0) (1/2,-y,3/4;0,my,0) (1/2,y,3/4;0,my,0) 4k (0,y,1/4;0,my,0) (0,-y,1/4;0,my,0) (0,-y,3/4;0,my,0) (0,y,3/4;0,my,0) 4j (x,1/2,1/4;0,my,mz) (-x,1/2,1/4;0,my,-mz) (-x,1/2,3/4;0,my,mz) (x,1/2,3/4;0,my,-mz) 4i (x,0,1/4;0,my,mz) (-x,0,1/4;0,my,-mz) (-x,0,3/4;0,my,mz) (x,0,3/4;0,my,-mz) 2h (1/2,1/2,1/4;0,my,0) (1/2,1/2,3/4;0,my,0) 2g (0,1/2,1/4;0,my,0) (0,1/2,3/4;0,my,0) 2f (1/2,0,1/4;0,my,0) (1/2,0,3/4;0,my,0) 2e (0,0,1/4;0,my,0) (0,0,3/4;0,my,0) 2d (1/2,0,0;mx,my,0) (1/2,0,1/2;-mx,my,0) 2c (0,1/2,0;mx,my,0) (0,1/2,1/2;-mx,my,0) 2b (1/2,1/2,0;mx,my,0) (1/2,1/2,1/2;-mx,my,0) 2a (0,0,0;mx,my,0) (0,0,1/2;-mx,my,0) ---------- UNI: 49.271 Pc'c'm' BNS: 49.271 Pc'c'm' OG: 49.7.370 Pc'c'm' Operators: (1|0,0,0) (2x|0,0,1/2) (2y|0,0,1/2) (2z|0,0,0) (-1|0,0,0)' (mx|0,0,1/2)' (my|0,0,1/2)' (mz|0,0,0)' Wyckoff positions: 8r (x,y,z;mx,my,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (x,y,-z;mx,my,-mz) 4q (x,y,0;mx,my,0) (x,-y,1/2;mx,-my,0) (-x,y,1/2;-mx,my,0) (-x,-y,0;-mx,-my,0) 4p (1/2,0,z;0,0,mz) (1/2,0,-z+1/2;0,0,-mz) (1/2,0,-z;0,0,-mz) (1/2,0,z+1/2;0,0,mz) 4o (0,1/2,z;0,0,mz) (0,1/2,-z+1/2;0,0,-mz) (0,1/2,-z;0,0,-mz) (0,1/2,z+1/2;0,0,mz) 4n (1/2,1/2,z;0,0,mz) (1/2,1/2,-z+1/2;0,0,-mz) (1/2,1/2,-z;0,0,-mz) (1/2,1/2,z+1/2;0,0,mz) 4m (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (0,0,-z;0,0,-mz) (0,0,z+1/2;0,0,mz) 4l (1/2,y,1/4;0,my,0) (1/2,-y,1/4;0,-my,0) (1/2,-y,3/4;0,-my,0) (1/2,y,3/4;0,my,0) 4k (0,y,1/4;0,my,0) (0,-y,1/4;0,-my,0) (0,-y,3/4;0,-my,0) (0,y,3/4;0,my,0) 4j (x,1/2,1/4;mx,0,0) (-x,1/2,1/4;-mx,0,0) (-x,1/2,3/4;-mx,0,0) (x,1/2,3/4;mx,0,0) 4i (x,0,1/4;mx,0,0) (-x,0,1/4;-mx,0,0) (-x,0,3/4;-mx,0,0) (x,0,3/4;mx,0,0) 2h (1/2,1/2,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) 2g (0,1/2,1/4;0,0,0) (0,1/2,3/4;0,0,0) 2f (1/2,0,1/4;0,0,0) (1/2,0,3/4;0,0,0) 2e (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 2d (1/2,0,0;0,0,0) (1/2,0,1/2;0,0,0) 2c (0,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) 2b (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 2a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- UNI: 49.272 Pccm.1'_a[Pccm] BNS: 49.272 P_accm OG: 49.8.371 P_2accm OG-BNS transformation: (0,0,0;2a,b,c) Operators (BNS): (1|0,0,0) (2x|0,0,1/2) (2y|0,0,1/2) (2z|0,0,0) (-1|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (mz|0,0,0) (1|1/2,0,0)' (2x|1/2,0,1/2)' (2y|1/2,0,1/2)' (2z|1/2,0,0)' (-1|1/2,0,0)' (mx|1/2,0,1/2)' (my|1/2,0,1/2)' (mz|1/2,0,0)' Wyckoff positions (BNS): 16r (x,y,z;mx,my,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x+1/2,y,z;-mx,-my,-mz) (x+1/2,-y,-z+1/2;-mx,my,mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x+1/2,-y,z;mx,my,-mz) (-x+1/2,-y,-z;-mx,-my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) (x+1/2,y,-z;mx,my,-mz) 8q (x,y,0;0,0,mz) (x,-y,1/2;0,0,-mz) (-x,y,1/2;0,0,-mz) (-x,-y,0;0,0,mz) (x+1/2,y,0;0,0,-mz) (x+1/2,-y,1/2;0,0,mz) (-x+1/2,y,1/2;0,0,mz) (-x+1/2,-y,0;0,0,-mz) 8p (1/4,0,z;mx,my,0) (1/4,0,-z+1/2;mx,-my,0) (3/4,0,-z+1/2;-mx,my,0) (3/4,0,z;-mx,-my,0) (3/4,0,-z;mx,my,0) (3/4,0,z+1/2;mx,-my,0) (1/4,0,z+1/2;-mx,my,0) (1/4,0,-z;-mx,-my,0) 8o (0,1/2,z;0,0,mz) (0,1/2,-z+1/2;0,0,-mz) (0,1/2,-z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) (1/2,1/2,z;0,0,-mz) (1/2,1/2,-z+1/2;0,0,mz) (1/2,1/2,-z;0,0,-mz) (1/2,1/2,z+1/2;0,0,mz) 8n (1/4,1/2,z;mx,my,0) (1/4,1/2,-z+1/2;mx,-my,0) (3/4,1/2,-z+1/2;-mx,my,0) (3/4,1/2,z;-mx,-my,0) (3/4,1/2,-z;mx,my,0) (3/4,1/2,z+1/2;mx,-my,0) (1/4,1/2,z+1/2;-mx,my,0) (1/4,1/2,-z;-mx,-my,0) 8m (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (0,0,z+1/2;0,0,-mz) (1/2,0,z;0,0,-mz) (1/2,0,-z+1/2;0,0,mz) (1/2,0,-z;0,0,-mz) (1/2,0,z+1/2;0,0,mz) 8l (1/4,y,1/4;mx,0,mz) (1/4,-y,1/4;mx,0,-mz) (3/4,y,1/4;-mx,0,-mz) (3/4,-y,1/4;-mx,0,mz) (3/4,-y,3/4;mx,0,mz) (3/4,y,3/4;mx,0,-mz) (1/4,-y,3/4;-mx,0,-mz) (1/4,y,3/4;-mx,0,mz) 8k (0,y,1/4;0,my,0) (0,-y,1/4;0,-my,0) (0,-y,3/4;0,my,0) (0,y,3/4;0,-my,0) (1/2,y,1/4;0,-my,0) (1/2,-y,1/4;0,my,0) (1/2,-y,3/4;0,-my,0) (1/2,y,3/4;0,my,0) 8j (x,1/2,1/4;mx,0,0) (-x,1/2,1/4;-mx,0,0) (-x,1/2,3/4;mx,0,0) (x,1/2,3/4;-mx,0,0) (x+1/2,1/2,1/4;-mx,0,0) (-x+1/2,1/2,1/4;mx,0,0) (-x+1/2,1/2,3/4;-mx,0,0) (x+1/2,1/2,3/4;mx,0,0) 8i (x,0,1/4;mx,0,0) (-x,0,1/4;-mx,0,0) (-x,0,3/4;mx,0,0) (x,0,3/4;-mx,0,0) (x+1/2,0,1/4;-mx,0,0) (-x+1/2,0,1/4;mx,0,0) (-x+1/2,0,3/4;-mx,0,0) (x+1/2,0,3/4;mx,0,0) 4h (1/4,1/2,1/4;mx,0,0) (3/4,1/2,1/4;-mx,0,0) (3/4,1/2,3/4;mx,0,0) (1/4,1/2,3/4;-mx,0,0) 4g (0,1/2,1/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,1/2,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) 4f (1/4,0,1/4;mx,0,0) (3/4,0,1/4;-mx,0,0) (3/4,0,3/4;mx,0,0) (1/4,0,3/4;-mx,0,0) 4e (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) (1/2,0,1/4;0,0,0) (1/2,0,3/4;0,0,0) 4d (1/4,0,0;0,0,0) (1/4,0,1/2;0,0,0) (3/4,0,1/2;0,0,0) (3/4,0,0;0,0,0) 4c (0,1/2,0;0,0,mz) (0,1/2,1/2;0,0,-mz) (1/2,1/2,0;0,0,-mz) (1/2,1/2,1/2;0,0,mz) 4b (1/4,1/2,0;0,0,0) (1/4,1/2,1/2;0,0,0) (3/4,1/2,1/2;0,0,0) (3/4,1/2,0;0,0,0) 4a (0,0,0;0,0,mz) (0,0,1/2;0,0,-mz) (1/2,0,0;0,0,-mz) (1/2,0,1/2;0,0,mz) Operators (OG): (1|0,0,0) (2x|0,0,1/2) (2y|0,0,1/2) (2z|0,0,0) (-1|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (mz|0,0,0) (1|1,0,0)' (2x|1,0,1/2)' (2y|1,0,1/2)' (2z|1,0,0)' (-1|1,0,0)' (mx|1,0,1/2)' (my|1,0,1/2)' (mz|1,0,0)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,1,0)+ (0,0,1)+ 16r (x,y,z;mx,my,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x+1,y,z;-mx,-my,-mz) (x+1,-y,-z+1/2;-mx,my,mz) (-x+1,y,-z+1/2;mx,-my,mz) (-x+1,-y,z;mx,my,-mz) (-x+1,-y,-z;-mx,-my,-mz) (-x+1,y,z+1/2;-mx,my,mz) (x+1,-y,z+1/2;mx,-my,mz) (x+1,y,-z;mx,my,-mz) 8q (x,y,0;0,0,mz) (x,-y,1/2;0,0,-mz) (-x,y,1/2;0,0,-mz) (-x,-y,0;0,0,mz) (x+1,y,0;0,0,-mz) (x+1,-y,1/2;0,0,mz) (-x+1,y,1/2;0,0,mz) (-x+1,-y,0;0,0,-mz) 8p (1/2,0,z;mx,my,0) (1/2,0,-z+1/2;mx,-my,0) (-1/2,0,-z+1/2;-mx,my,0) (-1/2,0,z;-mx,-my,0) (-1/2,0,-z;mx,my,0) (-1/2,0,z+1/2;mx,-my,0) (1/2,0,z+1/2;-mx,my,0) (1/2,0,-z;-mx,-my,0) 8o (0,1/2,z;0,0,mz) (0,-1/2,-z+1/2;0,0,-mz) (0,-1/2,-z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) (1,1/2,z;0,0,-mz) (1,-1/2,-z+1/2;0,0,mz) (1,-1/2,-z;0,0,-mz) (1,1/2,z+1/2;0,0,mz) 8n (1/2,1/2,z;mx,my,0) (1/2,-1/2,-z+1/2;mx,-my,0) (-1/2,1/2,-z+1/2;-mx,my,0) (-1/2,-1/2,z;-mx,-my,0) (-1/2,-1/2,-z;mx,my,0) (-1/2,1/2,z+1/2;mx,-my,0) (1/2,-1/2,z+1/2;-mx,my,0) (1/2,1/2,-z;-mx,-my,0) 8m (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (0,0,z+1/2;0,0,-mz) (1,0,z;0,0,-mz) (1,0,-z+1/2;0,0,mz) (1,0,-z;0,0,-mz) (1,0,z+1/2;0,0,mz) 8l (1/2,y,1/4;mx,0,mz) (1/2,-y,1/4;mx,0,-mz) (-1/2,y,1/4;-mx,0,-mz) (-1/2,-y,1/4;-mx,0,mz) (-1/2,-y,-1/4;mx,0,mz) (-1/2,y,3/4;mx,0,-mz) (1/2,-y,3/4;-mx,0,-mz) (1/2,y,-1/4;-mx,0,mz) 8k (0,y,1/4;0,my,0) (0,-y,1/4;0,-my,0) (0,-y,-1/4;0,my,0) (0,y,3/4;0,-my,0) (1,y,1/4;0,-my,0) (1,-y,1/4;0,my,0) (1,-y,-1/4;0,-my,0) (1,y,3/4;0,my,0) 8j (x,1/2,1/4;mx,0,0) (-x,1/2,1/4;-mx,0,0) (-x,-1/2,-1/4;mx,0,0) (x,-1/2,3/4;-mx,0,0) (x+1,1/2,1/4;-mx,0,0) (-x+1,1/2,1/4;mx,0,0) (-x+1,-1/2,-1/4;-mx,0,0) (x+1,-1/2,3/4;mx,0,0) 8i (x,0,1/4;mx,0,0) (-x,0,1/4;-mx,0,0) (-x,0,-1/4;mx,0,0) (x,0,3/4;-mx,0,0) (x+1,0,1/4;-mx,0,0) (-x+1,0,1/4;mx,0,0) (-x+1,0,-1/4;-mx,0,0) (x+1,0,3/4;mx,0,0) 4h (1/2,1/2,1/4;mx,0,0) (-1/2,1/2,1/4;-mx,0,0) (-1/2,-1/2,-1/4;mx,0,0) (1/2,-1/2,3/4;-mx,0,0) 4g (0,1/2,1/4;0,0,0) (0,-1/2,-1/4;0,0,0) (1,1/2,1/4;0,0,0) (1,-1/2,-1/4;0,0,0) 4f (1/2,0,1/4;mx,0,0) (-1/2,0,1/4;-mx,0,0) (-1/2,0,-1/4;mx,0,0) (1/2,0,3/4;-mx,0,0) 4e (0,0,1/4;0,0,0) (0,0,-1/4;0,0,0) (1,0,1/4;0,0,0) (1,0,-1/4;0,0,0) 4d (1/2,0,0;0,0,0) (1/2,0,1/2;0,0,0) (-1/2,0,1/2;0,0,0) (-1/2,0,0;0,0,0) 4c (0,1/2,0;0,0,mz) (0,-1/2,1/2;0,0,-mz) (1,1/2,0;0,0,-mz) (1,-1/2,1/2;0,0,mz) 4b (1/2,1/2,0;0,0,0) (1/2,-1/2,1/2;0,0,0) (-1/2,1/2,1/2;0,0,0) (-1/2,-1/2,0;0,0,0) 4a (0,0,0;0,0,mz) (0,0,1/2;0,0,-mz) (1,0,0;0,0,-mz) (1,0,1/2;0,0,mz) ---------- UNI: 49.273 Pccm.1'_c[Pmmm] BNS: 49.273 P_cccm OG: 47.10.356 P_2cm'm'm OG-BNS transformation: (0,0,0;a,b,2c) Operators (BNS): (1|0,0,0) (2x|0,0,1/2) (2y|0,0,1/2) (2z|0,0,0) (-1|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (mz|0,0,0) (1|0,0,1/2)' (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,1/2)' (-1|0,0,1/2)' (mx|0,0,0)' (my|0,0,0)' (mz|0,0,1/2)' Wyckoff positions (BNS): 16alpha (x,y,z;mx,my,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x,y,z+1/2;-mx,-my,-mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z+1/2;mx,my,-mz) (-x,-y,-z+1/2;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x,y,-z+1/2;mx,my,-mz) 8z (x,y,1/4;mx,my,0) (x,-y,1/4;mx,-my,0) (-x,y,1/4;-mx,my,0) (-x,-y,1/4;-mx,-my,0) (-x,-y,3/4;mx,my,0) (-x,y,3/4;mx,-my,0) (x,-y,3/4;-mx,my,0) (x,y,3/4;-mx,-my,0) 8y (x,y,0;0,0,mz) (x,-y,1/2;0,0,-mz) (-x,y,1/2;0,0,-mz) (-x,-y,0;0,0,mz) (x,y,1/2;0,0,-mz) (x,-y,0;0,0,mz) (-x,y,0;0,0,mz) (-x,-y,1/2;0,0,-mz) 8x (x,1/2,z;mx,0,mz) (x,1/2,-z+1/2;mx,0,-mz) (-x,1/2,-z+1/2;-mx,0,-mz) (-x,1/2,z;-mx,0,mz) (-x,1/2,-z;mx,0,mz) (-x,1/2,z+1/2;mx,0,-mz) (x,1/2,z+1/2;-mx,0,-mz) (x,1/2,-z;-mx,0,mz) 8w (x,0,z;mx,0,mz) (x,0,-z+1/2;mx,0,-mz) (-x,0,-z+1/2;-mx,0,-mz) (-x,0,z;-mx,0,mz) (-x,0,-z;mx,0,mz) (-x,0,z+1/2;mx,0,-mz) (x,0,z+1/2;-mx,0,-mz) (x,0,-z;-mx,0,mz) 8v (1/2,y,z;0,my,mz) (1/2,-y,-z+1/2;0,-my,-mz) (1/2,y,-z+1/2;0,my,-mz) (1/2,-y,z;0,-my,mz) (1/2,-y,-z;0,my,mz) (1/2,y,z+1/2;0,-my,-mz) (1/2,-y,z+1/2;0,my,-mz) (1/2,y,-z;0,-my,mz) 8u (0,y,z;0,my,mz) (0,-y,-z+1/2;0,-my,-mz) (0,y,-z+1/2;0,my,-mz) (0,-y,z;0,-my,mz) (0,-y,-z;0,my,mz) (0,y,z+1/2;0,-my,-mz) (0,-y,z+1/2;0,my,-mz) (0,y,-z;0,-my,mz) 4t (1/2,1/2,z;0,0,mz) (1/2,1/2,-z+1/2;0,0,-mz) (1/2,1/2,-z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) 4s (1/2,0,z;0,0,mz) (1/2,0,-z+1/2;0,0,-mz) (1/2,0,-z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) 4r (0,1/2,z;0,0,mz) (0,1/2,-z+1/2;0,0,-mz) (0,1/2,-z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) 4q (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (0,0,z+1/2;0,0,-mz) 4p (1/2,y,1/4;0,my,0) (1/2,-y,1/4;0,-my,0) (1/2,-y,3/4;0,my,0) (1/2,y,3/4;0,-my,0) 4o (1/2,y,0;0,0,mz) (1/2,-y,1/2;0,0,-mz) (1/2,y,1/2;0,0,-mz) (1/2,-y,0;0,0,mz) 4n (0,y,1/4;0,my,0) (0,-y,1/4;0,-my,0) (0,-y,3/4;0,my,0) (0,y,3/4;0,-my,0) 4m (0,y,0;0,0,mz) (0,-y,1/2;0,0,-mz) (0,y,1/2;0,0,-mz) (0,-y,0;0,0,mz) 4l (x,1/2,1/4;mx,0,0) (-x,1/2,1/4;-mx,0,0) (-x,1/2,3/4;mx,0,0) (x,1/2,3/4;-mx,0,0) 4k (x,1/2,0;0,0,mz) (x,1/2,1/2;0,0,-mz) (-x,1/2,1/2;0,0,-mz) (-x,1/2,0;0,0,mz) 4j (x,0,1/4;mx,0,0) (-x,0,1/4;-mx,0,0) (-x,0,3/4;mx,0,0) (x,0,3/4;-mx,0,0) 4i (x,0,0;0,0,mz) (x,0,1/2;0,0,-mz) (-x,0,1/2;0,0,-mz) (-x,0,0;0,0,mz) 2h (1/2,1/2,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) 2g (0,1/2,1/4;0,0,0) (0,1/2,3/4;0,0,0) 2f (1/2,1/2,0;0,0,mz) (1/2,1/2,1/2;0,0,-mz) 2e (0,1/2,0;0,0,mz) (0,1/2,1/2;0,0,-mz) 2d (1/2,0,1/4;0,0,0) (1/2,0,3/4;0,0,0) 2c (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 2b (1/2,0,0;0,0,mz) (1/2,0,1/2;0,0,-mz) 2a (0,0,0;0,0,mz) (0,0,1/2;0,0,-mz) Operators (OG): (1|0,0,0) (2x|0,0,1) (2y|0,0,1) (2z|0,0,0) (-1|0,0,0) (mx|0,0,1) (my|0,0,1) (mz|0,0,0) (1|0,0,1)' (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,1)' (-1|0,0,1)' (mx|0,0,0)' (my|0,0,0)' (mz|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 16alpha (x,y,z;mx,my,mz) (x,-y,-z+1;mx,-my,-mz) (-x,y,-z+1;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z+1;mx,-my,-mz) (x,-y,z+1;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x,y,z+1;-mx,-my,-mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z+1;mx,my,-mz) (-x,-y,-z+1;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x,y,-z+1;mx,my,-mz) 8z (x,y,1/2;mx,my,0) (x,-y,1/2;mx,-my,0) (-x,y,1/2;-mx,my,0) (-x,-y,1/2;-mx,-my,0) (-x,-y,-1/2;mx,my,0) (-x,y,3/2;mx,-my,0) (x,-y,3/2;-mx,my,0) (x,y,-1/2;-mx,-my,0) 8y (x,y,0;0,0,mz) (x,-y,1;0,0,-mz) (-x,y,1;0,0,-mz) (-x,-y,0;0,0,mz) (x,y,1;0,0,-mz) (x,-y,0;0,0,mz) (-x,y,0;0,0,mz) (-x,-y,1;0,0,-mz) 8x (x,1/2,z;mx,0,mz) (x,-1/2,-z+1;mx,0,-mz) (-x,1/2,-z+1;-mx,0,-mz) (-x,-1/2,z;-mx,0,mz) (-x,-1/2,-z;mx,0,mz) (-x,1/2,z+1;mx,0,-mz) (x,-1/2,z+1;-mx,0,-mz) (x,1/2,-z;-mx,0,mz) 8w (x,0,z;mx,0,mz) (x,0,-z+1;mx,0,-mz) (-x,0,-z+1;-mx,0,-mz) (-x,0,z;-mx,0,mz) (-x,0,-z;mx,0,mz) (-x,0,z+1;mx,0,-mz) (x,0,z+1;-mx,0,-mz) (x,0,-z;-mx,0,mz) 8v (1/2,y,z;0,my,mz) (1/2,-y,-z+1;0,-my,-mz) (-1/2,y,-z+1;0,my,-mz) (-1/2,-y,z;0,-my,mz) (-1/2,-y,-z;0,my,mz) (-1/2,y,z+1;0,-my,-mz) (1/2,-y,z+1;0,my,-mz) (1/2,y,-z;0,-my,mz) 8u (0,y,z;0,my,mz) (0,-y,-z+1;0,-my,-mz) (0,y,-z+1;0,my,-mz) (0,-y,z;0,-my,mz) (0,-y,-z;0,my,mz) (0,y,z+1;0,-my,-mz) (0,-y,z+1;0,my,-mz) (0,y,-z;0,-my,mz) 4t (1/2,1/2,z;0,0,mz) (1/2,-1/2,-z+1;0,0,-mz) (-1/2,-1/2,-z;0,0,mz) (-1/2,1/2,z+1;0,0,-mz) 4s (1/2,0,z;0,0,mz) (1/2,0,-z+1;0,0,-mz) (-1/2,0,-z;0,0,mz) (-1/2,0,z+1;0,0,-mz) 4r (0,1/2,z;0,0,mz) (0,-1/2,-z+1;0,0,-mz) (0,-1/2,-z;0,0,mz) (0,1/2,z+1;0,0,-mz) 4q (0,0,z;0,0,mz) (0,0,-z+1;0,0,-mz) (0,0,-z;0,0,mz) (0,0,z+1;0,0,-mz) 4p (1/2,y,1/2;0,my,0) (1/2,-y,1/2;0,-my,0) (-1/2,-y,-1/2;0,my,0) (-1/2,y,3/2;0,-my,0) 4o (1/2,y,0;0,0,mz) (1/2,-y,1;0,0,-mz) (-1/2,y,1;0,0,-mz) (-1/2,-y,0;0,0,mz) 4n (0,y,1/2;0,my,0) (0,-y,1/2;0,-my,0) (0,-y,-1/2;0,my,0) (0,y,3/2;0,-my,0) 4m (0,y,0;0,0,mz) (0,-y,1;0,0,-mz) (0,y,1;0,0,-mz) (0,-y,0;0,0,mz) 4l (x,1/2,1/2;mx,0,0) (-x,1/2,1/2;-mx,0,0) (-x,-1/2,-1/2;mx,0,0) (x,-1/2,3/2;-mx,0,0) 4k (x,1/2,0;0,0,mz) (x,-1/2,1;0,0,-mz) (-x,1/2,1;0,0,-mz) (-x,-1/2,0;0,0,mz) 4j (x,0,1/2;mx,0,0) (-x,0,1/2;-mx,0,0) (-x,0,-1/2;mx,0,0) (x,0,3/2;-mx,0,0) 4i (x,0,0;0,0,mz) (x,0,1;0,0,-mz) (-x,0,1;0,0,-mz) (-x,0,0;0,0,mz) 2h (1/2,1/2,1/2;0,0,0) (-1/2,-1/2,-1/2;0,0,0) 2g (0,1/2,1/2;0,0,0) (0,-1/2,-1/2;0,0,0) 2f (1/2,1/2,0;0,0,mz) (1/2,-1/2,1;0,0,-mz) 2e (0,1/2,0;0,0,mz) (0,-1/2,1;0,0,-mz) 2d (1/2,0,1/2;0,0,0) (-1/2,0,-1/2;0,0,0) 2c (0,0,1/2;0,0,0) (0,0,-1/2;0,0,0) 2b (1/2,0,0;0,0,mz) (1/2,0,1;0,0,-mz) 2a (0,0,0;0,0,mz) (0,0,1;0,0,-mz) ---------- UNI: 49.274 Pccm.1'_B[Bmcm] BNS: 49.274 P_Bccm OG: 67.9.585 C_Pmma OG-BNS transformation: (0,0,0;b,c,a) Operators (BNS): (1|0,0,0) (2x|0,0,1/2) (2y|0,0,1/2) (2z|0,0,0) (-1|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (mz|0,0,0) (1|1/2,0,1/2)' (2x|1/2,0,0)' (2y|1/2,0,0)' (2z|1/2,0,1/2)' (-1|1/2,0,1/2)' (mx|1/2,0,0)' (my|1/2,0,0)' (mz|1/2,0,1/2)' Wyckoff positions (BNS): 16o (x,y,z;mx,my,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x+1/2,y,z+1/2;-mx,-my,-mz) (x+1/2,-y,-z;-mx,my,mz) (-x+1/2,y,-z;mx,-my,mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x+1/2,-y,-z+1/2;-mx,-my,-mz) (-x+1/2,y,z;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) (x+1/2,y,-z+1/2;mx,my,-mz) 8n (1/4,y,z;0,my,mz) (1/4,-y,-z+1/2;0,-my,-mz) (3/4,y,-z+1/2;0,my,-mz) (3/4,-y,z;0,-my,mz) (3/4,-y,-z;0,my,mz) (3/4,y,z+1/2;0,-my,-mz) (1/4,-y,z+1/2;0,my,-mz) (1/4,y,-z;0,-my,mz) 8m (x,y,0;0,0,mz) (x,-y,1/2;0,0,-mz) (-x,y,1/2;0,0,-mz) (-x,-y,0;0,0,mz) (x+1/2,y,1/2;0,0,-mz) (x+1/2,-y,0;0,0,mz) (-x+1/2,y,0;0,0,mz) (-x+1/2,-y,1/2;0,0,-mz) 8l (0,y,1/4;0,my,0) (0,-y,1/4;0,-my,0) (0,-y,3/4;0,my,0) (0,y,3/4;0,-my,0) (1/2,y,3/4;0,-my,0) (1/2,-y,3/4;0,my,0) (1/2,-y,1/4;0,-my,0) (1/2,y,1/4;0,my,0) 8k (x,1/2,1/4;mx,0,0) (-x,1/2,1/4;-mx,0,0) (-x,1/2,3/4;mx,0,0) (x,1/2,3/4;-mx,0,0) (x+1/2,1/2,3/4;-mx,0,0) (-x+1/2,1/2,3/4;mx,0,0) (-x+1/2,1/2,1/4;-mx,0,0) (x+1/2,1/2,1/4;mx,0,0) 8j (x,0,1/4;mx,0,0) (-x,0,1/4;-mx,0,0) (-x,0,3/4;mx,0,0) (x,0,3/4;-mx,0,0) (x+1/2,0,3/4;-mx,0,0) (-x+1/2,0,3/4;mx,0,0) (-x+1/2,0,1/4;-mx,0,0) (x+1/2,0,1/4;mx,0,0) 8i (0,1/2,z;0,0,mz) (0,1/2,-z+1/2;0,0,-mz) (0,1/2,-z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) (1/2,1/2,-z;0,0,mz) (1/2,1/2,-z+1/2;0,0,-mz) (1/2,1/2,z;0,0,mz) 8h (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (0,0,z+1/2;0,0,-mz) (1/2,0,z+1/2;0,0,-mz) (1/2,0,-z;0,0,mz) (1/2,0,-z+1/2;0,0,-mz) (1/2,0,z;0,0,mz) 4g (1/4,y,0;0,0,mz) (1/4,-y,1/2;0,0,-mz) (3/4,y,1/2;0,0,-mz) (3/4,-y,0;0,0,mz) 4f (1/4,1/2,1/4;0,0,0) (3/4,1/2,1/4;0,0,0) (3/4,1/2,3/4;0,0,0) (1/4,1/2,3/4;0,0,0) 4e (1/4,0,1/4;0,0,0) (3/4,0,1/4;0,0,0) (3/4,0,3/4;0,0,0) (1/4,0,3/4;0,0,0) 4d (0,1/2,0;0,0,mz) (0,1/2,1/2;0,0,-mz) (1/2,1/2,1/2;0,0,-mz) (1/2,1/2,0;0,0,mz) 4c (0,0,0;0,0,mz) (0,0,1/2;0,0,-mz) (1/2,0,1/2;0,0,-mz) (1/2,0,0;0,0,mz) 4b (0,1/2,1/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,1/2,3/4;0,0,0) (1/2,1/2,1/4;0,0,0) 4a (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) (1/2,0,3/4;0,0,0) (1/2,0,1/4;0,0,0) Operators (OG): (1|0,0,0) (2y|1/2,0,0) (2z|1/2,0,0) (2x|0,0,0) (-1|0,0,0) (my|1/2,0,0) (mz|1/2,0,0) (mx|0,0,0) (1|1/2,1/2,0)' (2y|1,1/2,0)' (2z|1,1/2,0)' (2x|1/2,1/2,0)' (-1|1/2,1/2,0)' (my|1,1/2,0)' (mz|1,1/2,0)' (mx|1/2,1/2,0)' Wyckoff positions (OG): (0,0,0)+ (0,1,0)+ (0,0,1)+ (1,0,0)+ 16o (x,y,z;mx,my,mz) (-x+1/2,y,-z;-mx,my,-mz) (-x+1/2,-y,z;-mx,-my,mz) (x,-y,-z;mx,-my,-mz) (-x,-y,-z;mx,my,mz) (x+1/2,-y,z;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x+1,y+1/2,-z;mx,-my,mz) (-x+1,-y+1/2,z;mx,my,-mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (x+1,-y+1/2,z;mx,-my,mz) (x+1,y+1/2,-z;mx,my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) 8n (x,1/4,z;mx,0,mz) (-x+1/2,1/4,-z;-mx,0,-mz) (-x+1/2,-1/4,z;-mx,0,mz) (x,-1/4,-z;mx,0,-mz) (-x,-1/4,-z;mx,0,mz) (x+1/2,-1/4,z;-mx,0,-mz) (x+1/2,1/4,-z;-mx,0,mz) (-x,1/4,z;mx,0,-mz) 8m (0,y,z;mx,0,0) (1/2,y,-z;-mx,0,0) (1/2,-y,z;-mx,0,0) (0,-y,-z;mx,0,0) (1/2,y+1/2,z;-mx,0,0) (1,y+1/2,-z;mx,0,0) (1,-y+1/2,z;mx,0,0) (1/2,-y+1/2,-z;-mx,0,0) 8l (1/4,0,z;0,0,mz) (1/4,0,-z;0,0,-mz) (-1/4,0,-z;0,0,mz) (3/4,0,z;0,0,-mz) (3/4,1/2,z;0,0,-mz) (3/4,1/2,-z;0,0,mz) (1/4,1/2,-z;0,0,-mz) (5/4,1/2,z;0,0,mz) 8k (1/4,y,1/2;0,my,0) (1/4,-y,1/2;0,-my,0) (-1/4,-y,-1/2;0,my,0) (3/4,y,-1/2;0,-my,0) (3/4,y+1/2,1/2;0,-my,0) (3/4,-y+1/2,1/2;0,my,0) (1/4,-y+1/2,-1/2;0,-my,0) (5/4,y+1/2,-1/2;0,my,0) 8j (1/4,y,0;0,my,0) (1/4,-y,0;0,-my,0) (-1/4,-y,0;0,my,0) (3/4,y,0;0,-my,0) (3/4,y+1/2,0;0,-my,0) (3/4,-y+1/2,0;0,my,0) (1/4,-y+1/2,0;0,-my,0) (5/4,y+1/2,0;0,my,0) 8i (x,0,1/2;mx,0,0) (-x+1/2,0,-1/2;-mx,0,0) (-x,0,-1/2;mx,0,0) (x+1/2,0,1/2;-mx,0,0) (x+1/2,1/2,1/2;-mx,0,0) (-x+1,1/2,-1/2;mx,0,0) (-x+1/2,1/2,-1/2;-mx,0,0) (x+1,1/2,1/2;mx,0,0) 8h (x,0,0;mx,0,0) (-x+1/2,0,0;-mx,0,0) (-x,0,0;mx,0,0) (x+1/2,0,0;-mx,0,0) (x+1/2,1/2,0;-mx,0,0) (-x+1,1/2,0;mx,0,0) (-x+1/2,1/2,0;-mx,0,0) (x+1,1/2,0;mx,0,0) 4g (0,1/4,z;mx,0,0) (1/2,1/4,-z;-mx,0,0) (1/2,-1/4,z;-mx,0,0) (0,-1/4,-z;mx,0,0) 4f (1/4,1/4,1/2;0,0,0) (1/4,-1/4,1/2;0,0,0) (-1/4,-1/4,-1/2;0,0,0) (3/4,1/4,-1/2;0,0,0) 4e (1/4,1/4,0;0,0,0) (1/4,-1/4,0;0,0,0) (-1/4,-1/4,0;0,0,0) (3/4,1/4,0;0,0,0) 4d (0,0,1/2;mx,0,0) (1/2,0,-1/2;-mx,0,0) (1/2,1/2,1/2;-mx,0,0) (1,1/2,-1/2;mx,0,0) 4c (0,0,0;mx,0,0) (1/2,0,0;-mx,0,0) (1/2,1/2,0;-mx,0,0) (1,1/2,0;mx,0,0) 4b (1/4,0,1/2;0,0,0) (-1/4,0,-1/2;0,0,0) (3/4,1/2,1/2;0,0,0) (1/4,1/2,-1/2;0,0,0) 4a (1/4,0,0;0,0,0) (-1/4,0,0;0,0,0) (3/4,1/2,0;0,0,0) (1/4,1/2,0;0,0,0) ---------- UNI: 49.275 Pccm.1'_C[Cccm] BNS: 49.275 P_Cccm OG: 66.8.571 C_Pccm OG-BNS transformation: (0,0,0;a,b,c) Operators (BNS): (1|0,0,0) (2x|0,0,1/2) (2y|0,0,1/2) (2z|0,0,0) (-1|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (mz|0,0,0) (1|1/2,1/2,0)' (2x|1/2,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|1/2,1/2,0)' (-1|1/2,1/2,0)' (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2)' (mz|1/2,1/2,0)' Wyckoff positions (BNS): 16m (x,y,z;mx,my,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z;mx,my,-mz) 8l (x,y,0;0,0,mz) (x,-y,1/2;0,0,-mz) (-x,y,1/2;0,0,-mz) (-x,-y,0;0,0,mz) (x+1/2,y+1/2,0;0,0,-mz) (x+1/2,-y+1/2,1/2;0,0,mz) (-x+1/2,y+1/2,1/2;0,0,mz) (-x+1/2,-y+1/2,0;0,0,-mz) 8k (1/4,1/4,z;mx,my,0) (1/4,3/4,-z+1/2;mx,-my,0) (3/4,1/4,-z+1/2;-mx,my,0) (3/4,3/4,z;-mx,-my,0) (3/4,3/4,-z;mx,my,0) (3/4,1/4,z+1/2;mx,-my,0) (1/4,3/4,z+1/2;-mx,my,0) (1/4,1/4,-z;-mx,-my,0) 8j (0,1/2,z;0,0,mz) (0,1/2,-z+1/2;0,0,-mz) (0,1/2,-z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) (1/2,0,z;0,0,-mz) (1/2,0,-z+1/2;0,0,mz) (1/2,0,-z;0,0,-mz) (1/2,0,z+1/2;0,0,mz) 8i (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (0,0,z+1/2;0,0,-mz) (1/2,1/2,z;0,0,-mz) (1/2,1/2,-z+1/2;0,0,mz) (1/2,1/2,-z;0,0,-mz) (1/2,1/2,z+1/2;0,0,mz) 8h (0,y,1/4;0,my,0) (0,-y,1/4;0,-my,0) (0,-y,3/4;0,my,0) (0,y,3/4;0,-my,0) (1/2,y+1/2,1/4;0,-my,0) (1/2,-y+1/2,1/4;0,my,0) (1/2,-y+1/2,3/4;0,-my,0) (1/2,y+1/2,3/4;0,my,0) 8g (x,0,1/4;mx,0,0) (-x,0,1/4;-mx,0,0) (-x,0,3/4;mx,0,0) (x,0,3/4;-mx,0,0) (x+1/2,1/2,1/4;-mx,0,0) (-x+1/2,1/2,1/4;mx,0,0) (-x+1/2,1/2,3/4;-mx,0,0) (x+1/2,1/2,3/4;mx,0,0) 4f (1/4,3/4,0;0,0,0) (1/4,1/4,1/2;0,0,0) (3/4,3/4,1/2;0,0,0) (3/4,1/4,0;0,0,0) 4e (1/4,1/4,0;0,0,0) (1/4,3/4,1/2;0,0,0) (3/4,1/4,1/2;0,0,0) (3/4,3/4,0;0,0,0) 4d (0,1/2,0;0,0,mz) (0,1/2,1/2;0,0,-mz) (1/2,0,0;0,0,-mz) (1/2,0,1/2;0,0,mz) 4c (0,0,0;0,0,mz) (0,0,1/2;0,0,-mz) (1/2,1/2,0;0,0,-mz) (1/2,1/2,1/2;0,0,mz) 4b (0,1/2,1/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,0,1/4;0,0,0) (1/2,0,3/4;0,0,0) 4a (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) (1/2,1/2,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) Operators (OG): (1|0,0,0) (2x|0,0,1/2) (2y|0,0,1/2) (2z|0,0,0) (-1|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (mz|0,0,0) (1|1/2,1/2,0)' (2x|1/2,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|1/2,1/2,0)' (-1|1/2,1/2,0)' (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2)' (mz|1/2,1/2,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16m (x,y,z;mx,my,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z;mx,my,-mz) 8l (x,y,0;0,0,mz) (x,-y,1/2;0,0,-mz) (-x,y,1/2;0,0,-mz) (-x,-y,0;0,0,mz) (x+1/2,y+1/2,0;0,0,-mz) (x+1/2,-y+1/2,1/2;0,0,mz) (-x+1/2,y+1/2,1/2;0,0,mz) (-x+1/2,-y+1/2,0;0,0,-mz) 8k (1/4,1/4,z;mx,my,0) (1/4,-1/4,-z+1/2;mx,-my,0) (-1/4,1/4,-z+1/2;-mx,my,0) (-1/4,-1/4,z;-mx,-my,0) (-1/4,-1/4,-z;mx,my,0) (-1/4,1/4,z+1/2;mx,-my,0) (1/4,-1/4,z+1/2;-mx,my,0) (1/4,1/4,-z;-mx,-my,0) 8j (0,1/2,z;0,0,mz) (0,-1/2,-z+1/2;0,0,-mz) (0,-1/2,-z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) (1/2,1,z;0,0,-mz) (1/2,0,-z+1/2;0,0,mz) (1/2,0,-z;0,0,-mz) (1/2,1,z+1/2;0,0,mz) 8i (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (0,0,z+1/2;0,0,-mz) (1/2,1/2,z;0,0,-mz) (1/2,1/2,-z+1/2;0,0,mz) (1/2,1/2,-z;0,0,-mz) (1/2,1/2,z+1/2;0,0,mz) 8h (0,y,1/4;0,my,0) (0,-y,1/4;0,-my,0) (0,-y,-1/4;0,my,0) (0,y,3/4;0,-my,0) (1/2,y+1/2,1/4;0,-my,0) (1/2,-y+1/2,1/4;0,my,0) (1/2,-y+1/2,-1/4;0,-my,0) (1/2,y+1/2,3/4;0,my,0) 8g (x,0,1/4;mx,0,0) (-x,0,1/4;-mx,0,0) (-x,0,-1/4;mx,0,0) (x,0,3/4;-mx,0,0) (x+1/2,1/2,1/4;-mx,0,0) (-x+1/2,1/2,1/4;mx,0,0) (-x+1/2,1/2,-1/4;-mx,0,0) (x+1/2,1/2,3/4;mx,0,0) 4f (1/4,3/4,0;0,0,0) (1/4,-3/4,1/2;0,0,0) (-1/4,3/4,1/2;0,0,0) (-1/4,-3/4,0;0,0,0) 4e (1/4,1/4,0;0,0,0) (1/4,-1/4,1/2;0,0,0) (-1/4,1/4,1/2;0,0,0) (-1/4,-1/4,0;0,0,0) 4d (0,1/2,0;0,0,mz) (0,-1/2,1/2;0,0,-mz) (1/2,1,0;0,0,-mz) (1/2,0,1/2;0,0,mz) 4c (0,0,0;0,0,mz) (0,0,1/2;0,0,-mz) (1/2,1/2,0;0,0,-mz) (1/2,1/2,1/2;0,0,mz) 4b (0,1/2,1/4;0,0,0) (0,-1/2,-1/4;0,0,0) (1/2,1,1/4;0,0,0) (1/2,0,-1/4;0,0,0) 4a (0,0,1/4;0,0,0) (0,0,-1/4;0,0,0) (1/2,1/2,1/4;0,0,0) (1/2,1/2,-1/4;0,0,0) ---------- UNI: 49.276 Pccm.1'_I[Ibam] BNS: 49.276 P_Iccm OG: 72.8.637 I_Pbam OG-BNS transformation: (0,0,0;a,b,c) Operators (BNS): (1|0,0,0) (2x|0,0,1/2) (2y|0,0,1/2) (2z|0,0,0) (-1|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (mz|0,0,0) (1|1/2,1/2,1/2)' (2x|1/2,1/2,0)' (2y|1/2,1/2,0)' (2z|1/2,1/2,1/2)' (-1|1/2,1/2,1/2)' (mx|1/2,1/2,0)' (my|1/2,1/2,0)' (mz|1/2,1/2,1/2)' Wyckoff positions (BNS): 16k (x,y,z;mx,my,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x+1/2,y+1/2,-z;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z;mx,-my,mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) 8j (x,y,0;0,0,mz) (x,-y,1/2;0,0,-mz) (-x,y,1/2;0,0,-mz) (-x,-y,0;0,0,mz) (x+1/2,y+1/2,1/2;0,0,-mz) (x+1/2,-y+1/2,0;0,0,mz) (-x+1/2,y+1/2,0;0,0,mz) (-x+1/2,-y+1/2,1/2;0,0,-mz) 8i (0,1/2,z;0,0,mz) (0,1/2,-z+1/2;0,0,-mz) (0,1/2,-z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) (1/2,0,z+1/2;0,0,-mz) (1/2,0,-z;0,0,mz) (1/2,0,-z+1/2;0,0,-mz) (1/2,0,z;0,0,mz) 8h (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (0,0,z+1/2;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) (1/2,1/2,-z;0,0,mz) (1/2,1/2,-z+1/2;0,0,-mz) (1/2,1/2,z;0,0,mz) 8g (0,y,1/4;0,my,0) (0,-y,1/4;0,-my,0) (0,-y,3/4;0,my,0) (0,y,3/4;0,-my,0) (1/2,y+1/2,3/4;0,-my,0) (1/2,-y+1/2,3/4;0,my,0) (1/2,-y+1/2,1/4;0,-my,0) (1/2,y+1/2,1/4;0,my,0) 8f (x,0,1/4;mx,0,0) (-x,0,1/4;-mx,0,0) (-x,0,3/4;mx,0,0) (x,0,3/4;-mx,0,0) (x+1/2,1/2,3/4;-mx,0,0) (-x+1/2,1/2,3/4;mx,0,0) (-x+1/2,1/2,1/4;-mx,0,0) (x+1/2,1/2,1/4;mx,0,0) 8e (1/4,1/4,1/4;0,0,0) (1/4,3/4,1/4;0,0,0) (3/4,1/4,1/4;0,0,0) (3/4,3/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) (3/4,1/4,3/4;0,0,0) (1/4,3/4,3/4;0,0,0) (1/4,1/4,3/4;0,0,0) 4d (1/2,0,0;0,0,mz) (1/2,0,1/2;0,0,-mz) (0,1/2,1/2;0,0,-mz) (0,1/2,0;0,0,mz) 4c (0,0,0;0,0,mz) (0,0,1/2;0,0,-mz) (1/2,1/2,1/2;0,0,-mz) (1/2,1/2,0;0,0,mz) 4b (1/2,0,1/4;0,0,0) (1/2,0,3/4;0,0,0) (0,1/2,3/4;0,0,0) (0,1/2,1/4;0,0,0) 4a (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) (1/2,1/2,3/4;0,0,0) (1/2,1/2,1/4;0,0,0) Operators (OG): (1|0,0,0) (2x|0,0,1/2) (2y|0,0,1/2) (2z|0,0,0) (-1|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (mz|0,0,0) (1|1/2,1/2,1/2)' (2x|1/2,1/2,1)' (2y|1/2,1/2,1)' (2z|1/2,1/2,1/2)' (-1|1/2,1/2,1/2)' (mx|1/2,1/2,1)' (my|1/2,1/2,1)' (mz|1/2,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16k (x,y,z;mx,my,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x+1/2,-y+1/2,-z+1;-mx,my,mz) (-x+1/2,y+1/2,-z+1;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (-x+1/2,y+1/2,z+1;-mx,my,mz) (x+1/2,-y+1/2,z+1;mx,-my,mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) 8j (x,y,0;0,0,mz) (x,-y,1/2;0,0,-mz) (-x,y,1/2;0,0,-mz) (-x,-y,0;0,0,mz) (x+1/2,y+1/2,1/2;0,0,-mz) (x+1/2,-y+1/2,1;0,0,mz) (-x+1/2,y+1/2,1;0,0,mz) (-x+1/2,-y+1/2,1/2;0,0,-mz) 8i (0,1/2,z;0,0,mz) (0,-1/2,-z+1/2;0,0,-mz) (0,-1/2,-z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) (1/2,1,z+1/2;0,0,-mz) (1/2,0,-z+1;0,0,mz) (1/2,0,-z+1/2;0,0,-mz) (1/2,1,z+1;0,0,mz) 8h (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (0,0,z+1/2;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) (1/2,1/2,-z+1;0,0,mz) (1/2,1/2,-z+1/2;0,0,-mz) (1/2,1/2,z+1;0,0,mz) 8g (0,y,1/4;0,my,0) (0,-y,1/4;0,-my,0) (0,-y,-1/4;0,my,0) (0,y,3/4;0,-my,0) (1/2,y+1/2,3/4;0,-my,0) (1/2,-y+1/2,3/4;0,my,0) (1/2,-y+1/2,1/4;0,-my,0) (1/2,y+1/2,5/4;0,my,0) 8f (x,0,1/4;mx,0,0) (-x,0,1/4;-mx,0,0) (-x,0,-1/4;mx,0,0) (x,0,3/4;-mx,0,0) (x+1/2,1/2,3/4;-mx,0,0) (-x+1/2,1/2,3/4;mx,0,0) (-x+1/2,1/2,1/4;-mx,0,0) (x+1/2,1/2,5/4;mx,0,0) 8e (1/4,1/4,1/4;0,0,0) (1/4,-1/4,1/4;0,0,0) (-1/4,1/4,1/4;0,0,0) (-1/4,-1/4,1/4;0,0,0) (-1/4,-1/4,-1/4;0,0,0) (-1/4,1/4,3/4;0,0,0) (1/4,-1/4,3/4;0,0,0) (1/4,1/4,-1/4;0,0,0) 4d (1/2,0,0;0,0,mz) (1/2,0,1/2;0,0,-mz) (1,1/2,1/2;0,0,-mz) (1,1/2,1;0,0,mz) 4c (0,0,0;0,0,mz) (0,0,1/2;0,0,-mz) (1/2,1/2,1/2;0,0,-mz) (1/2,1/2,1;0,0,mz) 4b (1/2,0,1/4;0,0,0) (-1/2,0,-1/4;0,0,0) (1,1/2,3/4;0,0,0) (0,1/2,1/4;0,0,0) 4a (0,0,1/4;0,0,0) (0,0,-1/4;0,0,0) (1/2,1/2,3/4;0,0,0) (1/2,1/2,1/4;0,0,0) ---------- UNI: 50.277 Pban.1 BNS: 50.277 Pban OG: 50.1.377 Pban Operators: (1|0,0,0) (2x|0,1/2,0) (2y|1/2,0,0) (2z|1/2,1/2,0) (-1|0,0,0) (mx|0,1/2,0) (my|1/2,0,0) (mz|1/2,1/2,0) Wyckoff positions: 8m (x,y,z;mx,my,mz) (x,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y,-z;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y+1/2,z;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) 4l (1/4,3/4,z;0,0,mz) (1/4,3/4,-z;0,0,-mz) (3/4,1/4,-z;0,0,mz) (3/4,1/4,z;0,0,-mz) 4k (1/4,1/4,z;0,0,mz) (1/4,1/4,-z;0,0,-mz) (3/4,3/4,-z;0,0,mz) (3/4,3/4,z;0,0,-mz) 4j (1/4,y,1/2;0,my,0) (1/4,-y+1/2,1/2;0,-my,0) (3/4,-y,1/2;0,my,0) (3/4,y+1/2,1/2;0,-my,0) 4i (1/4,y,0;0,my,0) (1/4,-y+1/2,0;0,-my,0) (3/4,-y,0;0,my,0) (3/4,y+1/2,0;0,-my,0) 4h (x,1/4,1/2;mx,0,0) (-x+1/2,1/4,1/2;-mx,0,0) (-x,3/4,1/2;mx,0,0) (x+1/2,3/4,1/2;-mx,0,0) 4g (x,1/4,0;mx,0,0) (-x+1/2,1/4,0;-mx,0,0) (-x,3/4,0;mx,0,0) (x+1/2,3/4,0;-mx,0,0) 4f (0,0,1/2;mx,my,mz) (0,1/2,1/2;mx,-my,-mz) (1/2,0,1/2;-mx,my,-mz) (1/2,1/2,1/2;-mx,-my,mz) 4e (0,0,0;mx,my,mz) (0,1/2,0;mx,-my,-mz) (1/2,0,0;-mx,my,-mz) (1/2,1/2,0;-mx,-my,mz) 2d (1/4,1/4,1/2;0,0,0) (3/4,3/4,1/2;0,0,0) 2c (3/4,1/4,1/2;0,0,0) (1/4,3/4,1/2;0,0,0) 2b (3/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) 2a (1/4,1/4,0;0,0,0) (3/4,3/4,0;0,0,0) ---------- UNI: 50.278 Pban.1' BNS: 50.278 Pban1' OG: 50.2.378 Pban1' Operators: (1|0,0,0) (2x|0,1/2,0) (2y|1/2,0,0) (2z|1/2,1/2,0) (-1|0,0,0) (mx|0,1/2,0) (my|1/2,0,0) (mz|1/2,1/2,0) (1|0,0,0)' (2x|0,1/2,0)' (2y|1/2,0,0)' (2z|1/2,1/2,0)' (-1|0,0,0)' (mx|0,1/2,0)' (my|1/2,0,0)' (mz|1/2,1/2,0)' Wyckoff positions: 8m (x,y,z;0,0,0) (x,-y+1/2,-z;0,0,0) (-x+1/2,y,-z;0,0,0) (-x+1/2,-y+1/2,z;0,0,0) (-x,-y,-z;0,0,0) (-x,y+1/2,z;0,0,0) (x+1/2,-y,z;0,0,0) (x+1/2,y+1/2,-z;0,0,0) 4l (1/4,3/4,z;0,0,0) (1/4,3/4,-z;0,0,0) (3/4,1/4,-z;0,0,0) (3/4,1/4,z;0,0,0) 4k (1/4,1/4,z;0,0,0) (1/4,1/4,-z;0,0,0) (3/4,3/4,-z;0,0,0) (3/4,3/4,z;0,0,0) 4j (1/4,y,1/2;0,0,0) (1/4,-y+1/2,1/2;0,0,0) (3/4,-y,1/2;0,0,0) (3/4,y+1/2,1/2;0,0,0) 4i (1/4,y,0;0,0,0) (1/4,-y+1/2,0;0,0,0) (3/4,-y,0;0,0,0) (3/4,y+1/2,0;0,0,0) 4h (x,1/4,1/2;0,0,0) (-x+1/2,1/4,1/2;0,0,0) (-x,3/4,1/2;0,0,0) (x+1/2,3/4,1/2;0,0,0) 4g (x,1/4,0;0,0,0) (-x+1/2,1/4,0;0,0,0) (-x,3/4,0;0,0,0) (x+1/2,3/4,0;0,0,0) 4f (0,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 4e (0,0,0;0,0,0) (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) (1/2,1/2,0;0,0,0) 2d (1/4,1/4,1/2;0,0,0) (3/4,3/4,1/2;0,0,0) 2c (3/4,1/4,1/2;0,0,0) (1/4,3/4,1/2;0,0,0) 2b (3/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) 2a (1/4,1/4,0;0,0,0) (3/4,3/4,0;0,0,0) ---------- UNI: 50.279 Pb'an BNS: 50.279 Pb'an OG: 50.3.379 Pb'an Operators: (1|0,0,0) (2x|0,1/2,0) (2y|1/2,0,0)' (2z|1/2,1/2,0)' (-1|0,0,0)' (mx|0,1/2,0)' (my|1/2,0,0) (mz|1/2,1/2,0) Wyckoff positions: 8m (x,y,z;mx,my,mz) (x,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y,-z;mx,-my,mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x,y+1/2,z;-mx,my,mz) (x+1/2,-y,z;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) 4l (1/4,3/4,z;mx,my,0) (1/4,3/4,-z;mx,-my,0) (3/4,1/4,-z;-mx,-my,0) (3/4,1/4,z;-mx,my,0) 4k (1/4,1/4,z;mx,my,0) (1/4,1/4,-z;mx,-my,0) (3/4,3/4,-z;-mx,-my,0) (3/4,3/4,z;-mx,my,0) 4j (1/4,y,1/2;mx,0,mz) (1/4,-y+1/2,1/2;mx,0,-mz) (3/4,-y,1/2;-mx,0,-mz) (3/4,y+1/2,1/2;-mx,0,mz) 4i (1/4,y,0;mx,0,mz) (1/4,-y+1/2,0;mx,0,-mz) (3/4,-y,0;-mx,0,-mz) (3/4,y+1/2,0;-mx,0,mz) 4h (x,1/4,1/2;mx,0,0) (-x+1/2,1/4,1/2;mx,0,0) (-x,3/4,1/2;-mx,0,0) (x+1/2,3/4,1/2;-mx,0,0) 4g (x,1/4,0;mx,0,0) (-x+1/2,1/4,0;mx,0,0) (-x,3/4,0;-mx,0,0) (x+1/2,3/4,0;-mx,0,0) 4f (0,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 4e (0,0,0;0,0,0) (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) (1/2,1/2,0;0,0,0) 2d (1/4,1/4,1/2;mx,0,0) (3/4,3/4,1/2;-mx,0,0) 2c (3/4,1/4,1/2;mx,0,0) (1/4,3/4,1/2;-mx,0,0) 2b (3/4,1/4,0;mx,0,0) (1/4,3/4,0;-mx,0,0) 2a (1/4,1/4,0;mx,0,0) (3/4,3/4,0;-mx,0,0) ---------- UNI: 50.280 Pban' BNS: 50.280 Pban' OG: 50.4.380 Pban' Operators: (1|0,0,0) (2x|0,1/2,0)' (2y|1/2,0,0)' (2z|1/2,1/2,0) (-1|0,0,0)' (mx|0,1/2,0) (my|1/2,0,0) (mz|1/2,1/2,0)' Wyckoff positions: 8m (x,y,z;mx,my,mz) (x,-y+1/2,-z;-mx,my,mz) (-x+1/2,y,-z;mx,-my,mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x,y+1/2,z;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x+1/2,y+1/2,-z;mx,my,-mz) 4l (1/4,3/4,z;0,0,mz) (1/4,3/4,-z;0,0,mz) (3/4,1/4,-z;0,0,-mz) (3/4,1/4,z;0,0,-mz) 4k (1/4,1/4,z;0,0,mz) (1/4,1/4,-z;0,0,mz) (3/4,3/4,-z;0,0,-mz) (3/4,3/4,z;0,0,-mz) 4j (1/4,y,1/2;mx,0,mz) (1/4,-y+1/2,1/2;-mx,0,mz) (3/4,-y,1/2;-mx,0,-mz) (3/4,y+1/2,1/2;mx,0,-mz) 4i (1/4,y,0;mx,0,mz) (1/4,-y+1/2,0;-mx,0,mz) (3/4,-y,0;-mx,0,-mz) (3/4,y+1/2,0;mx,0,-mz) 4h (x,1/4,1/2;0,my,mz) (-x+1/2,1/4,1/2;0,-my,mz) (-x,3/4,1/2;0,-my,-mz) (x+1/2,3/4,1/2;0,my,-mz) 4g (x,1/4,0;0,my,mz) (-x+1/2,1/4,0;0,-my,mz) (-x,3/4,0;0,-my,-mz) (x+1/2,3/4,0;0,my,-mz) 4f (0,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 4e (0,0,0;0,0,0) (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) (1/2,1/2,0;0,0,0) 2d (1/4,1/4,1/2;0,0,mz) (3/4,3/4,1/2;0,0,-mz) 2c (3/4,1/4,1/2;0,0,mz) (1/4,3/4,1/2;0,0,-mz) 2b (3/4,1/4,0;0,0,mz) (1/4,3/4,0;0,0,-mz) 2a (1/4,1/4,0;0,0,mz) (3/4,3/4,0;0,0,-mz) ---------- UNI: 50.281 Pb'a'n BNS: 50.281 Pb'a'n OG: 50.5.381 Pb'a'n Operators: (1|0,0,0) (2x|0,1/2,0)' (2y|1/2,0,0)' (2z|1/2,1/2,0) (-1|0,0,0) (mx|0,1/2,0)' (my|1/2,0,0)' (mz|1/2,1/2,0) Wyckoff positions: 8m (x,y,z;mx,my,mz) (x,-y+1/2,-z;-mx,my,mz) (-x+1/2,y,-z;mx,-my,mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y+1/2,z;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) (x+1/2,y+1/2,-z;-mx,-my,mz) 4l (1/4,3/4,z;0,0,mz) (1/4,3/4,-z;0,0,mz) (3/4,1/4,-z;0,0,mz) (3/4,1/4,z;0,0,mz) 4k (1/4,1/4,z;0,0,mz) (1/4,1/4,-z;0,0,mz) (3/4,3/4,-z;0,0,mz) (3/4,3/4,z;0,0,mz) 4j (1/4,y,1/2;mx,0,mz) (1/4,-y+1/2,1/2;-mx,0,mz) (3/4,-y,1/2;mx,0,mz) (3/4,y+1/2,1/2;-mx,0,mz) 4i (1/4,y,0;mx,0,mz) (1/4,-y+1/2,0;-mx,0,mz) (3/4,-y,0;mx,0,mz) (3/4,y+1/2,0;-mx,0,mz) 4h (x,1/4,1/2;0,my,mz) (-x+1/2,1/4,1/2;0,-my,mz) (-x,3/4,1/2;0,my,mz) (x+1/2,3/4,1/2;0,-my,mz) 4g (x,1/4,0;0,my,mz) (-x+1/2,1/4,0;0,-my,mz) (-x,3/4,0;0,my,mz) (x+1/2,3/4,0;0,-my,mz) 4f (0,0,1/2;mx,my,mz) (0,1/2,1/2;-mx,my,mz) (1/2,0,1/2;mx,-my,mz) (1/2,1/2,1/2;-mx,-my,mz) 4e (0,0,0;mx,my,mz) (0,1/2,0;-mx,my,mz) (1/2,0,0;mx,-my,mz) (1/2,1/2,0;-mx,-my,mz) 2d (1/4,1/4,1/2;0,0,mz) (3/4,3/4,1/2;0,0,mz) 2c (3/4,1/4,1/2;0,0,mz) (1/4,3/4,1/2;0,0,mz) 2b (3/4,1/4,0;0,0,mz) (1/4,3/4,0;0,0,mz) 2a (1/4,1/4,0;0,0,mz) (3/4,3/4,0;0,0,mz) ---------- UNI: 50.282 Pb'an' BNS: 50.282 Pb'an' OG: 50.6.382 Pb'an' Operators: (1|0,0,0) (2x|0,1/2,0)' (2y|1/2,0,0) (2z|1/2,1/2,0)' (-1|0,0,0) (mx|0,1/2,0)' (my|1/2,0,0) (mz|1/2,1/2,0)' Wyckoff positions: 8m (x,y,z;mx,my,mz) (x,-y+1/2,-z;-mx,my,mz) (-x+1/2,y,-z;-mx,my,-mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x,-y,-z;mx,my,mz) (-x,y+1/2,z;-mx,my,mz) (x+1/2,-y,z;-mx,my,-mz) (x+1/2,y+1/2,-z;mx,my,-mz) 4l (1/4,3/4,z;mx,my,0) (1/4,3/4,-z;-mx,my,0) (3/4,1/4,-z;mx,my,0) (3/4,1/4,z;-mx,my,0) 4k (1/4,1/4,z;mx,my,0) (1/4,1/4,-z;-mx,my,0) (3/4,3/4,-z;mx,my,0) (3/4,3/4,z;-mx,my,0) 4j (1/4,y,1/2;0,my,0) (1/4,-y+1/2,1/2;0,my,0) (3/4,-y,1/2;0,my,0) (3/4,y+1/2,1/2;0,my,0) 4i (1/4,y,0;0,my,0) (1/4,-y+1/2,0;0,my,0) (3/4,-y,0;0,my,0) (3/4,y+1/2,0;0,my,0) 4h (x,1/4,1/2;0,my,mz) (-x+1/2,1/4,1/2;0,my,-mz) (-x,3/4,1/2;0,my,mz) (x+1/2,3/4,1/2;0,my,-mz) 4g (x,1/4,0;0,my,mz) (-x+1/2,1/4,0;0,my,-mz) (-x,3/4,0;0,my,mz) (x+1/2,3/4,0;0,my,-mz) 4f (0,0,1/2;mx,my,mz) (0,1/2,1/2;-mx,my,mz) (1/2,0,1/2;-mx,my,-mz) (1/2,1/2,1/2;mx,my,-mz) 4e (0,0,0;mx,my,mz) (0,1/2,0;-mx,my,mz) (1/2,0,0;-mx,my,-mz) (1/2,1/2,0;mx,my,-mz) 2d (1/4,1/4,1/2;0,my,0) (3/4,3/4,1/2;0,my,0) 2c (3/4,1/4,1/2;0,my,0) (1/4,3/4,1/2;0,my,0) 2b (3/4,1/4,0;0,my,0) (1/4,3/4,0;0,my,0) 2a (1/4,1/4,0;0,my,0) (3/4,3/4,0;0,my,0) ---------- UNI: 50.283 Pb'a'n' BNS: 50.283 Pb'a'n' OG: 50.7.383 Pb'a'n' Operators: (1|0,0,0) (2x|0,1/2,0) (2y|1/2,0,0) (2z|1/2,1/2,0) (-1|0,0,0)' (mx|0,1/2,0)' (my|1/2,0,0)' (mz|1/2,1/2,0)' Wyckoff positions: 8m (x,y,z;mx,my,mz) (x,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y,-z;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x,y+1/2,z;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) (x+1/2,y+1/2,-z;mx,my,-mz) 4l (1/4,3/4,z;0,0,mz) (1/4,3/4,-z;0,0,-mz) (3/4,1/4,-z;0,0,-mz) (3/4,1/4,z;0,0,mz) 4k (1/4,1/4,z;0,0,mz) (1/4,1/4,-z;0,0,-mz) (3/4,3/4,-z;0,0,-mz) (3/4,3/4,z;0,0,mz) 4j (1/4,y,1/2;0,my,0) (1/4,-y+1/2,1/2;0,-my,0) (3/4,-y,1/2;0,-my,0) (3/4,y+1/2,1/2;0,my,0) 4i (1/4,y,0;0,my,0) (1/4,-y+1/2,0;0,-my,0) (3/4,-y,0;0,-my,0) (3/4,y+1/2,0;0,my,0) 4h (x,1/4,1/2;mx,0,0) (-x+1/2,1/4,1/2;-mx,0,0) (-x,3/4,1/2;-mx,0,0) (x+1/2,3/4,1/2;mx,0,0) 4g (x,1/4,0;mx,0,0) (-x+1/2,1/4,0;-mx,0,0) (-x,3/4,0;-mx,0,0) (x+1/2,3/4,0;mx,0,0) 4f (0,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 4e (0,0,0;0,0,0) (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) (1/2,1/2,0;0,0,0) 2d (1/4,1/4,1/2;0,0,0) (3/4,3/4,1/2;0,0,0) 2c (3/4,1/4,1/2;0,0,0) (1/4,3/4,1/2;0,0,0) 2b (3/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) 2a (1/4,1/4,0;0,0,0) (3/4,3/4,0;0,0,0) ---------- UNI: 50.284 Pban.1'_a[Pbmb] BNS: 50.284 P_aban OG: 49.12.375 P_2ac'c'm' OG-BNS transformation: (1/2,0,0;-2a,c,b) Operators (BNS): (1|0,0,0) (2x|0,1/2,0) (2y|1/2,0,0) (2z|1/2,1/2,0) (-1|0,0,0) (mx|0,1/2,0) (my|1/2,0,0) (mz|1/2,1/2,0) (1|1/2,0,0)' (2x|1/2,1/2,0)' (2y|0,0,0)' (2z|0,1/2,0)' (-1|1/2,0,0)' (mx|1/2,1/2,0)' (my|0,0,0)' (mz|0,1/2,0)' Wyckoff positions (BNS): 16r (x,y,z;mx,my,mz) (x,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y,-z;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y+1/2,z;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (x+1/2,y,z;-mx,-my,-mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y+1/2,z;mx,my,-mz) (-x+1/2,-y,-z;-mx,-my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x,y+1/2,-z;mx,my,-mz) 8q (x,0,z;mx,0,mz) (x,1/2,-z;mx,0,-mz) (-x+1/2,0,-z;-mx,0,-mz) (-x+1/2,1/2,z;-mx,0,mz) (-x,0,-z;mx,0,mz) (-x,1/2,z;mx,0,-mz) (x+1/2,0,z;-mx,0,-mz) (x+1/2,1/2,-z;-mx,0,mz) 8p (0,y,0;mx,0,mz) (0,-y+1/2,0;mx,0,-mz) (1/2,y,0;-mx,0,-mz) (1/2,-y+1/2,0;-mx,0,mz) (0,-y,0;mx,0,mz) (0,y+1/2,0;mx,0,-mz) (1/2,-y,0;-mx,0,-mz) (1/2,y+1/2,0;-mx,0,mz) 8o (1/4,y,1/2;0,my,0) (1/4,-y+1/2,1/2;0,-my,0) (3/4,-y,1/2;0,my,0) (3/4,y+1/2,1/2;0,-my,0) (3/4,y,1/2;0,-my,0) (3/4,-y+1/2,1/2;0,my,0) (1/4,-y,1/2;0,-my,0) (1/4,y+1/2,1/2;0,my,0) 8n (0,y,1/2;mx,0,mz) (0,-y+1/2,1/2;mx,0,-mz) (1/2,y,1/2;-mx,0,-mz) (1/2,-y+1/2,1/2;-mx,0,mz) (0,-y,1/2;mx,0,mz) (0,y+1/2,1/2;mx,0,-mz) (1/2,-y,1/2;-mx,0,-mz) (1/2,y+1/2,1/2;-mx,0,mz) 8m (1/4,y,0;0,my,0) (1/4,-y+1/2,0;0,-my,0) (3/4,-y,0;0,my,0) (3/4,y+1/2,0;0,-my,0) (3/4,y,0;0,-my,0) (3/4,-y+1/2,0;0,my,0) (1/4,-y,0;0,-my,0) (1/4,y+1/2,0;0,my,0) 8l (0,1/4,z;mx,my,0) (0,1/4,-z;mx,-my,0) (1/2,1/4,-z;-mx,my,0) (1/2,1/4,z;-mx,-my,0) (0,3/4,-z;mx,my,0) (0,3/4,z;mx,-my,0) (1/2,3/4,z;-mx,my,0) (1/2,3/4,-z;-mx,-my,0) 8k (1/4,1/4,z;0,0,mz) (1/4,1/4,-z;0,0,-mz) (3/4,3/4,-z;0,0,mz) (3/4,3/4,z;0,0,-mz) (3/4,1/4,z;0,0,-mz) (3/4,1/4,-z;0,0,mz) (1/4,3/4,-z;0,0,-mz) (1/4,3/4,z;0,0,mz) 8j (x,1/4,1/2;mx,0,0) (-x+1/2,1/4,1/2;-mx,0,0) (-x,3/4,1/2;mx,0,0) (x+1/2,3/4,1/2;-mx,0,0) (x+1/2,1/4,1/2;-mx,0,0) (-x,1/4,1/2;mx,0,0) (-x+1/2,3/4,1/2;-mx,0,0) (x,3/4,1/2;mx,0,0) 8i (x,1/4,0;mx,0,0) (-x+1/2,1/4,0;-mx,0,0) (-x,3/4,0;mx,0,0) (x+1/2,3/4,0;-mx,0,0) (x+1/2,1/4,0;-mx,0,0) (-x,1/4,0;mx,0,0) (-x+1/2,3/4,0;-mx,0,0) (x,3/4,0;mx,0,0) 4h (0,1/4,1/2;mx,0,0) (1/2,1/4,1/2;-mx,0,0) (0,3/4,1/2;mx,0,0) (1/2,3/4,1/2;-mx,0,0) 4g (1/4,1/4,1/2;0,0,0) (3/4,3/4,1/2;0,0,0) (3/4,1/4,1/2;0,0,0) (1/4,3/4,1/2;0,0,0) 4f (0,1/4,0;mx,0,0) (1/2,1/4,0;-mx,0,0) (0,3/4,0;mx,0,0) (1/2,3/4,0;-mx,0,0) 4e (1/4,1/4,0;0,0,0) (3/4,3/4,0;0,0,0) (3/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) 4d (0,0,0;mx,0,mz) (0,1/2,0;mx,0,-mz) (1/2,0,0;-mx,0,-mz) (1/2,1/2,0;-mx,0,mz) 4c (1/4,0,1/2;0,0,0) (1/4,1/2,1/2;0,0,0) (3/4,0,1/2;0,0,0) (3/4,1/2,1/2;0,0,0) 4b (0,0,1/2;mx,0,mz) (0,1/2,1/2;mx,0,-mz) (1/2,0,1/2;-mx,0,-mz) (1/2,1/2,1/2;-mx,0,mz) 4a (1/4,0,0;0,0,0) (1/4,1/2,0;0,0,0) (3/4,0,0;0,0,0) (3/4,1/2,0;0,0,0) Operators (OG): (1|0,0,0) (2x|0,0,1/2) (2z|0,0,0) (2y|0,0,1/2) (-1|1,0,0) (mx|1,0,1/2) (mz|1,0,0) (my|1,0,1/2) (1|1,0,0)' (2x|1,0,1/2)' (2z|1,0,0)' (2y|1,0,1/2)' (-1|0,0,0)' (mx|0,0,1/2)' (mz|0,0,0)' (my|0,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (-2,0,0)+ (0,0,1)+ (0,1,0)+ 16r (x,y,z;mx,my,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,-y,z;-mx,-my,mz) (-x,y,-z+1/2;-mx,my,-mz) (-x+1,-y,-z;mx,my,mz) (-x+1,y,z+1/2;mx,-my,-mz) (x+1,y,-z;-mx,-my,mz) (x+1,-y,z+1/2;-mx,my,-mz) (x+1,y,z;-mx,-my,-mz) (x+1,-y,-z+1/2;-mx,my,mz) (-x+1,-y,z;mx,my,-mz) (-x+1,y,-z+1/2;mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z+1/2;-mx,my,mz) (x,y,-z;mx,my,-mz) (x,-y,z+1/2;mx,-my,mz) 8q (x,y,0;mx,my,0) (x,-y,1/2;mx,-my,0) (-x,-y,0;-mx,-my,0) (-x,y,1/2;-mx,my,0) (-x+1,-y,0;mx,my,0) (-x+1,y,1/2;mx,-my,0) (x+1,y,0;-mx,-my,0) (x+1,-y,1/2;-mx,my,0) 8p (1/2,0,z;mx,my,0) (1/2,0,-z+1/2;mx,-my,0) (-1/2,0,z;-mx,-my,0) (-1/2,0,-z+1/2;-mx,my,0) (1/2,0,-z;mx,my,0) (1/2,0,z+1/2;mx,-my,0) (3/2,0,-z;-mx,-my,0) (3/2,0,z+1/2;-mx,my,0) 8o (0,1/2,z;0,0,mz) (0,-1/2,-z+1/2;0,0,-mz) (1,-1/2,-z;0,0,mz) (1,1/2,z+1/2;0,0,-mz) (1,1/2,z;0,0,-mz) (1,-1/2,-z+1/2;0,0,mz) (0,-1/2,-z;0,0,-mz) (0,1/2,z+1/2;0,0,mz) 8n (1/2,1/2,z;mx,my,0) (1/2,-1/2,-z+1/2;mx,-my,0) (-1/2,-1/2,z;-mx,-my,0) (-1/2,1/2,-z+1/2;-mx,my,0) (1/2,-1/2,-z;mx,my,0) (1/2,1/2,z+1/2;mx,-my,0) (3/2,1/2,-z;-mx,-my,0) (3/2,-1/2,z+1/2;-mx,my,0) 8m (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (1,0,-z;0,0,mz) (1,0,z+1/2;0,0,-mz) (1,0,z;0,0,-mz) (1,0,-z+1/2;0,0,mz) (0,0,-z;0,0,-mz) (0,0,z+1/2;0,0,mz) 8l (1/2,y,1/4;mx,0,mz) (1/2,-y,1/4;mx,0,-mz) (-1/2,-y,1/4;-mx,0,mz) (-1/2,y,1/4;-mx,0,-mz) (1/2,-y,-1/4;mx,0,mz) (1/2,y,3/4;mx,0,-mz) (3/2,y,-1/4;-mx,0,mz) (3/2,-y,3/4;-mx,0,-mz) 8k (0,y,1/4;0,my,0) (0,-y,1/4;0,-my,0) (1,-y,-1/4;0,my,0) (1,y,3/4;0,-my,0) (1,y,1/4;0,-my,0) (1,-y,1/4;0,my,0) (0,-y,-1/4;0,-my,0) (0,y,3/4;0,my,0) 8j (x,1/2,1/4;mx,0,0) (-x,-1/2,1/4;-mx,0,0) (-x+1,-1/2,-1/4;mx,0,0) (x+1,1/2,-1/4;-mx,0,0) (x+1,1/2,1/4;-mx,0,0) (-x+1,-1/2,1/4;mx,0,0) (-x,-1/2,-1/4;-mx,0,0) (x,1/2,-1/4;mx,0,0) 8i (x,0,1/4;mx,0,0) (-x,0,1/4;-mx,0,0) (-x+1,0,-1/4;mx,0,0) (x+1,0,-1/4;-mx,0,0) (x+1,0,1/4;-mx,0,0) (-x+1,0,1/4;mx,0,0) (-x,0,-1/4;-mx,0,0) (x,0,-1/4;mx,0,0) 4h (1/2,1/2,1/4;mx,0,0) (-1/2,-1/2,1/4;-mx,0,0) (1/2,-1/2,-1/4;mx,0,0) (3/2,1/2,-1/4;-mx,0,0) 4g (0,1/2,1/4;0,0,0) (1,-1/2,-1/4;0,0,0) (1,1/2,1/4;0,0,0) (0,-1/2,-1/4;0,0,0) 4f (1/2,0,1/4;mx,0,0) (-1/2,0,1/4;-mx,0,0) (1/2,0,-1/4;mx,0,0) (3/2,0,-1/4;-mx,0,0) 4e (0,0,1/4;0,0,0) (1,0,-1/4;0,0,0) (1,0,1/4;0,0,0) (0,0,-1/4;0,0,0) 4d (1/2,0,0;mx,my,0) (1/2,0,1/2;mx,-my,0) (-1/2,0,0;-mx,-my,0) (-1/2,0,1/2;-mx,my,0) 4c (0,1/2,0;0,0,0) (0,-1/2,1/2;0,0,0) (1,-1/2,0;0,0,0) (1,1/2,1/2;0,0,0) 4b (1/2,1/2,0;mx,my,0) (1/2,-1/2,1/2;mx,-my,0) (-1/2,-1/2,0;-mx,-my,0) (-1/2,1/2,1/2;-mx,my,0) 4a (0,0,0;0,0,0) (0,0,1/2;0,0,0) (1,0,0;0,0,0) (1,0,1/2;0,0,0) ---------- UNI: 50.285 Pban.1'_c[Pban] BNS: 50.285 P_cban OG: 50.8.384 P_2cban OG-BNS transformation: (0,0,0;a,b,2c) Operators (BNS): (1|0,0,0) (2x|0,1/2,0) (2y|1/2,0,0) (2z|1/2,1/2,0) (-1|0,0,0) (mx|0,1/2,0) (my|1/2,0,0) (mz|1/2,1/2,0) (1|0,0,1/2)' (2x|0,1/2,1/2)' (2y|1/2,0,1/2)' (2z|1/2,1/2,1/2)' (-1|0,0,1/2)' (mx|0,1/2,1/2)' (my|1/2,0,1/2)' (mz|1/2,1/2,1/2)' Wyckoff positions (BNS): 16m (x,y,z;mx,my,mz) (x,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y,-z;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y+1/2,z;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (x,y,z+1/2;-mx,-my,-mz) (x,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x,-y,-z+1/2;-mx,-my,-mz) (-x,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) 8l (1/4,3/4,z;0,0,mz) (1/4,3/4,-z;0,0,-mz) (3/4,1/4,-z;0,0,mz) (3/4,1/4,z;0,0,-mz) (1/4,3/4,z+1/2;0,0,-mz) (1/4,3/4,-z+1/2;0,0,mz) (3/4,1/4,-z+1/2;0,0,-mz) (3/4,1/4,z+1/2;0,0,mz) 8k (1/4,1/4,z;0,0,mz) (1/4,1/4,-z;0,0,-mz) (3/4,3/4,-z;0,0,mz) (3/4,3/4,z;0,0,-mz) (1/4,1/4,z+1/2;0,0,-mz) (1/4,1/4,-z+1/2;0,0,mz) (3/4,3/4,-z+1/2;0,0,-mz) (3/4,3/4,z+1/2;0,0,mz) 8j (1/4,y,1/4;mx,0,mz) (1/4,-y+1/2,3/4;mx,0,-mz) (1/4,y,3/4;-mx,0,-mz) (1/4,-y+1/2,1/4;-mx,0,mz) (3/4,-y,3/4;mx,0,mz) (3/4,y+1/2,1/4;mx,0,-mz) (3/4,-y,1/4;-mx,0,-mz) (3/4,y+1/2,3/4;-mx,0,mz) 8i (1/4,y,0;0,my,0) (1/4,-y+1/2,0;0,-my,0) (3/4,-y,0;0,my,0) (3/4,y+1/2,0;0,-my,0) (1/4,y,1/2;0,-my,0) (1/4,-y+1/2,1/2;0,my,0) (3/4,-y,1/2;0,-my,0) (3/4,y+1/2,1/2;0,my,0) 8h (x,1/4,1/4;0,my,mz) (x,1/4,3/4;0,-my,-mz) (-x+1/2,1/4,3/4;0,my,-mz) (-x+1/2,1/4,1/4;0,-my,mz) (-x,3/4,3/4;0,my,mz) (-x,3/4,1/4;0,-my,-mz) (x+1/2,3/4,1/4;0,my,-mz) (x+1/2,3/4,3/4;0,-my,mz) 8g (x,1/4,0;mx,0,0) (-x+1/2,1/4,0;-mx,0,0) (-x,3/4,0;mx,0,0) (x+1/2,3/4,0;-mx,0,0) (x,1/4,1/2;-mx,0,0) (-x+1/2,1/4,1/2;mx,0,0) (-x,3/4,1/2;-mx,0,0) (x+1/2,3/4,1/2;mx,0,0) 8f (0,0,1/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,0,3/4;0,0,0) (1/2,1/2,1/4;0,0,0) (0,0,3/4;0,0,0) (0,1/2,1/4;0,0,0) (1/2,0,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) 8e (0,0,0;mx,my,mz) (0,1/2,0;mx,-my,-mz) (1/2,0,0;-mx,my,-mz) (1/2,1/2,0;-mx,-my,mz) (0,0,1/2;-mx,-my,-mz) (0,1/2,1/2;-mx,my,mz) (1/2,0,1/2;mx,-my,mz) (1/2,1/2,1/2;mx,my,-mz) 4d (1/4,1/4,1/4;0,0,mz) (1/4,1/4,3/4;0,0,-mz) (3/4,3/4,3/4;0,0,mz) (3/4,3/4,1/4;0,0,-mz) 4c (3/4,1/4,1/4;0,0,mz) (3/4,1/4,3/4;0,0,-mz) (1/4,3/4,3/4;0,0,mz) (1/4,3/4,1/4;0,0,-mz) 4b (3/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) (3/4,1/4,1/2;0,0,0) (1/4,3/4,1/2;0,0,0) 4a (1/4,1/4,0;0,0,0) (3/4,3/4,0;0,0,0) (1/4,1/4,1/2;0,0,0) (3/4,3/4,1/2;0,0,0) Operators (OG): (1|0,0,0) (2x|0,1/2,0) (2y|1/2,0,0) (2z|1/2,1/2,0) (-1|0,0,0) (mx|0,1/2,0) (my|1/2,0,0) (mz|1/2,1/2,0) (1|0,0,1)' (2x|0,1/2,1)' (2y|1/2,0,1)' (2z|1/2,1/2,1)' (-1|0,0,1)' (mx|0,1/2,1)' (my|1/2,0,1)' (mz|1/2,1/2,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 16m (x,y,z;mx,my,mz) (x,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y,-z;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y+1/2,z;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (x,y,z+1;-mx,-my,-mz) (x,-y+1/2,-z+1;-mx,my,mz) (-x+1/2,y,-z+1;mx,-my,mz) (-x+1/2,-y+1/2,z+1;mx,my,-mz) (-x,-y,-z+1;-mx,-my,-mz) (-x,y+1/2,z+1;-mx,my,mz) (x+1/2,-y,z+1;mx,-my,mz) (x+1/2,y+1/2,-z+1;mx,my,-mz) 8l (1/4,3/4,z;0,0,mz) (1/4,-1/4,-z;0,0,-mz) (-1/4,-3/4,-z;0,0,mz) (-1/4,5/4,z;0,0,-mz) (1/4,3/4,z+1;0,0,-mz) (1/4,-1/4,-z+1;0,0,mz) (-1/4,-3/4,-z+1;0,0,-mz) (-1/4,5/4,z+1;0,0,mz) 8k (1/4,1/4,z;0,0,mz) (1/4,1/4,-z;0,0,-mz) (-1/4,-1/4,-z;0,0,mz) (-1/4,3/4,z;0,0,-mz) (1/4,1/4,z+1;0,0,-mz) (1/4,1/4,-z+1;0,0,mz) (-1/4,-1/4,-z+1;0,0,-mz) (-1/4,3/4,z+1;0,0,mz) 8j (1/4,y,1/2;mx,0,mz) (1/4,-y+1/2,-1/2;mx,0,-mz) (1/4,y,-1/2;-mx,0,-mz) (1/4,-y+1/2,1/2;-mx,0,mz) (-1/4,-y,-1/2;mx,0,mz) (-1/4,y+1/2,1/2;mx,0,-mz) (3/4,-y,1/2;-mx,0,-mz) (3/4,y+1/2,-1/2;-mx,0,mz) 8i (1/4,y,0;0,my,0) (1/4,-y+1/2,0;0,-my,0) (-1/4,-y,0;0,my,0) (-1/4,y+1/2,0;0,-my,0) (1/4,y,1;0,-my,0) (1/4,-y+1/2,1;0,my,0) (-1/4,-y,1;0,-my,0) (-1/4,y+1/2,1;0,my,0) 8h (x,1/4,1/2;0,my,mz) (x,1/4,-1/2;0,-my,-mz) (-x+1/2,1/4,-1/2;0,my,-mz) (-x+1/2,1/4,1/2;0,-my,mz) (-x,-1/4,-1/2;0,my,mz) (-x,3/4,1/2;0,-my,-mz) (x+1/2,-1/4,1/2;0,my,-mz) (x+1/2,3/4,-1/2;0,-my,mz) 8g (x,1/4,0;mx,0,0) (-x+1/2,1/4,0;-mx,0,0) (-x,-1/4,0;mx,0,0) (x+1/2,-1/4,0;-mx,0,0) (x,1/4,1;-mx,0,0) (-x+1/2,1/4,1;mx,0,0) (-x,-1/4,1;-mx,0,0) (x+1/2,-1/4,1;mx,0,0) 8f (0,0,1/2;0,0,0) (0,1/2,-1/2;0,0,0) (1/2,0,-1/2;0,0,0) (1/2,1/2,1/2;0,0,0) (0,0,-1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,-1/2;0,0,0) 8e (0,0,0;mx,my,mz) (0,1/2,0;mx,-my,-mz) (1/2,0,0;-mx,my,-mz) (1/2,1/2,0;-mx,-my,mz) (0,0,1;-mx,-my,-mz) (0,1/2,1;-mx,my,mz) (1/2,0,1;mx,-my,mz) (1/2,1/2,1;mx,my,-mz) 4d (1/4,1/4,1/2;0,0,mz) (1/4,1/4,-1/2;0,0,-mz) (-1/4,-1/4,-1/2;0,0,mz) (-1/4,3/4,1/2;0,0,-mz) 4c (3/4,1/4,1/2;0,0,mz) (3/4,1/4,-1/2;0,0,-mz) (-3/4,-1/4,-1/2;0,0,mz) (-3/4,3/4,1/2;0,0,-mz) 4b (3/4,1/4,0;0,0,0) (-3/4,-1/4,0;0,0,0) (3/4,1/4,1;0,0,0) (-3/4,-1/4,1;0,0,0) 4a (1/4,1/4,0;0,0,0) (-1/4,-1/4,0;0,0,0) (1/4,1/4,1;0,0,0) (-1/4,-1/4,1;0,0,0) ---------- UNI: 50.286 Pban.1'_A[Acaa] BNS: 50.286 P_Aban OG: 68.8.601 C_Pcca OG-BNS transformation: (0,1/2,0;c,-b,a) Operators (BNS): (1|0,0,0) (2x|0,1/2,0) (2y|1/2,0,0) (2z|1/2,1/2,0) (-1|0,0,0) (mx|0,1/2,0) (my|1/2,0,0) (mz|1/2,1/2,0) (1|0,1/2,1/2)' (2x|0,0,1/2)' (2y|1/2,1/2,1/2)' (2z|1/2,0,1/2)' (-1|0,1/2,1/2)' (mx|0,0,1/2)' (my|1/2,1/2,1/2)' (mz|1/2,0,1/2)' Wyckoff positions (BNS): 16i (x,y,z;mx,my,mz) (x,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y,-z;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y+1/2,z;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x,-y+1/2,-z+1/2;-mx,-my,-mz) (-x,y,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (x+1/2,y,-z+1/2;mx,my,-mz) 8h (x,1/2,1/4;0,my,mz) (x,0,3/4;0,-my,-mz) (-x+1/2,1/2,3/4;0,my,-mz) (-x+1/2,0,1/4;0,-my,mz) (-x,1/2,3/4;0,my,mz) (-x,0,1/4;0,-my,-mz) (x+1/2,1/2,1/4;0,my,-mz) (x+1/2,0,3/4;0,-my,mz) 8g (x,1/4,0;mx,0,0) (-x+1/2,1/4,0;-mx,0,0) (-x,3/4,0;mx,0,0) (x+1/2,3/4,0;-mx,0,0) (x,3/4,1/2;-mx,0,0) (-x+1/2,3/4,1/2;mx,0,0) (-x,1/4,1/2;-mx,0,0) (x+1/2,1/4,1/2;mx,0,0) 8f (1/4,y,0;0,my,0) (1/4,-y+1/2,0;0,-my,0) (3/4,-y,0;0,my,0) (3/4,y+1/2,0;0,-my,0) (1/4,y+1/2,1/2;0,-my,0) (1/4,-y,1/2;0,my,0) (3/4,-y+1/2,1/2;0,-my,0) (3/4,y,1/2;0,my,0) 8e (1/4,1/4,z;0,0,mz) (1/4,1/4,-z;0,0,-mz) (3/4,3/4,-z;0,0,mz) (3/4,3/4,z;0,0,-mz) (1/4,3/4,z+1/2;0,0,-mz) (1/4,3/4,-z+1/2;0,0,mz) (3/4,1/4,-z+1/2;0,0,-mz) (3/4,1/4,z+1/2;0,0,mz) 8d (0,1/2,0;mx,my,mz) (0,0,0;mx,-my,-mz) (1/2,1/2,0;-mx,my,-mz) (1/2,0,0;-mx,-my,mz) (0,0,1/2;-mx,-my,-mz) (0,1/2,1/2;-mx,my,mz) (1/2,0,1/2;mx,-my,mz) (1/2,1/2,1/2;mx,my,-mz) 8c (0,3/4,1/4;0,0,0) (0,3/4,3/4;0,0,0) (1/2,3/4,3/4;0,0,0) (1/2,3/4,1/4;0,0,0) (0,1/4,3/4;0,0,0) (0,1/4,1/4;0,0,0) (1/2,1/4,1/4;0,0,0) (1/2,1/4,3/4;0,0,0) 4b (3/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) (3/4,3/4,1/2;0,0,0) (1/4,1/4,1/2;0,0,0) 4a (1/4,1/4,0;0,0,0) (3/4,3/4,0;0,0,0) (1/4,3/4,1/2;0,0,0) (3/4,1/4,1/2;0,0,0) Operators (OG): (1|0,0,0) (2z|0,1/2,0) (2y|0,0,1/2) (2x|0,1/2,1/2) (-1|1,1,0) (mz|1,1/2,0) (my|1,1,1/2) (mx|1,1/2,1/2) (1|1/2,1/2,0)' (2z|1/2,1,0)' (2y|1/2,1/2,1/2)' (2x|1/2,1,1/2)' (-1|1/2,1/2,0)' (mz|1/2,0,0)' (my|1/2,1/2,1/2)' (mx|1/2,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (0,0,1)+ (0,-1,0)+ (1,0,0)+ 16i (x,y,z;mx,my,mz) (-x,-y+1/2,z;-mx,-my,mz) (-x,y,-z+1/2;-mx,my,-mz) (x,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1,-y+1,-z;mx,my,mz) (x+1,y+1/2,-z;-mx,-my,mz) (x+1,-y+1,z+1/2;-mx,my,-mz) (-x+1,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x+1/2,-y+1,z;mx,my,-mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (x+1/2,-y+1,-z+1/2;-mx,my,mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (x+1/2,y,-z;mx,my,-mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (-x+1/2,y,z+1/2;-mx,my,mz) 8h (1/4,0,z;mx,my,0) (-1/4,1/2,z;-mx,-my,0) (-1/4,0,-z+1/2;-mx,my,0) (1/4,1/2,-z+1/2;mx,-my,0) (3/4,1,-z;mx,my,0) (5/4,1/2,-z;-mx,-my,0) (5/4,1,z+1/2;-mx,my,0) (3/4,1/2,z+1/2;mx,-my,0) 8g (0,1/4,z;0,0,mz) (0,1/4,-z+1/2;0,0,-mz) (1,3/4,-z;0,0,mz) (1,3/4,z+1/2;0,0,-mz) (1/2,3/4,z;0,0,-mz) (1/2,3/4,-z+1/2;0,0,mz) (1/2,1/4,-z;0,0,-mz) (1/2,1/4,z+1/2;0,0,mz) 8f (0,y,1/4;0,my,0) (0,-y+1/2,1/4;0,-my,0) (1,-y+1,-1/4;0,my,0) (1,y+1/2,-1/4;0,-my,0) (1/2,y+1/2,1/4;0,-my,0) (1/2,-y+1,1/4;0,my,0) (1/2,-y+1/2,-1/4;0,-my,0) (1/2,y,-1/4;0,my,0) 8e (x,1/4,1/4;mx,0,0) (-x,1/4,1/4;-mx,0,0) (-x+1,3/4,-1/4;mx,0,0) (x+1,3/4,-1/4;-mx,0,0) (x+1/2,3/4,1/4;-mx,0,0) (-x+1/2,3/4,1/4;mx,0,0) (-x+1/2,1/4,-1/4;-mx,0,0) (x+1/2,1/4,-1/4;mx,0,0) 8d (0,0,0;mx,my,mz) (0,1/2,0;-mx,-my,mz) (0,0,1/2;-mx,my,-mz) (0,1/2,1/2;mx,-my,-mz) (1/2,1/2,0;-mx,-my,-mz) (1/2,1,0;mx,my,-mz) (1/2,1/2,1/2;mx,-my,mz) (1/2,1,1/2;-mx,my,mz) 8c (1/4,3/4,0;0,0,0) (-1/4,-1/4,0;0,0,0) (-1/4,3/4,1/2;0,0,0) (1/4,-1/4,1/2;0,0,0) (3/4,1/4,0;0,0,0) (5/4,5/4,0;0,0,0) (5/4,1/4,1/2;0,0,0) (3/4,5/4,1/2;0,0,0) 4b (0,1/4,3/4;0,0,0) (1,3/4,-3/4;0,0,0) (1/2,3/4,3/4;0,0,0) (1/2,1/4,-3/4;0,0,0) 4a (0,1/4,1/4;0,0,0) (1,3/4,-1/4;0,0,0) (1/2,3/4,1/4;0,0,0) (1/2,1/4,-1/4;0,0,0) ---------- UNI: 50.287 Pban.1'_C[Cmmm] BNS: 50.287 P_Cban OG: 65.17.561 C_Pm'm'm' OG-BNS transformation: (-1/4,-1/4,0;a,b,c) Operators (BNS): (1|0,0,0) (2x|0,1/2,0) (2y|1/2,0,0) (2z|1/2,1/2,0) (-1|0,0,0) (mx|0,1/2,0) (my|1/2,0,0) (mz|1/2,1/2,0) (1|1/2,1/2,0)' (2x|1/2,0,0)' (2y|0,1/2,0)' (2z|0,0,0)' (-1|1/2,1/2,0)' (mx|1/2,0,0)' (my|0,1/2,0)' (mz|0,0,0)' Wyckoff positions (BNS): 16r (x,y,z;mx,my,mz) (x,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y,-z;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y+1/2,z;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x+1/2,-y,-z;-mx,my,mz) (-x,y+1/2,-z;mx,-my,mz) (-x,-y,z;mx,my,-mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (-x+1/2,y,z;-mx,my,mz) (x,-y+1/2,z;mx,-my,mz) (x,y,-z;mx,my,-mz) 8q (x,y,1/2;mx,my,0) (x,-y+1/2,1/2;mx,-my,0) (-x+1/2,y,1/2;-mx,my,0) (-x+1/2,-y+1/2,1/2;-mx,-my,0) (-x,-y,1/2;mx,my,0) (-x,y+1/2,1/2;mx,-my,0) (x+1/2,-y,1/2;-mx,my,0) (x+1/2,y+1/2,1/2;-mx,-my,0) 8p (x,y,0;mx,my,0) (x,-y+1/2,0;mx,-my,0) (-x+1/2,y,0;-mx,my,0) (-x+1/2,-y+1/2,0;-mx,-my,0) (-x,-y,0;mx,my,0) (-x,y+1/2,0;mx,-my,0) (x+1/2,-y,0;-mx,my,0) (x+1/2,y+1/2,0;-mx,-my,0) 8o (x,1/4,z;mx,0,mz) (x,1/4,-z;mx,0,-mz) (-x+1/2,1/4,-z;-mx,0,-mz) (-x+1/2,1/4,z;-mx,0,mz) (-x,3/4,-z;mx,0,mz) (-x,3/4,z;mx,0,-mz) (x+1/2,3/4,z;-mx,0,-mz) (x+1/2,3/4,-z;-mx,0,mz) 8n (1/4,y,z;0,my,mz) (1/4,-y+1/2,-z;0,-my,-mz) (1/4,y,-z;0,my,-mz) (1/4,-y+1/2,z;0,-my,mz) (3/4,-y,-z;0,my,mz) (3/4,y+1/2,z;0,-my,-mz) (3/4,-y,z;0,my,-mz) (3/4,y+1/2,-z;0,-my,mz) 8m (1/2,1/2,z;mx,my,0) (1/2,0,-z;mx,-my,0) (0,1/2,-z;-mx,my,0) (0,0,z;-mx,-my,0) (1/2,1/2,-z;mx,my,0) (1/2,0,z;mx,-my,0) (0,1/2,z;-mx,my,0) (0,0,-z;-mx,-my,0) 4l (1/4,3/4,z;0,0,mz) (1/4,3/4,-z;0,0,-mz) (3/4,1/4,-z;0,0,mz) (3/4,1/4,z;0,0,-mz) 4k (1/4,1/4,z;0,0,mz) (1/4,1/4,-z;0,0,-mz) (3/4,3/4,-z;0,0,mz) (3/4,3/4,z;0,0,-mz) 4j (1/4,y,1/2;0,my,0) (1/4,-y+1/2,1/2;0,-my,0) (3/4,-y,1/2;0,my,0) (3/4,y+1/2,1/2;0,-my,0) 4i (1/4,y,0;0,my,0) (1/4,-y+1/2,0;0,-my,0) (3/4,-y,0;0,my,0) (3/4,y+1/2,0;0,-my,0) 4h (x,1/4,1/2;mx,0,0) (-x+1/2,1/4,1/2;-mx,0,0) (-x,3/4,1/2;mx,0,0) (x+1/2,3/4,1/2;-mx,0,0) 4g (x,1/4,0;mx,0,0) (-x+1/2,1/4,0;-mx,0,0) (-x,3/4,0;mx,0,0) (x+1/2,3/4,0;-mx,0,0) 4f (1/2,1/2,1/2;mx,my,0) (1/2,0,1/2;mx,-my,0) (0,1/2,1/2;-mx,my,0) (0,0,1/2;-mx,-my,0) 4e (1/2,1/2,0;mx,my,0) (1/2,0,0;mx,-my,0) (0,1/2,0;-mx,my,0) (0,0,0;-mx,-my,0) 2d (1/4,1/4,1/2;0,0,0) (3/4,3/4,1/2;0,0,0) 2c (3/4,1/4,1/2;0,0,0) (1/4,3/4,1/2;0,0,0) 2b (3/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) 2a (1/4,1/4,0;0,0,0) (3/4,3/4,0;0,0,0) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (-1|1/2,1/2,0) (mx|1/2,1/2,0) (my|1/2,1/2,0) (mz|1/2,1/2,0) (1|1/2,1/2,0)' (2x|1/2,1/2,0)' (2y|1/2,1/2,0)' (2z|1/2,1/2,0)' (-1|0,0,0)' (mx|0,0,0)' (my|0,0,0)' (mz|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16r (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,-y+1/2,-z;mx,my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x+1/2,y+1/2,-z;mx,-my,mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x,y,-z;mx,my,-mz) 8q (x,y,1/2;mx,my,0) (x,-y,-1/2;mx,-my,0) (-x,y,-1/2;-mx,my,0) (-x,-y,1/2;-mx,-my,0) (-x+1/2,-y+1/2,-1/2;mx,my,0) (-x+1/2,y+1/2,1/2;mx,-my,0) (x+1/2,-y+1/2,1/2;-mx,my,0) (x+1/2,y+1/2,-1/2;-mx,-my,0) 8p (x,y,0;mx,my,0) (x,-y,0;mx,-my,0) (-x,y,0;-mx,my,0) (-x,-y,0;-mx,-my,0) (-x+1/2,-y+1/2,0;mx,my,0) (-x+1/2,y+1/2,0;mx,-my,0) (x+1/2,-y+1/2,0;-mx,my,0) (x+1/2,y+1/2,0;-mx,-my,0) 8o (x,0,z;mx,0,mz) (x,0,-z;mx,0,-mz) (-x,0,-z;-mx,0,-mz) (-x,0,z;-mx,0,mz) (-x+1/2,1/2,-z;mx,0,mz) (-x+1/2,1/2,z;mx,0,-mz) (x+1/2,1/2,z;-mx,0,-mz) (x+1/2,1/2,-z;-mx,0,mz) 8n (0,y,z;0,my,mz) (0,-y,-z;0,-my,-mz) (0,y,-z;0,my,-mz) (0,-y,z;0,-my,mz) (1/2,-y+1/2,-z;0,my,mz) (1/2,y+1/2,z;0,-my,-mz) (1/2,-y+1/2,z;0,my,-mz) (1/2,y+1/2,-z;0,-my,mz) 8m (1/4,1/4,z;mx,my,0) (1/4,-1/4,-z;mx,-my,0) (-1/4,1/4,-z;-mx,my,0) (-1/4,-1/4,z;-mx,-my,0) (1/4,1/4,-z;mx,my,0) (1/4,3/4,z;mx,-my,0) (3/4,1/4,z;-mx,my,0) (3/4,3/4,-z;-mx,-my,0) 4l (0,1/2,z;0,0,mz) (0,-1/2,-z;0,0,-mz) (1/2,0,-z;0,0,mz) (1/2,1,z;0,0,-mz) 4k (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) (1/2,1/2,-z;0,0,mz) (1/2,1/2,z;0,0,-mz) 4j (0,y,1/2;0,my,0) (0,-y,-1/2;0,-my,0) (1/2,-y+1/2,-1/2;0,my,0) (1/2,y+1/2,1/2;0,-my,0) 4i (0,y,0;0,my,0) (0,-y,0;0,-my,0) (1/2,-y+1/2,0;0,my,0) (1/2,y+1/2,0;0,-my,0) 4h (x,0,1/2;mx,0,0) (-x,0,-1/2;-mx,0,0) (-x+1/2,1/2,-1/2;mx,0,0) (x+1/2,1/2,1/2;-mx,0,0) 4g (x,0,0;mx,0,0) (-x,0,0;-mx,0,0) (-x+1/2,1/2,0;mx,0,0) (x+1/2,1/2,0;-mx,0,0) 4f (1/4,1/4,1/2;mx,my,0) (1/4,-1/4,-1/2;mx,-my,0) (-1/4,1/4,-1/2;-mx,my,0) (-1/4,-1/4,1/2;-mx,-my,0) 4e (1/4,1/4,0;mx,my,0) (1/4,-1/4,0;mx,-my,0) (-1/4,1/4,0;-mx,my,0) (-1/4,-1/4,0;-mx,-my,0) 2d (0,0,1/2;0,0,0) (1/2,1/2,-1/2;0,0,0) 2c (1/2,0,1/2;0,0,0) (0,1/2,-1/2;0,0,0) 2b (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,0;0,0,0) ---------- UNI: 50.288 Pban.1'_I[Ibam] BNS: 50.288 P_Iban OG: 72.13.642 I_Pb'a'm' OG-BNS transformation: (-1/4,-1/4,1/4;a,b,c) Operators (BNS): (1|0,0,0) (2x|0,1/2,0) (2y|1/2,0,0) (2z|1/2,1/2,0) (-1|0,0,0) (mx|0,1/2,0) (my|1/2,0,0) (mz|1/2,1/2,0) (1|1/2,1/2,1/2)' (2x|1/2,0,1/2)' (2y|0,1/2,1/2)' (2z|0,0,1/2)' (-1|1/2,1/2,1/2)' (mx|1/2,0,1/2)' (my|0,1/2,1/2)' (mz|0,0,1/2)' Wyckoff positions (BNS): 16k (x,y,z;mx,my,mz) (x,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y,-z;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y+1/2,z;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x+1/2,-y,-z+1/2;-mx,my,mz) (-x,y+1/2,-z+1/2;mx,-my,mz) (-x,-y,z+1/2;mx,my,-mz) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x,-y+1/2,z+1/2;mx,-my,mz) (x,y,-z+1/2;mx,my,-mz) 8j (x,y,3/4;mx,my,0) (x,-y+1/2,1/4;mx,-my,0) (-x+1/2,y,1/4;-mx,my,0) (-x+1/2,-y+1/2,3/4;-mx,-my,0) (-x,-y,1/4;mx,my,0) (-x,y+1/2,3/4;mx,-my,0) (x+1/2,-y,3/4;-mx,my,0) (x+1/2,y+1/2,1/4;-mx,-my,0) 8i (1/4,3/4,z;0,0,mz) (1/4,3/4,-z;0,0,-mz) (3/4,1/4,-z;0,0,mz) (3/4,1/4,z;0,0,-mz) (3/4,1/4,z+1/2;0,0,-mz) (3/4,1/4,-z+1/2;0,0,mz) (1/4,3/4,-z+1/2;0,0,-mz) (1/4,3/4,z+1/2;0,0,mz) 8h (1/4,1/4,z;0,0,mz) (1/4,1/4,-z;0,0,-mz) (3/4,3/4,-z;0,0,mz) (3/4,3/4,z;0,0,-mz) (3/4,3/4,z+1/2;0,0,-mz) (3/4,3/4,-z+1/2;0,0,mz) (1/4,1/4,-z+1/2;0,0,-mz) (1/4,1/4,z+1/2;0,0,mz) 8g (1/4,y,0;0,my,0) (1/4,-y+1/2,0;0,-my,0) (3/4,-y,0;0,my,0) (3/4,y+1/2,0;0,-my,0) (3/4,y+1/2,1/2;0,-my,0) (3/4,-y,1/2;0,my,0) (1/4,-y+1/2,1/2;0,-my,0) (1/4,y,1/2;0,my,0) 8f (x,1/4,0;mx,0,0) (-x+1/2,1/4,0;-mx,0,0) (-x,3/4,0;mx,0,0) (x+1/2,3/4,0;-mx,0,0) (x+1/2,3/4,1/2;-mx,0,0) (-x,3/4,1/2;mx,0,0) (-x+1/2,1/4,1/2;-mx,0,0) (x,1/4,1/2;mx,0,0) 8e (1/2,1/2,0;mx,my,mz) (1/2,0,0;mx,-my,-mz) (0,1/2,0;-mx,my,-mz) (0,0,0;-mx,-my,mz) (0,0,1/2;-mx,-my,-mz) (0,1/2,1/2;-mx,my,mz) (1/2,0,1/2;mx,-my,mz) (1/2,1/2,1/2;mx,my,-mz) 4d (3/4,1/4,3/4;0,0,0) (3/4,1/4,1/4;0,0,0) (1/4,3/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) 4c (1/4,1/4,3/4;0,0,0) (1/4,1/4,1/4;0,0,0) (3/4,3/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) 4b (3/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) (1/4,3/4,1/2;0,0,0) (3/4,1/4,1/2;0,0,0) 4a (1/4,1/4,0;0,0,0) (3/4,3/4,0;0,0,0) (3/4,3/4,1/2;0,0,0) (1/4,1/4,1/2;0,0,0) Operators (OG): (1|0,0,0) (2x|0,0,1/2) (2y|0,0,1/2) (2z|0,0,0) (-1|1/2,1/2,1/2) (mx|1/2,1/2,1) (my|1/2,1/2,1) (mz|1/2,1/2,1/2) (1|1/2,1/2,1/2)' (2x|1/2,1/2,1)' (2y|1/2,1/2,1)' (2z|1/2,1/2,1/2)' (-1|0,0,0)' (mx|0,0,1/2)' (my|0,0,1/2)' (mz|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16k (x,y,z;mx,my,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,-y+1/2,-z+1/2;mx,my,mz) (-x+1/2,y+1/2,z+1;mx,-my,-mz) (x+1/2,-y+1/2,z+1;-mx,my,-mz) (x+1/2,y+1/2,-z+1/2;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x+1/2,-y+1/2,-z+1;-mx,my,mz) (-x+1/2,y+1/2,-z+1;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (x,y,-z;mx,my,-mz) 8j (x,y,0;mx,my,0) (x,-y,1/2;mx,-my,0) (-x,y,1/2;-mx,my,0) (-x,-y,0;-mx,-my,0) (-x+1/2,-y+1/2,1/2;mx,my,0) (-x+1/2,y+1/2,1;mx,-my,0) (x+1/2,-y+1/2,1;-mx,my,0) (x+1/2,y+1/2,1/2;-mx,-my,0) 8i (0,1/2,z;0,0,mz) (0,-1/2,-z+1/2;0,0,-mz) (1/2,0,-z+1/2;0,0,mz) (1/2,1,z+1;0,0,-mz) (1/2,1,z+1/2;0,0,-mz) (1/2,0,-z+1;0,0,mz) (0,-1/2,-z;0,0,-mz) (0,1/2,z+1/2;0,0,mz) 8h (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (1/2,1/2,-z+1/2;0,0,mz) (1/2,1/2,z+1;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) (1/2,1/2,-z+1;0,0,mz) (0,0,-z;0,0,-mz) (0,0,z+1/2;0,0,mz) 8g (0,y,1/4;0,my,0) (0,-y,1/4;0,-my,0) (1/2,-y+1/2,1/4;0,my,0) (1/2,y+1/2,5/4;0,-my,0) (1/2,y+1/2,3/4;0,-my,0) (1/2,-y+1/2,3/4;0,my,0) (0,-y,-1/4;0,-my,0) (0,y,3/4;0,my,0) 8f (x,0,1/4;mx,0,0) (-x,0,1/4;-mx,0,0) (-x+1/2,1/2,1/4;mx,0,0) (x+1/2,1/2,5/4;-mx,0,0) (x+1/2,1/2,3/4;-mx,0,0) (-x+1/2,1/2,3/4;mx,0,0) (-x,0,-1/4;-mx,0,0) (x,0,3/4;mx,0,0) 8e (1/4,1/4,1/4;mx,my,mz) (1/4,-1/4,1/4;mx,-my,-mz) (-1/4,1/4,1/4;-mx,my,-mz) (-1/4,-1/4,1/4;-mx,-my,mz) (3/4,3/4,3/4;-mx,-my,-mz) (3/4,1/4,3/4;-mx,my,mz) (1/4,3/4,3/4;mx,-my,mz) (1/4,1/4,3/4;mx,my,-mz) 4d (1/2,0,0;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (0,1/2,1;0,0,0) 4c (0,0,0;0,0,0) (0,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) (1/2,1/2,1;0,0,0) 4b (1/2,0,1/4;0,0,0) (0,1/2,1/4;0,0,0) (1,1/2,3/4;0,0,0) (-1/2,0,-1/4;0,0,0) 4a (0,0,1/4;0,0,0) (1/2,1/2,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) (0,0,-1/4;0,0,0) ---------- UNI: 51.289 Pmma.1 BNS: 51.289 Pmma OG: 51.1.387 Pmma Operators: (1|0,0,0) (2x|1/2,0,0) (2y|0,0,0) (2z|1/2,0,0) (-1|0,0,0) (mx|1/2,0,0) (my|0,0,0) (mz|1/2,0,0) Wyckoff positions: 8l (x,y,z;mx,my,mz) (x+1/2,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x+1/2,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) 4k (1/4,y,z;mx,0,0) (3/4,-y,-z;mx,0,0) (3/4,y,-z;-mx,0,0) (1/4,-y,z;-mx,0,0) 4j (x,1/2,z;0,my,0) (x+1/2,1/2,-z;0,-my,0) (-x,1/2,-z;0,my,0) (-x+1/2,1/2,z;0,-my,0) 4i (x,0,z;0,my,0) (x+1/2,0,-z;0,-my,0) (-x,0,-z;0,my,0) (-x+1/2,0,z;0,-my,0) 4h (0,y,1/2;0,my,0) (1/2,-y,1/2;0,-my,0) (0,-y,1/2;0,my,0) (1/2,y,1/2;0,-my,0) 4g (0,y,0;0,my,0) (1/2,-y,0;0,-my,0) (0,-y,0;0,my,0) (1/2,y,0;0,-my,0) 2f (1/4,1/2,z;0,0,0) (3/4,1/2,-z;0,0,0) 2e (1/4,0,z;0,0,0) (3/4,0,-z;0,0,0) 2d (0,1/2,1/2;0,my,0) (1/2,1/2,1/2;0,-my,0) 2c (0,0,1/2;0,my,0) (1/2,0,1/2;0,-my,0) 2b (0,1/2,0;0,my,0) (1/2,1/2,0;0,-my,0) 2a (0,0,0;0,my,0) (1/2,0,0;0,-my,0) ---------- UNI: 51.290 Pmma.1' BNS: 51.290 Pmma1' OG: 51.2.388 Pmma1' Operators: (1|0,0,0) (2x|1/2,0,0) (2y|0,0,0) (2z|1/2,0,0) (-1|0,0,0) (mx|1/2,0,0) (my|0,0,0) (mz|1/2,0,0) (1|0,0,0)' (2x|1/2,0,0)' (2y|0,0,0)' (2z|1/2,0,0)' (-1|0,0,0)' (mx|1/2,0,0)' (my|0,0,0)' (mz|1/2,0,0)' Wyckoff positions: 8l (x,y,z;0,0,0) (x+1/2,-y,-z;0,0,0) (-x,y,-z;0,0,0) (-x+1/2,-y,z;0,0,0) (-x,-y,-z;0,0,0) (-x+1/2,y,z;0,0,0) (x,-y,z;0,0,0) (x+1/2,y,-z;0,0,0) 4k (1/4,y,z;0,0,0) (3/4,-y,-z;0,0,0) (3/4,y,-z;0,0,0) (1/4,-y,z;0,0,0) 4j (x,1/2,z;0,0,0) (x+1/2,1/2,-z;0,0,0) (-x,1/2,-z;0,0,0) (-x+1/2,1/2,z;0,0,0) 4i (x,0,z;0,0,0) (x+1/2,0,-z;0,0,0) (-x,0,-z;0,0,0) (-x+1/2,0,z;0,0,0) 4h (0,y,1/2;0,0,0) (1/2,-y,1/2;0,0,0) (0,-y,1/2;0,0,0) (1/2,y,1/2;0,0,0) 4g (0,y,0;0,0,0) (1/2,-y,0;0,0,0) (0,-y,0;0,0,0) (1/2,y,0;0,0,0) 2f (1/4,1/2,z;0,0,0) (3/4,1/2,-z;0,0,0) 2e (1/4,0,z;0,0,0) (3/4,0,-z;0,0,0) 2d (0,1/2,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 2c (0,0,1/2;0,0,0) (1/2,0,1/2;0,0,0) 2b (0,1/2,0;0,0,0) (1/2,1/2,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,0,0;0,0,0) ---------- UNI: 51.291 Pm'ma BNS: 51.291 Pm'ma OG: 51.3.389 Pm'ma Operators: (1|0,0,0) (2x|1/2,0,0) (2y|0,0,0)' (2z|1/2,0,0)' (-1|0,0,0)' (mx|1/2,0,0)' (my|0,0,0) (mz|1/2,0,0) Wyckoff positions: 8l (x,y,z;mx,my,mz) (x+1/2,-y,-z;mx,-my,-mz) (-x,y,-z;mx,-my,mz) (-x+1/2,-y,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,y,z;-mx,my,mz) (x,-y,z;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) 4k (1/4,y,z;0,my,mz) (3/4,-y,-z;0,-my,-mz) (3/4,y,-z;0,-my,mz) (1/4,-y,z;0,my,-mz) 4j (x,1/2,z;0,my,0) (x+1/2,1/2,-z;0,-my,0) (-x,1/2,-z;0,-my,0) (-x+1/2,1/2,z;0,my,0) 4i (x,0,z;0,my,0) (x+1/2,0,-z;0,-my,0) (-x,0,-z;0,-my,0) (-x+1/2,0,z;0,my,0) 4h (0,y,1/2;mx,0,mz) (1/2,-y,1/2;mx,0,-mz) (0,-y,1/2;-mx,0,-mz) (1/2,y,1/2;-mx,0,mz) 4g (0,y,0;mx,0,mz) (1/2,-y,0;mx,0,-mz) (0,-y,0;-mx,0,-mz) (1/2,y,0;-mx,0,mz) 2f (1/4,1/2,z;0,my,0) (3/4,1/2,-z;0,-my,0) 2e (1/4,0,z;0,my,0) (3/4,0,-z;0,-my,0) 2d (0,1/2,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 2c (0,0,1/2;0,0,0) (1/2,0,1/2;0,0,0) 2b (0,1/2,0;0,0,0) (1/2,1/2,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,0,0;0,0,0) ---------- UNI: 51.292 Pmm'a BNS: 51.292 Pmm'a OG: 51.4.390 Pmm'a Operators: (1|0,0,0) (2x|1/2,0,0)' (2y|0,0,0) (2z|1/2,0,0)' (-1|0,0,0)' (mx|1/2,0,0) (my|0,0,0)' (mz|1/2,0,0) Wyckoff positions: 8l (x,y,z;mx,my,mz) (x+1/2,-y,-z;-mx,my,mz) (-x,y,-z;-mx,my,-mz) (-x+1/2,-y,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,y,z;mx,-my,-mz) (x,-y,z;mx,-my,mz) (x+1/2,y,-z;-mx,-my,mz) 4k (1/4,y,z;mx,0,0) (3/4,-y,-z;-mx,0,0) (3/4,y,-z;-mx,0,0) (1/4,-y,z;mx,0,0) 4j (x,1/2,z;mx,0,mz) (x+1/2,1/2,-z;-mx,0,mz) (-x,1/2,-z;-mx,0,-mz) (-x+1/2,1/2,z;mx,0,-mz) 4i (x,0,z;mx,0,mz) (x+1/2,0,-z;-mx,0,mz) (-x,0,-z;-mx,0,-mz) (-x+1/2,0,z;mx,0,-mz) 4h (0,y,1/2;0,my,0) (1/2,-y,1/2;0,my,0) (0,-y,1/2;0,-my,0) (1/2,y,1/2;0,-my,0) 4g (0,y,0;0,my,0) (1/2,-y,0;0,my,0) (0,-y,0;0,-my,0) (1/2,y,0;0,-my,0) 2f (1/4,1/2,z;mx,0,0) (3/4,1/2,-z;-mx,0,0) 2e (1/4,0,z;mx,0,0) (3/4,0,-z;-mx,0,0) 2d (0,1/2,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 2c (0,0,1/2;0,0,0) (1/2,0,1/2;0,0,0) 2b (0,1/2,0;0,0,0) (1/2,1/2,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,0,0;0,0,0) ---------- UNI: 51.293 Pmma' BNS: 51.293 Pmma' OG: 51.5.391 Pmma' Operators: (1|0,0,0) (2x|1/2,0,0)' (2y|0,0,0)' (2z|1/2,0,0) (-1|0,0,0)' (mx|1/2,0,0) (my|0,0,0) (mz|1/2,0,0)' Wyckoff positions: 8l (x,y,z;mx,my,mz) (x+1/2,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x+1/2,-y,z;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x+1/2,y,-z;mx,my,-mz) 4k (1/4,y,z;mx,0,0) (3/4,-y,-z;-mx,0,0) (3/4,y,-z;mx,0,0) (1/4,-y,z;-mx,0,0) 4j (x,1/2,z;0,my,0) (x+1/2,1/2,-z;0,my,0) (-x,1/2,-z;0,-my,0) (-x+1/2,1/2,z;0,-my,0) 4i (x,0,z;0,my,0) (x+1/2,0,-z;0,my,0) (-x,0,-z;0,-my,0) (-x+1/2,0,z;0,-my,0) 4h (0,y,1/2;mx,0,mz) (1/2,-y,1/2;-mx,0,mz) (0,-y,1/2;-mx,0,-mz) (1/2,y,1/2;mx,0,-mz) 4g (0,y,0;mx,0,mz) (1/2,-y,0;-mx,0,mz) (0,-y,0;-mx,0,-mz) (1/2,y,0;mx,0,-mz) 2f (1/4,1/2,z;0,0,0) (3/4,1/2,-z;0,0,0) 2e (1/4,0,z;0,0,0) (3/4,0,-z;0,0,0) 2d (0,1/2,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 2c (0,0,1/2;0,0,0) (1/2,0,1/2;0,0,0) 2b (0,1/2,0;0,0,0) (1/2,1/2,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,0,0;0,0,0) ---------- UNI: 51.294 Pm'm'a BNS: 51.294 Pm'm'a OG: 51.6.392 Pm'm'a Operators: (1|0,0,0) (2x|1/2,0,0)' (2y|0,0,0)' (2z|1/2,0,0) (-1|0,0,0) (mx|1/2,0,0)' (my|0,0,0)' (mz|1/2,0,0) Wyckoff positions: 8l (x,y,z;mx,my,mz) (x+1/2,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x+1/2,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x+1/2,y,-z;-mx,-my,mz) 4k (1/4,y,z;0,my,mz) (3/4,-y,-z;0,my,mz) (3/4,y,-z;0,-my,mz) (1/4,-y,z;0,-my,mz) 4j (x,1/2,z;mx,0,mz) (x+1/2,1/2,-z;-mx,0,mz) (-x,1/2,-z;mx,0,mz) (-x+1/2,1/2,z;-mx,0,mz) 4i (x,0,z;mx,0,mz) (x+1/2,0,-z;-mx,0,mz) (-x,0,-z;mx,0,mz) (-x+1/2,0,z;-mx,0,mz) 4h (0,y,1/2;mx,0,mz) (1/2,-y,1/2;-mx,0,mz) (0,-y,1/2;mx,0,mz) (1/2,y,1/2;-mx,0,mz) 4g (0,y,0;mx,0,mz) (1/2,-y,0;-mx,0,mz) (0,-y,0;mx,0,mz) (1/2,y,0;-mx,0,mz) 2f (1/4,1/2,z;0,0,mz) (3/4,1/2,-z;0,0,mz) 2e (1/4,0,z;0,0,mz) (3/4,0,-z;0,0,mz) 2d (0,1/2,1/2;mx,0,mz) (1/2,1/2,1/2;-mx,0,mz) 2c (0,0,1/2;mx,0,mz) (1/2,0,1/2;-mx,0,mz) 2b (0,1/2,0;mx,0,mz) (1/2,1/2,0;-mx,0,mz) 2a (0,0,0;mx,0,mz) (1/2,0,0;-mx,0,mz) ---------- UNI: 51.295 Pmm'a' BNS: 51.295 Pmm'a' OG: 51.7.393 Pmm'a' Operators: (1|0,0,0) (2x|1/2,0,0) (2y|0,0,0)' (2z|1/2,0,0)' (-1|0,0,0) (mx|1/2,0,0) (my|0,0,0)' (mz|1/2,0,0)' Wyckoff positions: 8l (x,y,z;mx,my,mz) (x+1/2,-y,-z;mx,-my,-mz) (-x,y,-z;mx,-my,mz) (-x+1/2,-y,z;mx,my,-mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y,z;mx,-my,-mz) (x,-y,z;mx,-my,mz) (x+1/2,y,-z;mx,my,-mz) 4k (1/4,y,z;mx,0,0) (3/4,-y,-z;mx,0,0) (3/4,y,-z;mx,0,0) (1/4,-y,z;mx,0,0) 4j (x,1/2,z;mx,0,mz) (x+1/2,1/2,-z;mx,0,-mz) (-x,1/2,-z;mx,0,mz) (-x+1/2,1/2,z;mx,0,-mz) 4i (x,0,z;mx,0,mz) (x+1/2,0,-z;mx,0,-mz) (-x,0,-z;mx,0,mz) (-x+1/2,0,z;mx,0,-mz) 4h (0,y,1/2;mx,0,mz) (1/2,-y,1/2;mx,0,-mz) (0,-y,1/2;mx,0,mz) (1/2,y,1/2;mx,0,-mz) 4g (0,y,0;mx,0,mz) (1/2,-y,0;mx,0,-mz) (0,-y,0;mx,0,mz) (1/2,y,0;mx,0,-mz) 2f (1/4,1/2,z;mx,0,0) (3/4,1/2,-z;mx,0,0) 2e (1/4,0,z;mx,0,0) (3/4,0,-z;mx,0,0) 2d (0,1/2,1/2;mx,0,mz) (1/2,1/2,1/2;mx,0,-mz) 2c (0,0,1/2;mx,0,mz) (1/2,0,1/2;mx,0,-mz) 2b (0,1/2,0;mx,0,mz) (1/2,1/2,0;mx,0,-mz) 2a (0,0,0;mx,0,mz) (1/2,0,0;mx,0,-mz) ---------- UNI: 51.296 Pm'ma' BNS: 51.296 Pm'ma' OG: 51.8.394 Pm'ma' Operators: (1|0,0,0) (2x|1/2,0,0)' (2y|0,0,0) (2z|1/2,0,0)' (-1|0,0,0) (mx|1/2,0,0)' (my|0,0,0) (mz|1/2,0,0)' Wyckoff positions: 8l (x,y,z;mx,my,mz) (x+1/2,-y,-z;-mx,my,mz) (-x,y,-z;-mx,my,-mz) (-x+1/2,-y,z;mx,my,-mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y,z;-mx,my,mz) (x,-y,z;-mx,my,-mz) (x+1/2,y,-z;mx,my,-mz) 4k (1/4,y,z;0,my,mz) (3/4,-y,-z;0,my,mz) (3/4,y,-z;0,my,-mz) (1/4,-y,z;0,my,-mz) 4j (x,1/2,z;0,my,0) (x+1/2,1/2,-z;0,my,0) (-x,1/2,-z;0,my,0) (-x+1/2,1/2,z;0,my,0) 4i (x,0,z;0,my,0) (x+1/2,0,-z;0,my,0) (-x,0,-z;0,my,0) (-x+1/2,0,z;0,my,0) 4h (0,y,1/2;0,my,0) (1/2,-y,1/2;0,my,0) (0,-y,1/2;0,my,0) (1/2,y,1/2;0,my,0) 4g (0,y,0;0,my,0) (1/2,-y,0;0,my,0) (0,-y,0;0,my,0) (1/2,y,0;0,my,0) 2f (1/4,1/2,z;0,my,0) (3/4,1/2,-z;0,my,0) 2e (1/4,0,z;0,my,0) (3/4,0,-z;0,my,0) 2d (0,1/2,1/2;0,my,0) (1/2,1/2,1/2;0,my,0) 2c (0,0,1/2;0,my,0) (1/2,0,1/2;0,my,0) 2b (0,1/2,0;0,my,0) (1/2,1/2,0;0,my,0) 2a (0,0,0;0,my,0) (1/2,0,0;0,my,0) ---------- UNI: 51.297 Pm'm'a' BNS: 51.297 Pm'm'a' OG: 51.9.395 Pm'm'a' Operators: (1|0,0,0) (2x|1/2,0,0) (2y|0,0,0) (2z|1/2,0,0) (-1|0,0,0)' (mx|1/2,0,0)' (my|0,0,0)' (mz|1/2,0,0)' Wyckoff positions: 8l (x,y,z;mx,my,mz) (x+1/2,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x+1/2,-y,z;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x+1/2,y,-z;mx,my,-mz) 4k (1/4,y,z;0,my,mz) (3/4,-y,-z;0,-my,-mz) (3/4,y,-z;0,my,-mz) (1/4,-y,z;0,-my,mz) 4j (x,1/2,z;mx,0,mz) (x+1/2,1/2,-z;mx,0,-mz) (-x,1/2,-z;-mx,0,-mz) (-x+1/2,1/2,z;-mx,0,mz) 4i (x,0,z;mx,0,mz) (x+1/2,0,-z;mx,0,-mz) (-x,0,-z;-mx,0,-mz) (-x+1/2,0,z;-mx,0,mz) 4h (0,y,1/2;0,my,0) (1/2,-y,1/2;0,-my,0) (0,-y,1/2;0,-my,0) (1/2,y,1/2;0,my,0) 4g (0,y,0;0,my,0) (1/2,-y,0;0,-my,0) (0,-y,0;0,-my,0) (1/2,y,0;0,my,0) 2f (1/4,1/2,z;0,0,mz) (3/4,1/2,-z;0,0,-mz) 2e (1/4,0,z;0,0,mz) (3/4,0,-z;0,0,-mz) 2d (0,1/2,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 2c (0,0,1/2;0,0,0) (1/2,0,1/2;0,0,0) 2b (0,1/2,0;0,0,0) (1/2,1/2,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,0,0;0,0,0) ---------- UNI: 51.298 Pmma.1'_a[Pmmm] BNS: 51.298 P_amma OG: 47.9.355 P_2ammm' OG-BNS transformation: (1/2,0,0;2a,b,c) Operators (BNS): (1|0,0,0) (2x|1/2,0,0) (2y|0,0,0) (2z|1/2,0,0) (-1|0,0,0) (mx|1/2,0,0) (my|0,0,0) (mz|1/2,0,0) (1|1/2,0,0)' (2x|0,0,0)' (2y|1/2,0,0)' (2z|0,0,0)' (-1|1/2,0,0)' (mx|0,0,0)' (my|1/2,0,0)' (mz|0,0,0)' Wyckoff positions (BNS): 16alpha (x,y,z;mx,my,mz) (x+1/2,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x+1/2,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) (x+1/2,y,z;-mx,-my,-mz) (x,-y,-z;-mx,my,mz) (-x+1/2,y,-z;mx,-my,mz) (-x,-y,z;mx,my,-mz) (-x+1/2,-y,-z;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) (x,y,-z;mx,my,-mz) 8z (x,y,1/2;mx,my,0) (x+1/2,-y,1/2;mx,-my,0) (-x,y,1/2;-mx,my,0) (-x+1/2,-y,1/2;-mx,-my,0) (-x,-y,1/2;mx,my,0) (-x+1/2,y,1/2;mx,-my,0) (x,-y,1/2;-mx,my,0) (x+1/2,y,1/2;-mx,-my,0) 8y (x,y,0;mx,my,0) (x+1/2,-y,0;mx,-my,0) (-x,y,0;-mx,my,0) (-x+1/2,-y,0;-mx,-my,0) (-x,-y,0;mx,my,0) (-x+1/2,y,0;mx,-my,0) (x,-y,0;-mx,my,0) (x+1/2,y,0;-mx,-my,0) 8x (x,1/2,z;0,my,0) (x+1/2,1/2,-z;0,-my,0) (-x,1/2,-z;0,my,0) (-x+1/2,1/2,z;0,-my,0) (x+1/2,1/2,z;0,-my,0) (x,1/2,-z;0,my,0) (-x+1/2,1/2,-z;0,-my,0) (-x,1/2,z;0,my,0) 8w (x,0,z;0,my,0) (x+1/2,0,-z;0,-my,0) (-x,0,-z;0,my,0) (-x+1/2,0,z;0,-my,0) (x+1/2,0,z;0,-my,0) (x,0,-z;0,my,0) (-x+1/2,0,-z;0,-my,0) (-x,0,z;0,my,0) 8v (0,y,z;0,my,mz) (1/2,-y,-z;0,-my,-mz) (0,y,-z;0,my,-mz) (1/2,-y,z;0,-my,mz) (0,-y,-z;0,my,mz) (1/2,y,z;0,-my,-mz) (0,-y,z;0,my,-mz) (1/2,y,-z;0,-my,mz) 8u (3/4,y,z;mx,0,0) (1/4,-y,-z;mx,0,0) (1/4,y,-z;-mx,0,0) (3/4,-y,z;-mx,0,0) (1/4,y,z;-mx,0,0) (3/4,-y,-z;-mx,0,0) (3/4,y,-z;mx,0,0) (1/4,-y,z;mx,0,0) 4t (0,1/2,z;0,my,0) (1/2,1/2,-z;0,-my,0) (0,1/2,-z;0,my,0) (1/2,1/2,z;0,-my,0) 4s (0,0,z;0,my,0) (1/2,0,-z;0,-my,0) (0,0,-z;0,my,0) (1/2,0,z;0,-my,0) 4r (3/4,1/2,z;0,0,0) (1/4,1/2,-z;0,0,0) (1/4,1/2,z;0,0,0) (3/4,1/2,-z;0,0,0) 4q (3/4,0,z;0,0,0) (1/4,0,-z;0,0,0) (1/4,0,z;0,0,0) (3/4,0,-z;0,0,0) 4p (0,y,1/2;0,my,0) (1/2,-y,1/2;0,-my,0) (0,-y,1/2;0,my,0) (1/2,y,1/2;0,-my,0) 4o (0,y,0;0,my,0) (1/2,-y,0;0,-my,0) (0,-y,0;0,my,0) (1/2,y,0;0,-my,0) 4n (3/4,y,1/2;mx,0,0) (1/4,-y,1/2;mx,0,0) (1/4,y,1/2;-mx,0,0) (3/4,-y,1/2;-mx,0,0) 4m (3/4,y,0;mx,0,0) (1/4,-y,0;mx,0,0) (1/4,y,0;-mx,0,0) (3/4,-y,0;-mx,0,0) 4l (x,1/2,1/2;0,my,0) (x+1/2,1/2,1/2;0,-my,0) (-x,1/2,1/2;0,my,0) (-x+1/2,1/2,1/2;0,-my,0) 4k (x,1/2,0;0,my,0) (x+1/2,1/2,0;0,-my,0) (-x,1/2,0;0,my,0) (-x+1/2,1/2,0;0,-my,0) 4j (x,0,1/2;0,my,0) (x+1/2,0,1/2;0,-my,0) (-x,0,1/2;0,my,0) (-x+1/2,0,1/2;0,-my,0) 4i (x,0,0;0,my,0) (x+1/2,0,0;0,-my,0) (-x,0,0;0,my,0) (-x+1/2,0,0;0,-my,0) 2h (0,1/2,1/2;0,my,0) (1/2,1/2,1/2;0,-my,0) 2g (3/4,1/2,1/2;0,0,0) (1/4,1/2,1/2;0,0,0) 2f (0,1/2,0;0,my,0) (1/2,1/2,0;0,-my,0) 2e (3/4,1/2,0;0,0,0) (1/4,1/2,0;0,0,0) 2d (0,0,1/2;0,my,0) (1/2,0,1/2;0,-my,0) 2c (3/4,0,1/2;0,0,0) (1/4,0,1/2;0,0,0) 2b (0,0,0;0,my,0) (1/2,0,0;0,-my,0) 2a (3/4,0,0;0,0,0) (1/4,0,0;0,0,0) Operators (OG): (1|0,0,0) (2x|1,0,0) (2y|1,0,0) (2z|0,0,0) (-1|1,0,0) (mx|0,0,0) (my|0,0,0) (mz|1,0,0) (1|1,0,0)' (2x|0,0,0)' (2y|0,0,0)' (2z|1,0,0)' (-1|0,0,0)' (mx|1,0,0)' (my|1,0,0)' (mz|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,1,0)+ (0,0,1)+ 16alpha (x,y,z;mx,my,mz) (x+1,-y,-z;mx,-my,-mz) (-x+1,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x+1,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x+1,y,-z;-mx,-my,mz) (x+1,y,z;-mx,-my,-mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x+1,-y,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x+1,y,z;-mx,my,mz) (x+1,-y,z;mx,-my,mz) (x,y,-z;mx,my,-mz) 8z (x,y,1/2;mx,my,0) (x+1,-y,-1/2;mx,-my,0) (-x+1,y,-1/2;-mx,my,0) (-x,-y,1/2;-mx,-my,0) (-x+1,-y,-1/2;mx,my,0) (-x,y,1/2;mx,-my,0) (x,-y,1/2;-mx,my,0) (x+1,y,-1/2;-mx,-my,0) 8y (x,y,0;mx,my,0) (x+1,-y,0;mx,-my,0) (-x+1,y,0;-mx,my,0) (-x,-y,0;-mx,-my,0) (-x+1,-y,0;mx,my,0) (-x,y,0;mx,-my,0) (x,-y,0;-mx,my,0) (x+1,y,0;-mx,-my,0) 8x (x,1/2,z;0,my,0) (x+1,-1/2,-z;0,-my,0) (-x+1,1/2,-z;0,my,0) (-x,-1/2,z;0,-my,0) (x+1,1/2,z;0,-my,0) (x,-1/2,-z;0,my,0) (-x,1/2,-z;0,-my,0) (-x+1,-1/2,z;0,my,0) 8w (x,0,z;0,my,0) (x+1,0,-z;0,-my,0) (-x+1,0,-z;0,my,0) (-x,0,z;0,-my,0) (x+1,0,z;0,-my,0) (x,0,-z;0,my,0) (-x,0,-z;0,-my,0) (-x+1,0,z;0,my,0) 8v (1/2,y,z;0,my,mz) (3/2,-y,-z;0,-my,-mz) (1/2,y,-z;0,my,-mz) (-1/2,-y,z;0,-my,mz) (1/2,-y,-z;0,my,mz) (-1/2,y,z;0,-my,-mz) (1/2,-y,z;0,my,-mz) (3/2,y,-z;0,-my,mz) 8u (0,y,z;mx,0,0) (1,-y,-z;mx,0,0) (1,y,-z;-mx,0,0) (0,-y,z;-mx,0,0) (1,y,z;-mx,0,0) (0,-y,-z;-mx,0,0) (0,y,-z;mx,0,0) (1,-y,z;mx,0,0) 4t (1/2,1/2,z;0,my,0) (3/2,-1/2,-z;0,-my,0) (1/2,1/2,-z;0,my,0) (-1/2,-1/2,z;0,-my,0) 4s (1/2,0,z;0,my,0) (3/2,0,-z;0,-my,0) (1/2,0,-z;0,my,0) (-1/2,0,z;0,-my,0) 4r (0,1/2,z;0,0,0) (1,-1/2,-z;0,0,0) (1,1/2,z;0,0,0) (0,-1/2,-z;0,0,0) 4q (0,0,z;0,0,0) (1,0,-z;0,0,0) (1,0,z;0,0,0) (0,0,-z;0,0,0) 4p (1/2,y,1/2;0,my,0) (3/2,-y,-1/2;0,-my,0) (1/2,-y,-1/2;0,my,0) (-1/2,y,1/2;0,-my,0) 4o (1/2,y,0;0,my,0) (3/2,-y,0;0,-my,0) (1/2,-y,0;0,my,0) (-1/2,y,0;0,-my,0) 4n (0,y,1/2;mx,0,0) (1,-y,-1/2;mx,0,0) (1,y,-1/2;-mx,0,0) (0,-y,1/2;-mx,0,0) 4m (0,y,0;mx,0,0) (1,-y,0;mx,0,0) (1,y,0;-mx,0,0) (0,-y,0;-mx,0,0) 4l (x,1/2,1/2;0,my,0) (x+1,-1/2,-1/2;0,-my,0) (-x+1,1/2,-1/2;0,my,0) (-x,-1/2,1/2;0,-my,0) 4k (x,1/2,0;0,my,0) (x+1,-1/2,0;0,-my,0) (-x+1,1/2,0;0,my,0) (-x,-1/2,0;0,-my,0) 4j (x,0,1/2;0,my,0) (x+1,0,-1/2;0,-my,0) (-x+1,0,-1/2;0,my,0) (-x,0,1/2;0,-my,0) 4i (x,0,0;0,my,0) (x+1,0,0;0,-my,0) (-x+1,0,0;0,my,0) (-x,0,0;0,-my,0) 2h (1/2,1/2,1/2;0,my,0) (3/2,-1/2,-1/2;0,-my,0) 2g (0,1/2,1/2;0,0,0) (1,-1/2,-1/2;0,0,0) 2f (1/2,1/2,0;0,my,0) (3/2,-1/2,0;0,-my,0) 2e (0,1/2,0;0,0,0) (1,-1/2,0;0,0,0) 2d (1/2,0,1/2;0,my,0) (3/2,0,-1/2;0,-my,0) 2c (0,0,1/2;0,0,0) (1,0,-1/2;0,0,0) 2b (1/2,0,0;0,my,0) (3/2,0,0;0,-my,0) 2a (0,0,0;0,0,0) (1,0,0;0,0,0) ---------- UNI: 51.299 Pmma.1'_b[Pmma] BNS: 51.299 P_bmma OG: 51.10.396 P_2bmma OG-BNS transformation: (0,0,0;a,2b,c) Operators (BNS): (1|0,0,0) (2x|1/2,0,0) (2y|0,0,0) (2z|1/2,0,0) (-1|0,0,0) (mx|1/2,0,0) (my|0,0,0) (mz|1/2,0,0) (1|0,1/2,0)' (2x|1/2,1/2,0)' (2y|0,1/2,0)' (2z|1/2,1/2,0)' (-1|0,1/2,0)' (mx|1/2,1/2,0)' (my|0,1/2,0)' (mz|1/2,1/2,0)' Wyckoff positions (BNS): 16l (x,y,z;mx,my,mz) (x+1/2,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x+1/2,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) (x,y+1/2,z;-mx,-my,-mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x,y+1/2,-z;mx,-my,mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x,-y+1/2,-z;-mx,-my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x,-y+1/2,z;mx,-my,mz) (x+1/2,y+1/2,-z;mx,my,-mz) 8k (1/4,y,z;mx,0,0) (3/4,-y,-z;mx,0,0) (3/4,y,-z;-mx,0,0) (1/4,-y,z;-mx,0,0) (1/4,y+1/2,z;-mx,0,0) (3/4,-y+1/2,-z;-mx,0,0) (3/4,y+1/2,-z;mx,0,0) (1/4,-y+1/2,z;mx,0,0) 8j (x,1/4,z;mx,0,mz) (x+1/2,3/4,-z;mx,0,-mz) (-x,1/4,-z;-mx,0,-mz) (-x+1/2,3/4,z;-mx,0,mz) (-x,3/4,-z;mx,0,mz) (-x+1/2,1/4,z;mx,0,-mz) (x,3/4,z;-mx,0,-mz) (x+1/2,1/4,-z;-mx,0,mz) 8i (x,0,z;0,my,0) (x+1/2,0,-z;0,-my,0) (-x,0,-z;0,my,0) (-x+1/2,0,z;0,-my,0) (x,1/2,z;0,-my,0) (x+1/2,1/2,-z;0,my,0) (-x,1/2,-z;0,-my,0) (-x+1/2,1/2,z;0,my,0) 8h (0,y,1/2;0,my,0) (1/2,-y,1/2;0,-my,0) (0,-y,1/2;0,my,0) (1/2,y,1/2;0,-my,0) (0,y+1/2,1/2;0,-my,0) (1/2,-y+1/2,1/2;0,my,0) (0,-y+1/2,1/2;0,-my,0) (1/2,y+1/2,1/2;0,my,0) 8g (0,y,0;0,my,0) (1/2,-y,0;0,-my,0) (0,-y,0;0,my,0) (1/2,y,0;0,-my,0) (0,y+1/2,0;0,-my,0) (1/2,-y+1/2,0;0,my,0) (0,-y+1/2,0;0,-my,0) (1/2,y+1/2,0;0,my,0) 4f (1/4,1/4,z;mx,0,0) (3/4,3/4,-z;mx,0,0) (3/4,1/4,-z;-mx,0,0) (1/4,3/4,z;-mx,0,0) 4e (1/4,0,z;0,0,0) (3/4,0,-z;0,0,0) (1/4,1/2,z;0,0,0) (3/4,1/2,-z;0,0,0) 4d (0,1/4,1/2;0,0,0) (1/2,3/4,1/2;0,0,0) (0,3/4,1/2;0,0,0) (1/2,1/4,1/2;0,0,0) 4c (0,0,1/2;0,my,0) (1/2,0,1/2;0,-my,0) (0,1/2,1/2;0,-my,0) (1/2,1/2,1/2;0,my,0) 4b (0,1/4,0;0,0,0) (1/2,3/4,0;0,0,0) (0,3/4,0;0,0,0) (1/2,1/4,0;0,0,0) 4a (0,0,0;0,my,0) (1/2,0,0;0,-my,0) (0,1/2,0;0,-my,0) (1/2,1/2,0;0,my,0) Operators (OG): (1|0,0,0) (2x|1/2,0,0) (2y|0,0,0) (2z|1/2,0,0) (-1|0,0,0) (mx|1/2,0,0) (my|0,0,0) (mz|1/2,0,0) (1|0,1,0)' (2x|1/2,1,0)' (2y|0,1,0)' (2z|1/2,1,0)' (-1|0,1,0)' (mx|1/2,1,0)' (my|0,1,0)' (mz|1/2,1,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,2,0)+ (0,0,1)+ 16l (x,y,z;mx,my,mz) (x+1/2,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x+1/2,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) (x,y+1,z;-mx,-my,-mz) (x+1/2,-y+1,-z;-mx,my,mz) (-x,y+1,-z;mx,-my,mz) (-x+1/2,-y+1,z;mx,my,-mz) (-x,-y+1,-z;-mx,-my,-mz) (-x+1/2,y+1,z;-mx,my,mz) (x,-y+1,z;mx,-my,mz) (x+1/2,y+1,-z;mx,my,-mz) 8k (1/4,y,z;mx,0,0) (3/4,-y,-z;mx,0,0) (-1/4,y,-z;-mx,0,0) (1/4,-y,z;-mx,0,0) (1/4,y+1,z;-mx,0,0) (3/4,-y+1,-z;-mx,0,0) (-1/4,y+1,-z;mx,0,0) (1/4,-y+1,z;mx,0,0) 8j (x,1/2,z;mx,0,mz) (x+1/2,-1/2,-z;mx,0,-mz) (-x,1/2,-z;-mx,0,-mz) (-x+1/2,-1/2,z;-mx,0,mz) (-x,-1/2,-z;mx,0,mz) (-x+1/2,1/2,z;mx,0,-mz) (x,-1/2,z;-mx,0,-mz) (x+1/2,1/2,-z;-mx,0,mz) 8i (x,0,z;0,my,0) (x+1/2,0,-z;0,-my,0) (-x,0,-z;0,my,0) (-x+1/2,0,z;0,-my,0) (x,1,z;0,-my,0) (x+1/2,1,-z;0,my,0) (-x,1,-z;0,-my,0) (-x+1/2,1,z;0,my,0) 8h (0,y,1/2;0,my,0) (1/2,-y,-1/2;0,-my,0) (0,-y,-1/2;0,my,0) (1/2,y,1/2;0,-my,0) (0,y+1,1/2;0,-my,0) (1/2,-y+1,-1/2;0,my,0) (0,-y+1,-1/2;0,-my,0) (1/2,y+1,1/2;0,my,0) 8g (0,y,0;0,my,0) (1/2,-y,0;0,-my,0) (0,-y,0;0,my,0) (1/2,y,0;0,-my,0) (0,y+1,0;0,-my,0) (1/2,-y+1,0;0,my,0) (0,-y+1,0;0,-my,0) (1/2,y+1,0;0,my,0) 4f (1/4,1/2,z;mx,0,0) (3/4,-1/2,-z;mx,0,0) (-1/4,1/2,-z;-mx,0,0) (1/4,-1/2,z;-mx,0,0) 4e (1/4,0,z;0,0,0) (3/4,0,-z;0,0,0) (1/4,1,z;0,0,0) (3/4,1,-z;0,0,0) 4d (0,1/2,1/2;0,0,0) (1/2,-1/2,-1/2;0,0,0) (0,-1/2,-1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 4c (0,0,1/2;0,my,0) (1/2,0,-1/2;0,-my,0) (0,1,1/2;0,-my,0) (1/2,1,-1/2;0,my,0) 4b (0,1/2,0;0,0,0) (1/2,-1/2,0;0,0,0) (0,-1/2,0;0,0,0) (1/2,1/2,0;0,0,0) 4a (0,0,0;0,my,0) (1/2,0,0;0,-my,0) (0,1,0;0,-my,0) (1/2,1,0;0,my,0) ---------- UNI: 51.300 Pmma.1'_c[Pmma] BNS: 51.300 P_cmma OG: 51.11.397 P_2cmma OG-BNS transformation: (0,0,0;a,b,2c) Operators (BNS): (1|0,0,0) (2x|1/2,0,0) (2y|0,0,0) (2z|1/2,0,0) (-1|0,0,0) (mx|1/2,0,0) (my|0,0,0) (mz|1/2,0,0) (1|0,0,1/2)' (2x|1/2,0,1/2)' (2y|0,0,1/2)' (2z|1/2,0,1/2)' (-1|0,0,1/2)' (mx|1/2,0,1/2)' (my|0,0,1/2)' (mz|1/2,0,1/2)' Wyckoff positions (BNS): 16l (x,y,z;mx,my,mz) (x+1/2,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x+1/2,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) (x,y,z+1/2;-mx,-my,-mz) (x+1/2,-y,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x,-y,-z+1/2;-mx,-my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (x+1/2,y,-z+1/2;mx,my,-mz) 8k (1/4,y,z;mx,0,0) (3/4,-y,-z;mx,0,0) (3/4,y,-z;-mx,0,0) (1/4,-y,z;-mx,0,0) (1/4,y,z+1/2;-mx,0,0) (3/4,-y,-z+1/2;-mx,0,0) (3/4,y,-z+1/2;mx,0,0) (1/4,-y,z+1/2;mx,0,0) 8j (x,1/2,z;0,my,0) (x+1/2,1/2,-z;0,-my,0) (-x,1/2,-z;0,my,0) (-x+1/2,1/2,z;0,-my,0) (x,1/2,z+1/2;0,-my,0) (x+1/2,1/2,-z+1/2;0,my,0) (-x,1/2,-z+1/2;0,-my,0) (-x+1/2,1/2,z+1/2;0,my,0) 8i (x,0,z;0,my,0) (x+1/2,0,-z;0,-my,0) (-x,0,-z;0,my,0) (-x+1/2,0,z;0,-my,0) (x,0,z+1/2;0,-my,0) (x+1/2,0,-z+1/2;0,my,0) (-x,0,-z+1/2;0,-my,0) (-x+1/2,0,z+1/2;0,my,0) 8h (0,y,1/4;mx,0,mz) (1/2,-y,3/4;mx,0,-mz) (0,y,3/4;-mx,0,-mz) (1/2,-y,1/4;-mx,0,mz) (0,-y,3/4;mx,0,mz) (1/2,y,1/4;mx,0,-mz) (0,-y,1/4;-mx,0,-mz) (1/2,y,3/4;-mx,0,mz) 8g (0,y,0;0,my,0) (1/2,-y,0;0,-my,0) (0,-y,0;0,my,0) (1/2,y,0;0,-my,0) (0,y,1/2;0,-my,0) (1/2,-y,1/2;0,my,0) (0,-y,1/2;0,-my,0) (1/2,y,1/2;0,my,0) 4f (1/4,1/2,z;0,0,0) (3/4,1/2,-z;0,0,0) (1/4,1/2,z+1/2;0,0,0) (3/4,1/2,-z+1/2;0,0,0) 4e (1/4,0,z;0,0,0) (3/4,0,-z;0,0,0) (1/4,0,z+1/2;0,0,0) (3/4,0,-z+1/2;0,0,0) 4d (0,1/2,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,1/2,1/4;0,0,0) 4c (0,0,1/4;0,0,0) (1/2,0,3/4;0,0,0) (0,0,3/4;0,0,0) (1/2,0,1/4;0,0,0) 4b (0,1/2,0;0,my,0) (1/2,1/2,0;0,-my,0) (0,1/2,1/2;0,-my,0) (1/2,1/2,1/2;0,my,0) 4a (0,0,0;0,my,0) (1/2,0,0;0,-my,0) (0,0,1/2;0,-my,0) (1/2,0,1/2;0,my,0) Operators (OG): (1|0,0,0) (2x|1/2,0,0) (2y|0,0,0) (2z|1/2,0,0) (-1|0,0,0) (mx|1/2,0,0) (my|0,0,0) (mz|1/2,0,0) (1|0,0,1)' (2x|1/2,0,1)' (2y|0,0,1)' (2z|1/2,0,1)' (-1|0,0,1)' (mx|1/2,0,1)' (my|0,0,1)' (mz|1/2,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 16l (x,y,z;mx,my,mz) (x+1/2,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x+1/2,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) (x,y,z+1;-mx,-my,-mz) (x+1/2,-y,-z+1;-mx,my,mz) (-x,y,-z+1;mx,-my,mz) (-x+1/2,-y,z+1;mx,my,-mz) (-x,-y,-z+1;-mx,-my,-mz) (-x+1/2,y,z+1;-mx,my,mz) (x,-y,z+1;mx,-my,mz) (x+1/2,y,-z+1;mx,my,-mz) 8k (1/4,y,z;mx,0,0) (3/4,-y,-z;mx,0,0) (-1/4,y,-z;-mx,0,0) (1/4,-y,z;-mx,0,0) (1/4,y,z+1;-mx,0,0) (3/4,-y,-z+1;-mx,0,0) (-1/4,y,-z+1;mx,0,0) (1/4,-y,z+1;mx,0,0) 8j (x,1/2,z;0,my,0) (x+1/2,-1/2,-z;0,-my,0) (-x,1/2,-z;0,my,0) (-x+1/2,-1/2,z;0,-my,0) (x,1/2,z+1;0,-my,0) (x+1/2,-1/2,-z+1;0,my,0) (-x,1/2,-z+1;0,-my,0) (-x+1/2,-1/2,z+1;0,my,0) 8i (x,0,z;0,my,0) (x+1/2,0,-z;0,-my,0) (-x,0,-z;0,my,0) (-x+1/2,0,z;0,-my,0) (x,0,z+1;0,-my,0) (x+1/2,0,-z+1;0,my,0) (-x,0,-z+1;0,-my,0) (-x+1/2,0,z+1;0,my,0) 8h (0,y,1/2;mx,0,mz) (1/2,-y,-1/2;mx,0,-mz) (0,y,-1/2;-mx,0,-mz) (1/2,-y,1/2;-mx,0,mz) (0,-y,-1/2;mx,0,mz) (1/2,y,1/2;mx,0,-mz) (0,-y,1/2;-mx,0,-mz) (1/2,y,-1/2;-mx,0,mz) 8g (0,y,0;0,my,0) (1/2,-y,0;0,-my,0) (0,-y,0;0,my,0) (1/2,y,0;0,-my,0) (0,y,1;0,-my,0) (1/2,-y,1;0,my,0) (0,-y,1;0,-my,0) (1/2,y,1;0,my,0) 4f (1/4,1/2,z;0,0,0) (3/4,-1/2,-z;0,0,0) (1/4,1/2,z+1;0,0,0) (3/4,-1/2,-z+1;0,0,0) 4e (1/4,0,z;0,0,0) (3/4,0,-z;0,0,0) (1/4,0,z+1;0,0,0) (3/4,0,-z+1;0,0,0) 4d (0,1/2,1/2;0,0,0) (1/2,-1/2,-1/2;0,0,0) (0,1/2,-1/2;0,0,0) (1/2,-1/2,1/2;0,0,0) 4c (0,0,1/2;0,0,0) (1/2,0,-1/2;0,0,0) (0,0,-1/2;0,0,0) (1/2,0,1/2;0,0,0) 4b (0,1/2,0;0,my,0) (1/2,-1/2,0;0,-my,0) (0,1/2,1;0,-my,0) (1/2,-1/2,1;0,my,0) 4a (0,0,0;0,my,0) (1/2,0,0;0,-my,0) (0,0,1;0,-my,0) (1/2,0,1;0,my,0) ---------- UNI: 51.301 Pmma.1'_A[Amma] BNS: 51.301 P_Amma OG: 63.10.520 C_Pmcm OG-BNS transformation: (0,0,0;c,a,b) Operators (BNS): (1|0,0,0) (2x|1/2,0,0) (2y|0,0,0) (2z|1/2,0,0) (-1|0,0,0) (mx|1/2,0,0) (my|0,0,0) (mz|1/2,0,0) (1|0,1/2,1/2)' (2x|1/2,1/2,1/2)' (2y|0,1/2,1/2)' (2z|1/2,1/2,1/2)' (-1|0,1/2,1/2)' (mx|1/2,1/2,1/2)' (my|0,1/2,1/2)' (mz|1/2,1/2,1/2)' Wyckoff positions (BNS): 16h (x,y,z;mx,my,mz) (x+1/2,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x+1/2,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x,-y+1/2,-z+1/2;-mx,-my,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x,-y+1/2,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) 8g (1/4,y,z;mx,0,0) (3/4,-y,-z;mx,0,0) (3/4,y,-z;-mx,0,0) (1/4,-y,z;-mx,0,0) (1/4,y+1/2,z+1/2;-mx,0,0) (3/4,-y+1/2,-z+1/2;-mx,0,0) (3/4,y+1/2,-z+1/2;mx,0,0) (1/4,-y+1/2,z+1/2;mx,0,0) 8f (x,0,z;0,my,0) (x+1/2,0,-z;0,-my,0) (-x,0,-z;0,my,0) (-x+1/2,0,z;0,-my,0) (x,1/2,z+1/2;0,-my,0) (x+1/2,1/2,-z+1/2;0,my,0) (-x,1/2,-z+1/2;0,-my,0) (-x+1/2,1/2,z+1/2;0,my,0) 8e (0,y,0;0,my,0) (1/2,-y,0;0,-my,0) (0,-y,0;0,my,0) (1/2,y,0;0,-my,0) (0,y+1/2,1/2;0,-my,0) (1/2,-y+1/2,1/2;0,my,0) (0,-y+1/2,1/2;0,-my,0) (1/2,y+1/2,1/2;0,my,0) 8d (0,1/4,1/4;0,0,0) (1/2,3/4,3/4;0,0,0) (0,1/4,3/4;0,0,0) (1/2,3/4,1/4;0,0,0) (0,3/4,3/4;0,0,0) (1/2,1/4,1/4;0,0,0) (0,3/4,1/4;0,0,0) (1/2,1/4,3/4;0,0,0) 4c (1/4,0,z;0,0,0) (3/4,0,-z;0,0,0) (1/4,1/2,z+1/2;0,0,0) (3/4,1/2,-z+1/2;0,0,0) 4b (0,0,1/2;0,my,0) (1/2,0,1/2;0,-my,0) (0,1/2,0;0,-my,0) (1/2,1/2,0;0,my,0) 4a (0,0,0;0,my,0) (1/2,0,0;0,-my,0) (0,1/2,1/2;0,-my,0) (1/2,1/2,1/2;0,my,0) Operators (OG): (1|0,0,0) (2z|0,0,1/2) (2x|0,0,0) (2y|0,0,1/2) (-1|0,0,0) (mz|0,0,1/2) (mx|0,0,0) (my|0,0,1/2) (1|1/2,1/2,0)' (2z|1/2,1/2,1/2)' (2x|1/2,1/2,0)' (2y|1/2,1/2,1/2)' (-1|1/2,1/2,0)' (mz|1/2,1/2,1/2)' (mx|1/2,1/2,0)' (my|1/2,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (0,0,1)+ (1,0,0)+ (0,1,0)+ 16h (x,y,z;mx,my,mz) (-x,-y,z+1/2;-mx,-my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x,y,-z+1/2;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) 8g (x,y,1/4;0,0,mz) (-x,-y,3/4;0,0,mz) (x,-y,-1/4;0,0,-mz) (-x,y,1/4;0,0,-mz) (x+1/2,y+1/2,1/4;0,0,-mz) (-x+1/2,-y+1/2,3/4;0,0,-mz) (x+1/2,-y+1/2,-1/4;0,0,mz) (-x+1/2,y+1/2,1/4;0,0,mz) 8f (0,y,z;mx,0,0) (0,-y,z+1/2;-mx,0,0) (0,-y,-z;mx,0,0) (0,y,-z+1/2;-mx,0,0) (1/2,y+1/2,z;-mx,0,0) (1/2,-y+1/2,z+1/2;mx,0,0) (1/2,-y+1/2,-z;-mx,0,0) (1/2,y+1/2,-z+1/2;mx,0,0) 8e (x,0,0;mx,0,0) (-x,0,1/2;-mx,0,0) (-x,0,0;mx,0,0) (x,0,1/2;-mx,0,0) (x+1/2,1/2,0;-mx,0,0) (-x+1/2,1/2,1/2;mx,0,0) (-x+1/2,1/2,0;-mx,0,0) (x+1/2,1/2,1/2;mx,0,0) 8d (1/4,1/4,0;0,0,0) (-1/4,-1/4,1/2;0,0,0) (1/4,-1/4,0;0,0,0) (-1/4,1/4,1/2;0,0,0) (-1/4,-1/4,0;0,0,0) (1/4,1/4,1/2;0,0,0) (-1/4,1/4,0;0,0,0) (1/4,-1/4,1/2;0,0,0) 4c (0,y,1/4;0,0,0) (0,-y,3/4;0,0,0) (1/2,y+1/2,1/4;0,0,0) (1/2,-y+1/2,3/4;0,0,0) 4b (0,1/2,0;mx,0,0) (0,-1/2,1/2;-mx,0,0) (1/2,1,0;-mx,0,0) (1/2,0,1/2;mx,0,0) 4a (0,0,0;mx,0,0) (0,0,1/2;-mx,0,0) (1/2,1/2,0;-mx,0,0) (1/2,1/2,1/2;mx,0,0) ---------- UNI: 51.302 Pmma.1'_B[Bmmm] BNS: 51.302 P_Bmma OG: 65.13.557 C_Pm'mm OG-BNS transformation: (1/4,1/4,0;b,c,a) Operators (BNS): (1|0,0,0) (2x|1/2,0,0) (2y|0,0,0) (2z|1/2,0,0) (-1|0,0,0) (mx|1/2,0,0) (my|0,0,0) (mz|1/2,0,0) (1|1/2,0,1/2)' (2x|0,0,1/2)' (2y|1/2,0,1/2)' (2z|0,0,1/2)' (-1|1/2,0,1/2)' (mx|0,0,1/2)' (my|1/2,0,1/2)' (mz|0,0,1/2)' Wyckoff positions (BNS): 16r (x,y,z;mx,my,mz) (x+1/2,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x+1/2,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) (x+1/2,y,z+1/2;-mx,-my,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x,-y,z+1/2;mx,my,-mz) (-x+1/2,-y,-z+1/2;-mx,-my,-mz) (-x,y,z+1/2;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) (x,y,-z+1/2;mx,my,-mz) 8q (x,1/2,z;0,my,0) (x+1/2,1/2,-z;0,-my,0) (-x,1/2,-z;0,my,0) (-x+1/2,1/2,z;0,-my,0) (x+1/2,1/2,z+1/2;0,-my,0) (x,1/2,-z+1/2;0,my,0) (-x+1/2,1/2,-z+1/2;0,-my,0) (-x,1/2,z+1/2;0,my,0) 8p (x,0,z;0,my,0) (x+1/2,0,-z;0,-my,0) (-x,0,-z;0,my,0) (-x+1/2,0,z;0,-my,0) (x+1/2,0,z+1/2;0,-my,0) (x,0,-z+1/2;0,my,0) (-x+1/2,0,-z+1/2;0,-my,0) (-x,0,z+1/2;0,my,0) 8o (3/4,y,z;mx,0,0) (1/4,-y,-z;mx,0,0) (1/4,y,-z;-mx,0,0) (3/4,-y,z;-mx,0,0) (1/4,y,z+1/2;-mx,0,0) (3/4,-y,-z+1/2;-mx,0,0) (3/4,y,-z+1/2;mx,0,0) (1/4,-y,z+1/2;mx,0,0) 8n (x,y,3/4;mx,my,0) (x+1/2,-y,1/4;mx,-my,0) (-x,y,1/4;-mx,my,0) (-x+1/2,-y,3/4;-mx,-my,0) (-x,-y,1/4;mx,my,0) (-x+1/2,y,3/4;mx,-my,0) (x,-y,3/4;-mx,my,0) (x+1/2,y,1/4;-mx,-my,0) 8m (0,y,0;0,my,0) (1/2,-y,0;0,-my,0) (0,-y,0;0,my,0) (1/2,y,0;0,-my,0) (1/2,y,1/2;0,-my,0) (0,-y,1/2;0,my,0) (1/2,-y,1/2;0,-my,0) (0,y,1/2;0,my,0) 4l (1/4,y,3/4;mx,0,0) (3/4,-y,1/4;mx,0,0) (3/4,y,1/4;-mx,0,0) (1/4,-y,3/4;-mx,0,0) 4k (3/4,y,3/4;mx,0,0) (1/4,-y,1/4;mx,0,0) (1/4,y,1/4;-mx,0,0) (3/4,-y,3/4;-mx,0,0) 4j (x,1/2,3/4;0,my,0) (x+1/2,1/2,1/4;0,-my,0) (-x,1/2,1/4;0,my,0) (-x+1/2,1/2,3/4;0,-my,0) 4i (x,0,3/4;0,my,0) (x+1/2,0,1/4;0,-my,0) (-x,0,1/4;0,my,0) (-x+1/2,0,3/4;0,-my,0) 4h (3/4,1/2,z;0,0,0) (1/4,1/2,-z;0,0,0) (1/4,1/2,z+1/2;0,0,0) (3/4,1/2,-z+1/2;0,0,0) 4g (3/4,0,z;0,0,0) (1/4,0,-z;0,0,0) (1/4,0,z+1/2;0,0,0) (3/4,0,-z+1/2;0,0,0) 4f (0,1/2,0;0,my,0) (1/2,1/2,0;0,-my,0) (1/2,1/2,1/2;0,-my,0) (0,1/2,1/2;0,my,0) 4e (0,0,0;0,my,0) (1/2,0,0;0,-my,0) (1/2,0,1/2;0,-my,0) (0,0,1/2;0,my,0) 2d (3/4,1/2,3/4;0,0,0) (1/4,1/2,1/4;0,0,0) 2c (3/4,1/2,1/4;0,0,0) (1/4,1/2,3/4;0,0,0) 2b (3/4,0,1/4;0,0,0) (1/4,0,3/4;0,0,0) 2a (3/4,0,3/4;0,0,0) (1/4,0,1/4;0,0,0) Operators (OG): (1|0,0,0) (2y|1/2,1/2,0) (2z|1/2,1/2,0) (2x|0,0,0) (-1|1/2,1/2,0) (my|0,0,0) (mz|0,0,0) (mx|1/2,1/2,0) (1|1/2,1/2,0)' (2y|0,0,0)' (2z|0,0,0)' (2x|1/2,1/2,0)' (-1|0,0,0)' (my|1/2,1/2,0)' (mz|1/2,1/2,0)' (mx|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (0,1,0)+ (0,0,1)+ (1,0,0)+ 16r (x,y,z;mx,my,mz) (-x+1/2,y+1/2,-z;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (x,-y,-z;mx,-my,-mz) (-x+1/2,-y+1/2,-z;mx,my,mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x,y,-z;mx,-my,mz) (-x,-y,z;mx,my,-mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x,-y,-z;-mx,-my,-mz) (x+1/2,-y+1/2,z;mx,-my,mz) (x+1/2,y+1/2,-z;mx,my,-mz) (-x,y,z;-mx,my,mz) 8q (x,y,1/2;0,0,mz) (-x+1/2,y+1/2,-1/2;0,0,-mz) (-x+1/2,-y+1/2,1/2;0,0,mz) (x,-y,-1/2;0,0,-mz) (x+1/2,y+1/2,1/2;0,0,-mz) (-x,y,-1/2;0,0,mz) (-x,-y,1/2;0,0,-mz) (x+1/2,-y+1/2,-1/2;0,0,mz) 8p (x,y,0;0,0,mz) (-x+1/2,y+1/2,0;0,0,-mz) (-x+1/2,-y+1/2,0;0,0,mz) (x,-y,0;0,0,-mz) (x+1/2,y+1/2,0;0,0,-mz) (-x,y,0;0,0,mz) (-x,-y,0;0,0,-mz) (x+1/2,-y+1/2,0;0,0,mz) 8o (x,0,z;0,my,0) (-x+1/2,1/2,-z;0,my,0) (-x+1/2,1/2,z;0,-my,0) (x,0,-z;0,-my,0) (x+1/2,1/2,z;0,-my,0) (-x,0,-z;0,-my,0) (-x,0,z;0,my,0) (x+1/2,1/2,-z;0,my,0) 8n (0,y,z;0,my,mz) (1/2,y+1/2,-z;0,my,-mz) (1/2,-y+1/2,z;0,-my,mz) (0,-y,-z;0,-my,-mz) (1/2,-y+1/2,-z;0,my,mz) (0,-y,z;0,my,-mz) (0,y,-z;0,-my,mz) (1/2,y+1/2,z;0,-my,-mz) 8m (1/4,1/4,z;0,0,mz) (1/4,3/4,-z;0,0,-mz) (1/4,1/4,-z;0,0,mz) (1/4,-1/4,z;0,0,-mz) (3/4,3/4,z;0,0,-mz) (-1/4,1/4,-z;0,0,mz) (-1/4,-1/4,-z;0,0,-mz) (3/4,1/4,z;0,0,mz) 4l (0,1/2,z;0,my,0) (1/2,1,-z;0,my,0) (1/2,0,z;0,-my,0) (0,-1/2,-z;0,-my,0) 4k (0,0,z;0,my,0) (1/2,1/2,-z;0,my,0) (1/2,1/2,z;0,-my,0) (0,0,-z;0,-my,0) 4j (0,y,1/2;0,0,mz) (1/2,y+1/2,-1/2;0,0,-mz) (1/2,-y+1/2,1/2;0,0,mz) (0,-y,-1/2;0,0,-mz) 4i (0,y,0;0,0,mz) (1/2,y+1/2,0;0,0,-mz) (1/2,-y+1/2,0;0,0,mz) (0,-y,0;0,0,-mz) 4h (x,0,1/2;0,0,0) (-x+1/2,1/2,-1/2;0,0,0) (x+1/2,1/2,1/2;0,0,0) (-x,0,-1/2;0,0,0) 4g (x,0,0;0,0,0) (-x+1/2,1/2,0;0,0,0) (x+1/2,1/2,0;0,0,0) (-x,0,0;0,0,0) 4f (1/4,1/4,1/2;0,0,mz) (1/4,3/4,-1/2;0,0,-mz) (3/4,3/4,1/2;0,0,-mz) (-1/4,1/4,-1/2;0,0,mz) 4e (1/4,1/4,0;0,0,mz) (1/4,3/4,0;0,0,-mz) (3/4,3/4,0;0,0,-mz) (-1/4,1/4,0;0,0,mz) 2d (0,0,1/2;0,0,0) (1/2,1/2,-1/2;0,0,0) 2c (1/2,0,1/2;0,0,0) (0,1/2,-1/2;0,0,0) 2b (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,0;0,0,0) ---------- UNI: 51.303 Pmma.1'_C[Cmma] BNS: 51.303 P_Cmma OG: 67.14.590 C_Pmm'a OG-BNS transformation: (1/4,1/4,0;a,b,c) Operators (BNS): (1|0,0,0) (2x|1/2,0,0) (2y|0,0,0) (2z|1/2,0,0) (-1|0,0,0) (mx|1/2,0,0) (my|0,0,0) (mz|1/2,0,0) (1|1/2,1/2,0)' (2x|0,1/2,0)' (2y|1/2,1/2,0)' (2z|0,1/2,0)' (-1|1/2,1/2,0)' (mx|0,1/2,0)' (my|1/2,1/2,0)' (mz|0,1/2,0)' Wyckoff positions (BNS): 16o (x,y,z;mx,my,mz) (x+1/2,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x+1/2,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x,-y+1/2,-z;-mx,my,mz) (-x+1/2,y+1/2,-z;mx,-my,mz) (-x,-y+1/2,z;mx,my,-mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (-x,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z;mx,-my,mz) (x,y+1/2,-z;mx,my,-mz) 8n (x,0,z;0,my,0) (x+1/2,0,-z;0,-my,0) (-x,0,-z;0,my,0) (-x+1/2,0,z;0,-my,0) (x+1/2,1/2,z;0,-my,0) (x,1/2,-z;0,my,0) (-x+1/2,1/2,-z;0,-my,0) (-x,1/2,z;0,my,0) 8m (3/4,y,z;mx,0,0) (1/4,-y,-z;mx,0,0) (1/4,y,-z;-mx,0,0) (3/4,-y,z;-mx,0,0) (1/4,y+1/2,z;-mx,0,0) (3/4,-y+1/2,-z;-mx,0,0) (3/4,y+1/2,-z;mx,0,0) (1/4,-y+1/2,z;mx,0,0) 8l (0,3/4,z;mx,my,0) (1/2,1/4,-z;mx,-my,0) (0,3/4,-z;-mx,my,0) (1/2,1/4,z;-mx,-my,0) (0,1/4,-z;mx,my,0) (1/2,3/4,z;mx,-my,0) (0,1/4,z;-mx,my,0) (1/2,3/4,-z;-mx,-my,0) 8k (0,y,1/2;0,my,0) (1/2,-y,1/2;0,-my,0) (0,-y,1/2;0,my,0) (1/2,y,1/2;0,-my,0) (1/2,y+1/2,1/2;0,-my,0) (0,-y+1/2,1/2;0,my,0) (1/2,-y+1/2,1/2;0,-my,0) (0,y+1/2,1/2;0,my,0) 8j (0,y,0;0,my,0) (1/2,-y,0;0,-my,0) (0,-y,0;0,my,0) (1/2,y,0;0,-my,0) (1/2,y+1/2,0;0,-my,0) (0,-y+1/2,0;0,my,0) (1/2,-y+1/2,0;0,-my,0) (0,y+1/2,0;0,my,0) 8i (x,3/4,1/2;0,my,mz) (x+1/2,1/4,1/2;0,-my,-mz) (-x,3/4,1/2;0,my,-mz) (-x+1/2,1/4,1/2;0,-my,mz) (-x,1/4,1/2;0,my,mz) (-x+1/2,3/4,1/2;0,-my,-mz) (x,1/4,1/2;0,my,-mz) (x+1/2,3/4,1/2;0,-my,mz) 8h (x,3/4,0;0,my,mz) (x+1/2,1/4,0;0,-my,-mz) (-x,3/4,0;0,my,-mz) (-x+1/2,1/4,0;0,-my,mz) (-x,1/4,0;0,my,mz) (-x+1/2,3/4,0;0,-my,-mz) (x,1/4,0;0,my,-mz) (x+1/2,3/4,0;0,-my,mz) 4g (3/4,0,z;0,0,0) (1/4,0,-z;0,0,0) (1/4,1/2,z;0,0,0) (3/4,1/2,-z;0,0,0) 4f (0,0,1/2;0,my,0) (1/2,0,1/2;0,-my,0) (1/2,1/2,1/2;0,-my,0) (0,1/2,1/2;0,my,0) 4e (0,0,0;0,my,0) (1/2,0,0;0,-my,0) (1/2,1/2,0;0,-my,0) (0,1/2,0;0,my,0) 4d (3/4,3/4,1/2;0,0,0) (1/4,1/4,1/2;0,0,0) (1/4,3/4,1/2;0,0,0) (3/4,1/4,1/2;0,0,0) 4c (3/4,3/4,0;0,0,0) (1/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) (3/4,1/4,0;0,0,0) 4b (0,3/4,1/2;0,my,0) (1/2,1/4,1/2;0,-my,0) (0,1/4,1/2;0,my,0) (1/2,3/4,1/2;0,-my,0) 4a (0,3/4,0;0,my,0) (1/2,1/4,0;0,-my,0) (0,1/4,0;0,my,0) (1/2,3/4,0;0,-my,0) Operators (OG): (1|0,0,0) (2x|1/2,1/2,0) (2y|1/2,0,0) (2z|1,1/2,0) (-1|1/2,1/2,0) (mx|0,0,0) (my|1,1/2,0) (mz|1/2,0,0) (1|1/2,1/2,0)' (2x|0,0,0)' (2y|1,1/2,0)' (2z|1/2,0,0)' (-1|0,0,0)' (mx|1/2,1/2,0)' (my|1/2,0,0)' (mz|1,1/2,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16o (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y,-z;-mx,my,-mz) (-x+1,-y+1/2,z;-mx,-my,mz) (-x+1/2,-y+1/2,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x+1,-y+1/2,z;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x,-y,-z;-mx,my,mz) (-x+1,y+1/2,-z;mx,-my,mz) (-x+1/2,-y,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) (x+1,y+1/2,-z;mx,my,-mz) 8n (x,1/4,z;0,my,0) (x+1/2,1/4,-z;0,-my,0) (-x+1/2,1/4,-z;0,my,0) (-x+1,1/4,z;0,-my,0) (x+1/2,3/4,z;0,-my,0) (x,-1/4,-z;0,my,0) (-x+1,3/4,-z;0,-my,0) (-x+1/2,-1/4,z;0,my,0) 8m (0,y,z;mx,0,0) (1/2,-y+1/2,-z;mx,0,0) (1/2,y,-z;-mx,0,0) (1,-y+1/2,z;-mx,0,0) (1/2,y+1/2,z;-mx,0,0) (0,-y,-z;-mx,0,0) (1,y+1/2,-z;mx,0,0) (1/2,-y,z;mx,0,0) 8l (1/4,0,z;mx,my,0) (3/4,1/2,-z;mx,-my,0) (1/4,0,-z;-mx,my,0) (3/4,1/2,z;-mx,-my,0) (1/4,1/2,-z;mx,my,0) (-1/4,0,z;mx,-my,0) (5/4,1/2,z;-mx,my,0) (3/4,0,-z;-mx,-my,0) 8k (1/4,y,1/2;0,my,0) (3/4,-y+1/2,-1/2;0,-my,0) (1/4,-y+1/2,-1/2;0,my,0) (-1/4,y,1/2;0,-my,0) (3/4,y+1/2,1/2;0,-my,0) (1/4,-y,-1/2;0,my,0) (-1/4,-y,-1/2;0,-my,0) (1/4,y+1/2,1/2;0,my,0) 8j (1/4,y,0;0,my,0) (3/4,-y+1/2,0;0,-my,0) (1/4,-y+1/2,0;0,my,0) (-1/4,y,0;0,-my,0) (3/4,y+1/2,0;0,-my,0) (1/4,-y,0;0,my,0) (-1/4,-y,0;0,-my,0) (1/4,y+1/2,0;0,my,0) 8i (x,0,1/2;0,my,mz) (x+1/2,1/2,-1/2;0,-my,-mz) (-x+1/2,0,-1/2;0,my,-mz) (-x+1,1/2,1/2;0,-my,mz) (-x+1/2,1/2,-1/2;0,my,mz) (-x,0,1/2;0,-my,-mz) (x+1,1/2,1/2;0,my,-mz) (x+1/2,0,-1/2;0,-my,mz) 8h (x,0,0;0,my,mz) (x+1/2,1/2,0;0,-my,-mz) (-x+1/2,0,0;0,my,-mz) (-x+1,1/2,0;0,-my,mz) (-x+1/2,1/2,0;0,my,mz) (-x,0,0;0,-my,-mz) (x+1,1/2,0;0,my,-mz) (x+1/2,0,0;0,-my,mz) 4g (0,1/4,z;0,0,0) (1/2,1/4,-z;0,0,0) (1/2,3/4,z;0,0,0) (0,-1/4,-z;0,0,0) 4f (1/4,1/4,1/2;0,my,0) (3/4,1/4,-1/2;0,-my,0) (3/4,3/4,1/2;0,-my,0) (1/4,-1/4,-1/2;0,my,0) 4e (1/4,1/4,0;0,my,0) (3/4,1/4,0;0,-my,0) (3/4,3/4,0;0,-my,0) (1/4,-1/4,0;0,my,0) 4d (0,0,1/2;0,0,0) (1/2,1/2,-1/2;0,0,0) (1/2,0,-1/2;0,0,0) (1,1/2,1/2;0,0,0) 4c (0,0,0;0,0,0) (1/2,1/2,0;0,0,0) (1/2,0,0;0,0,0) (1,1/2,0;0,0,0) 4b (1/4,0,1/2;0,my,0) (3/4,1/2,-1/2;0,-my,0) (1/4,1/2,-1/2;0,my,0) (-1/4,0,1/2;0,-my,0) 4a (1/4,0,0;0,my,0) (3/4,1/2,0;0,-my,0) (1/4,1/2,0;0,my,0) (-1/4,0,0;0,-my,0) ---------- UNI: 51.304 Pmma.1'_I[Immb] BNS: 51.304 P_Imma OG: 74.8.657 I_Pmma OG-BNS transformation: (0,0,0;b,-a,c) Operators (BNS): (1|0,0,0) (2x|1/2,0,0) (2y|0,0,0) (2z|1/2,0,0) (-1|0,0,0) (mx|1/2,0,0) (my|0,0,0) (mz|1/2,0,0) (1|1/2,1/2,1/2)' (2x|0,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|0,1/2,1/2)' (-1|1/2,1/2,1/2)' (mx|0,1/2,1/2)' (my|1/2,1/2,1/2)' (mz|0,1/2,1/2)' Wyckoff positions (BNS): 16j (x,y,z;mx,my,mz) (x+1/2,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x+1/2,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (-x,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (x,y+1/2,-z+1/2;mx,my,-mz) 8i (1/4,y,z;mx,0,0) (3/4,-y,-z;mx,0,0) (3/4,y,-z;-mx,0,0) (1/4,-y,z;-mx,0,0) (3/4,y+1/2,z+1/2;-mx,0,0) (1/4,-y+1/2,-z+1/2;-mx,0,0) (1/4,y+1/2,-z+1/2;mx,0,0) (3/4,-y+1/2,z+1/2;mx,0,0) 8h (x,0,z;0,my,0) (x+1/2,0,-z;0,-my,0) (-x,0,-z;0,my,0) (-x+1/2,0,z;0,-my,0) (x+1/2,1/2,z+1/2;0,-my,0) (x,1/2,-z+1/2;0,my,0) (-x+1/2,1/2,-z+1/2;0,-my,0) (-x,1/2,z+1/2;0,my,0) 8g (x,3/4,1/4;0,my,mz) (x+1/2,1/4,3/4;0,-my,-mz) (-x,3/4,3/4;0,my,-mz) (-x+1/2,1/4,1/4;0,-my,mz) (-x,1/4,3/4;0,my,mz) (-x+1/2,3/4,1/4;0,-my,-mz) (x,1/4,1/4;0,my,-mz) (x+1/2,3/4,3/4;0,-my,mz) 8f (0,y,0;0,my,0) (1/2,-y,0;0,-my,0) (0,-y,0;0,my,0) (1/2,y,0;0,-my,0) (1/2,y+1/2,1/2;0,-my,0) (0,-y+1/2,1/2;0,my,0) (1/2,-y+1/2,1/2;0,-my,0) (0,y+1/2,1/2;0,my,0) 4e (1/4,0,z;0,0,0) (3/4,0,-z;0,0,0) (3/4,1/2,z+1/2;0,0,0) (1/4,1/2,-z+1/2;0,0,0) 4d (1/4,3/4,3/4;0,0,0) (3/4,1/4,1/4;0,0,0) (3/4,3/4,1/4;0,0,0) (1/4,1/4,3/4;0,0,0) 4c (1/4,3/4,1/4;0,0,0) (3/4,1/4,3/4;0,0,0) (3/4,3/4,3/4;0,0,0) (1/4,1/4,1/4;0,0,0) 4b (0,0,1/2;0,my,0) (1/2,0,1/2;0,-my,0) (1/2,1/2,0;0,-my,0) (0,1/2,0;0,my,0) 4a (0,0,0;0,my,0) (1/2,0,0;0,-my,0) (1/2,1/2,1/2;0,-my,0) (0,1/2,1/2;0,my,0) Operators (OG): (1|0,0,0) (2y|0,1/2,0) (2x|0,0,0) (2z|0,1/2,0) (-1|0,0,0) (my|0,1/2,0) (mx|0,0,0) (mz|0,1/2,0) (1|1/2,1/2,1/2)' (2y|1/2,1,1/2)' (2x|1/2,1/2,1/2)' (2z|1/2,1,1/2)' (-1|1/2,1/2,1/2)' (my|1/2,1,1/2)' (mx|1/2,1/2,1/2)' (mz|1/2,1,1/2)' Wyckoff positions (OG): (0,0,0)+ (0,1,0)+ (-1,0,0)+ (0,0,1)+ 16j (x,y,z;mx,my,mz) (-x,y+1/2,-z;-mx,my,-mz) (x,-y,-z;mx,-my,-mz) (-x,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (x,-y+1/2,z;-mx,my,-mz) (-x,y,z;mx,-my,-mz) (x,y+1/2,-z;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-x+1/2,y+1,-z+1/2;mx,-my,mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,-y+1,z+1/2;mx,my,-mz) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (x+1/2,-y+1,z+1/2;mx,-my,mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,y+1,-z+1/2;mx,my,-mz) 8i (x,1/4,z;0,my,0) (-x,3/4,-z;0,my,0) (x,-1/4,-z;0,-my,0) (-x,1/4,z;0,-my,0) (x+1/2,3/4,z+1/2;0,-my,0) (-x+1/2,5/4,-z+1/2;0,-my,0) (x+1/2,1/4,-z+1/2;0,my,0) (-x+1/2,3/4,z+1/2;0,my,0) 8h (0,y,z;mx,0,0) (0,y+1/2,-z;-mx,0,0) (0,-y,-z;mx,0,0) (0,-y+1/2,z;-mx,0,0) (1/2,y+1/2,z+1/2;-mx,0,0) (1/2,y+1,-z+1/2;mx,0,0) (1/2,-y+1/2,-z+1/2;-mx,0,0) (1/2,-y+1,z+1/2;mx,0,0) 8g (1/4,y,1/4;mx,0,mz) (-1/4,y+1/2,-1/4;-mx,0,-mz) (1/4,-y,-1/4;mx,0,-mz) (-1/4,-y+1/2,1/4;-mx,0,mz) (-1/4,-y,-1/4;mx,0,mz) (1/4,-y+1/2,1/4;-mx,0,-mz) (-1/4,y,1/4;mx,0,-mz) (1/4,y+1/2,-1/4;-mx,0,mz) 8f (x,0,0;mx,0,0) (-x,1/2,0;-mx,0,0) (-x,0,0;mx,0,0) (x,1/2,0;-mx,0,0) (x+1/2,1/2,1/2;-mx,0,0) (-x+1/2,1,1/2;mx,0,0) (-x+1/2,1/2,1/2;-mx,0,0) (x+1/2,1,1/2;mx,0,0) 4e (0,1/4,z;0,0,0) (0,3/4,-z;0,0,0) (1/2,3/4,z+1/2;0,0,0) (1/2,5/4,-z+1/2;0,0,0) 4d (1/4,1/4,3/4;0,0,0) (-1/4,3/4,-3/4;0,0,0) (1/4,-1/4,-3/4;0,0,0) (-1/4,1/4,3/4;0,0,0) 4c (1/4,1/4,1/4;0,0,0) (-1/4,3/4,-1/4;0,0,0) (1/4,-1/4,-1/4;0,0,0) (-1/4,1/4,1/4;0,0,0) 4b (0,0,1/2;mx,0,0) (0,1/2,-1/2;-mx,0,0) (1/2,1/2,1;-mx,0,0) (1/2,1,0;mx,0,0) 4a (0,0,0;mx,0,0) (0,1/2,0;-mx,0,0) (1/2,1/2,1/2;-mx,0,0) (1/2,1,1/2;mx,0,0) ---------- UNI: 52.305 Pnna.1 BNS: 52.305 Pnna OG: 52.1.406 Pnna Operators: (1|0,0,0) (2x|0,1/2,1/2) (2y|1/2,1/2,1/2) (2z|1/2,0,0) (-1|0,0,0) (mx|0,1/2,1/2) (my|1/2,1/2,1/2) (mz|1/2,0,0) Wyckoff positions: 8e (x,y,z;mx,my,mz) (x,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) 4d (x,1/4,1/4;mx,0,0) (-x+1/2,3/4,1/4;-mx,0,0) (-x,3/4,3/4;mx,0,0) (x+1/2,1/4,3/4;-mx,0,0) 4c (1/4,0,z;0,0,mz) (1/4,1/2,-z+1/2;0,0,-mz) (3/4,0,-z;0,0,mz) (3/4,1/2,z+1/2;0,0,-mz) 4b (0,0,1/2;mx,my,mz) (0,1/2,0;mx,-my,-mz) (1/2,1/2,0;-mx,my,-mz) (1/2,0,1/2;-mx,-my,mz) 4a (0,0,0;mx,my,mz) (0,1/2,1/2;mx,-my,-mz) (1/2,1/2,1/2;-mx,my,-mz) (1/2,0,0;-mx,-my,mz) ---------- UNI: 52.306 Pnna.1' BNS: 52.306 Pnna1' OG: 52.2.407 Pnna1' Operators: (1|0,0,0) (2x|0,1/2,1/2) (2y|1/2,1/2,1/2) (2z|1/2,0,0) (-1|0,0,0) (mx|0,1/2,1/2) (my|1/2,1/2,1/2) (mz|1/2,0,0) (1|0,0,0)' (2x|0,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|1/2,0,0)' (-1|0,0,0)' (mx|0,1/2,1/2)' (my|1/2,1/2,1/2)' (mz|1/2,0,0)' Wyckoff positions: 8e (x,y,z;0,0,0) (x,-y+1/2,-z+1/2;0,0,0) (-x+1/2,y+1/2,-z+1/2;0,0,0) (-x+1/2,-y,z;0,0,0) (-x,-y,-z;0,0,0) (-x,y+1/2,z+1/2;0,0,0) (x+1/2,-y+1/2,z+1/2;0,0,0) (x+1/2,y,-z;0,0,0) 4d (x,1/4,1/4;0,0,0) (-x+1/2,3/4,1/4;0,0,0) (-x,3/4,3/4;0,0,0) (x+1/2,1/4,3/4;0,0,0) 4c (1/4,0,z;0,0,0) (1/4,1/2,-z+1/2;0,0,0) (3/4,0,-z;0,0,0) (3/4,1/2,z+1/2;0,0,0) 4b (0,0,1/2;0,0,0) (0,1/2,0;0,0,0) (1/2,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) 4a (0,0,0;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) (1/2,0,0;0,0,0) ---------- UNI: 52.307 Pn'na BNS: 52.307 Pn'na OG: 52.3.408 Pn'na Operators: (1|0,0,0) (2x|0,1/2,1/2) (2y|1/2,1/2,1/2)' (2z|1/2,0,0)' (-1|0,0,0)' (mx|0,1/2,1/2)' (my|1/2,1/2,1/2) (mz|1/2,0,0) Wyckoff positions: 8e (x,y,z;mx,my,mz) (x,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) 4d (x,1/4,1/4;mx,0,0) (-x+1/2,3/4,1/4;mx,0,0) (-x,3/4,3/4;-mx,0,0) (x+1/2,1/4,3/4;-mx,0,0) 4c (1/4,0,z;mx,my,0) (1/4,1/2,-z+1/2;mx,-my,0) (3/4,0,-z;-mx,-my,0) (3/4,1/2,z+1/2;-mx,my,0) 4b (0,0,1/2;0,0,0) (0,1/2,0;0,0,0) (1/2,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) 4a (0,0,0;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) (1/2,0,0;0,0,0) ---------- UNI: 52.308 Pnn'a BNS: 52.308 Pnn'a OG: 52.4.409 Pnn'a Operators: (1|0,0,0) (2x|0,1/2,1/2)' (2y|1/2,1/2,1/2) (2z|1/2,0,0)' (-1|0,0,0)' (mx|0,1/2,1/2) (my|1/2,1/2,1/2)' (mz|1/2,0,0) Wyckoff positions: 8e (x,y,z;mx,my,mz) (x,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (x+1/2,y,-z;-mx,-my,mz) 4d (x,1/4,1/4;0,my,mz) (-x+1/2,3/4,1/4;0,my,-mz) (-x,3/4,3/4;0,-my,-mz) (x+1/2,1/4,3/4;0,-my,mz) 4c (1/4,0,z;mx,my,0) (1/4,1/2,-z+1/2;-mx,my,0) (3/4,0,-z;-mx,-my,0) (3/4,1/2,z+1/2;mx,-my,0) 4b (0,0,1/2;0,0,0) (0,1/2,0;0,0,0) (1/2,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) 4a (0,0,0;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) (1/2,0,0;0,0,0) ---------- UNI: 52.309 Pnna' BNS: 52.309 Pnna' OG: 52.5.410 Pnna' Operators: (1|0,0,0) (2x|0,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|1/2,0,0) (-1|0,0,0)' (mx|0,1/2,1/2) (my|1/2,1/2,1/2) (mz|1/2,0,0)' Wyckoff positions: 8e (x,y,z;mx,my,mz) (x,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y,z;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y,-z;mx,my,-mz) 4d (x,1/4,1/4;0,my,mz) (-x+1/2,3/4,1/4;0,-my,mz) (-x,3/4,3/4;0,-my,-mz) (x+1/2,1/4,3/4;0,my,-mz) 4c (1/4,0,z;0,0,mz) (1/4,1/2,-z+1/2;0,0,mz) (3/4,0,-z;0,0,-mz) (3/4,1/2,z+1/2;0,0,-mz) 4b (0,0,1/2;0,0,0) (0,1/2,0;0,0,0) (1/2,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) 4a (0,0,0;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) (1/2,0,0;0,0,0) ---------- UNI: 52.310 Pn'n'a BNS: 52.310 Pn'n'a OG: 52.6.411 Pn'n'a Operators: (1|0,0,0) (2x|0,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|1/2,0,0) (-1|0,0,0) (mx|0,1/2,1/2)' (my|1/2,1/2,1/2)' (mz|1/2,0,0) Wyckoff positions: 8e (x,y,z;mx,my,mz) (x,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (x+1/2,y,-z;-mx,-my,mz) 4d (x,1/4,1/4;0,my,mz) (-x+1/2,3/4,1/4;0,-my,mz) (-x,3/4,3/4;0,my,mz) (x+1/2,1/4,3/4;0,-my,mz) 4c (1/4,0,z;0,0,mz) (1/4,1/2,-z+1/2;0,0,mz) (3/4,0,-z;0,0,mz) (3/4,1/2,z+1/2;0,0,mz) 4b (0,0,1/2;mx,my,mz) (0,1/2,0;-mx,my,mz) (1/2,1/2,0;mx,-my,mz) (1/2,0,1/2;-mx,-my,mz) 4a (0,0,0;mx,my,mz) (0,1/2,1/2;-mx,my,mz) (1/2,1/2,1/2;mx,-my,mz) (1/2,0,0;-mx,-my,mz) ---------- UNI: 52.311 Pnn'a' BNS: 52.311 Pnn'a' OG: 52.7.412 Pnn'a' Operators: (1|0,0,0) (2x|0,1/2,1/2) (2y|1/2,1/2,1/2)' (2z|1/2,0,0)' (-1|0,0,0) (mx|0,1/2,1/2) (my|1/2,1/2,1/2)' (mz|1/2,0,0)' Wyckoff positions: 8e (x,y,z;mx,my,mz) (x,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y,z;mx,my,-mz) (-x,-y,-z;mx,my,mz) (-x,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (x+1/2,y,-z;mx,my,-mz) 4d (x,1/4,1/4;mx,0,0) (-x+1/2,3/4,1/4;mx,0,0) (-x,3/4,3/4;mx,0,0) (x+1/2,1/4,3/4;mx,0,0) 4c (1/4,0,z;mx,my,0) (1/4,1/2,-z+1/2;mx,-my,0) (3/4,0,-z;mx,my,0) (3/4,1/2,z+1/2;mx,-my,0) 4b (0,0,1/2;mx,my,mz) (0,1/2,0;mx,-my,-mz) (1/2,1/2,0;mx,-my,mz) (1/2,0,1/2;mx,my,-mz) 4a (0,0,0;mx,my,mz) (0,1/2,1/2;mx,-my,-mz) (1/2,1/2,1/2;mx,-my,mz) (1/2,0,0;mx,my,-mz) ---------- UNI: 52.312 Pn'na' BNS: 52.312 Pn'na' OG: 52.8.413 Pn'na' Operators: (1|0,0,0) (2x|0,1/2,1/2)' (2y|1/2,1/2,1/2) (2z|1/2,0,0)' (-1|0,0,0) (mx|0,1/2,1/2)' (my|1/2,1/2,1/2) (mz|1/2,0,0)' Wyckoff positions: 8e (x,y,z;mx,my,mz) (x,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z;mx,my,-mz) (-x,-y,-z;mx,my,mz) (-x,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y,-z;mx,my,-mz) 4d (x,1/4,1/4;0,my,mz) (-x+1/2,3/4,1/4;0,my,-mz) (-x,3/4,3/4;0,my,mz) (x+1/2,1/4,3/4;0,my,-mz) 4c (1/4,0,z;mx,my,0) (1/4,1/2,-z+1/2;-mx,my,0) (3/4,0,-z;mx,my,0) (3/4,1/2,z+1/2;-mx,my,0) 4b (0,0,1/2;mx,my,mz) (0,1/2,0;-mx,my,mz) (1/2,1/2,0;-mx,my,-mz) (1/2,0,1/2;mx,my,-mz) 4a (0,0,0;mx,my,mz) (0,1/2,1/2;-mx,my,mz) (1/2,1/2,1/2;-mx,my,-mz) (1/2,0,0;mx,my,-mz) ---------- UNI: 52.313 Pn'n'a' BNS: 52.313 Pn'n'a' OG: 52.9.414 Pn'n'a' Operators: (1|0,0,0) (2x|0,1/2,1/2) (2y|1/2,1/2,1/2) (2z|1/2,0,0) (-1|0,0,0)' (mx|0,1/2,1/2)' (my|1/2,1/2,1/2)' (mz|1/2,0,0)' Wyckoff positions: 8e (x,y,z;mx,my,mz) (x,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (x+1/2,y,-z;mx,my,-mz) 4d (x,1/4,1/4;mx,0,0) (-x+1/2,3/4,1/4;-mx,0,0) (-x,3/4,3/4;-mx,0,0) (x+1/2,1/4,3/4;mx,0,0) 4c (1/4,0,z;0,0,mz) (1/4,1/2,-z+1/2;0,0,-mz) (3/4,0,-z;0,0,-mz) (3/4,1/2,z+1/2;0,0,mz) 4b (0,0,1/2;0,0,0) (0,1/2,0;0,0,0) (1/2,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) 4a (0,0,0;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) (1/2,0,0;0,0,0) ---------- UNI: 52.314 Pnna.1'_a[Pncm] BNS: 52.314 P_anna OG: 53.13.427 P_2bm'na' OG-BNS transformation: (0,0,0;2b,c,a) Operators (BNS): (1|0,0,0) (2x|0,1/2,1/2) (2y|1/2,1/2,1/2) (2z|1/2,0,0) (-1|0,0,0) (mx|0,1/2,1/2) (my|1/2,1/2,1/2) (mz|1/2,0,0) (1|1/2,0,0)' (2x|1/2,1/2,1/2)' (2y|0,1/2,1/2)' (2z|0,0,0)' (-1|1/2,0,0)' (mx|1/2,1/2,1/2)' (my|0,1/2,1/2)' (mz|0,0,0)' Wyckoff positions (BNS): 16i (x,y,z;mx,my,mz) (x,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) (x+1/2,y,z;-mx,-my,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x,y+1/2,-z+1/2;mx,-my,mz) (-x,-y,z;mx,my,-mz) (-x+1/2,-y,-z;-mx,-my,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x,-y+1/2,z+1/2;mx,-my,mz) (x,y,-z;mx,my,-mz) 8h (x,y,0;mx,my,0) (x,-y+1/2,1/2;mx,-my,0) (-x+1/2,y+1/2,1/2;-mx,my,0) (-x+1/2,-y,0;-mx,-my,0) (-x,-y,0;mx,my,0) (-x,y+1/2,1/2;mx,-my,0) (x+1/2,-y+1/2,1/2;-mx,my,0) (x+1/2,y,0;-mx,-my,0) 8g (x,1/4,1/4;mx,0,0) (-x+1/2,3/4,1/4;-mx,0,0) (-x,3/4,3/4;mx,0,0) (x+1/2,1/4,3/4;-mx,0,0) (x+1/2,1/4,1/4;-mx,0,0) (-x,3/4,1/4;mx,0,0) (-x+1/2,3/4,3/4;-mx,0,0) (x,1/4,3/4;mx,0,0) 8f (1/4,0,z;0,0,mz) (1/4,1/2,-z+1/2;0,0,-mz) (3/4,0,-z;0,0,mz) (3/4,1/2,z+1/2;0,0,-mz) (3/4,0,z;0,0,-mz) (3/4,1/2,-z+1/2;0,0,mz) (1/4,0,-z;0,0,-mz) (1/4,1/2,z+1/2;0,0,mz) 8e (0,0,z;mx,my,0) (0,1/2,-z+1/2;mx,-my,0) (1/2,1/2,-z+1/2;-mx,my,0) (1/2,0,z;-mx,-my,0) (0,0,-z;mx,my,0) (0,1/2,z+1/2;mx,-my,0) (1/2,1/2,z+1/2;-mx,my,0) (1/2,0,-z;-mx,-my,0) 4d (1/4,0,0;0,0,0) (1/4,1/2,1/2;0,0,0) (3/4,0,0;0,0,0) (3/4,1/2,1/2;0,0,0) 4c (1/4,0,1/2;0,0,0) (1/4,1/2,0;0,0,0) (3/4,0,1/2;0,0,0) (3/4,1/2,0;0,0,0) 4b (0,0,1/2;mx,my,0) (0,1/2,0;mx,-my,0) (1/2,1/2,0;-mx,my,0) (1/2,0,1/2;-mx,-my,0) 4a (0,0,0;mx,my,0) (0,1/2,1/2;mx,-my,0) (1/2,1/2,1/2;-mx,my,0) (1/2,0,0;-mx,-my,0) Operators (OG): (1|0,0,0) (2y|1/2,0,1/2) (2z|1/2,1,1/2) (2x|0,1,0) (-1|0,0,0) (my|1/2,0,1/2) (mz|1/2,1,1/2) (mx|0,1,0) (1|0,1,0)' (2y|1/2,1,1/2)' (2z|1/2,0,1/2)' (2x|0,0,0)' (-1|0,1,0)' (my|1/2,1,1/2)' (mz|1/2,0,1/2)' (mx|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (0,2,0)+ (0,0,1)+ (1,0,0)+ 16i (x,y,z;mx,my,mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1,z+1/2;-mx,-my,mz) (x,-y+1,-z;mx,-my,-mz) (-x,-y,-z;mx,my,mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1,-z+1/2;-mx,-my,mz) (-x,y+1,z;mx,-my,-mz) (x,y+1,z;-mx,-my,-mz) (-x+1/2,y+1,-z+1/2;mx,-my,mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (x,-y,-z;-mx,my,mz) (-x,-y+1,-z;-mx,-my,-mz) (x+1/2,-y+1,z+1/2;mx,-my,mz) (x+1/2,y,-z+1/2;mx,my,-mz) (-x,y,z;-mx,my,mz) 8h (0,y,z;0,my,mz) (1/2,y,-z+1/2;0,my,-mz) (1/2,-y+1,z+1/2;0,-my,mz) (0,-y+1,-z;0,-my,-mz) (0,-y,-z;0,my,mz) (1/2,-y,z+1/2;0,my,-mz) (1/2,y+1,-z+1/2;0,-my,mz) (0,y+1,z;0,-my,-mz) 8g (1/4,y,1/4;0,my,0) (1/4,-y+1,3/4;0,-my,0) (-1/4,-y,-1/4;0,my,0) (3/4,y+1,1/4;0,-my,0) (1/4,y+1,1/4;0,-my,0) (1/4,-y,3/4;0,my,0) (-1/4,-y+1,-1/4;0,-my,0) (3/4,y,1/4;0,my,0) 8f (x,1/2,0;mx,0,0) (-x+1/2,1/2,1/2;-mx,0,0) (-x,-1/2,0;mx,0,0) (x+1/2,-1/2,1/2;-mx,0,0) (x,3/2,0;-mx,0,0) (-x+1/2,3/2,1/2;mx,0,0) (-x,1/2,0;-mx,0,0) (x+1/2,1/2,1/2;mx,0,0) 8e (x,0,0;0,my,mz) (-x+1/2,0,1/2;0,my,-mz) (-x+1/2,1,1/2;0,-my,mz) (x,1,0;0,-my,-mz) (-x,0,0;0,my,mz) (x+1/2,0,1/2;0,my,-mz) (x+1/2,1,1/2;0,-my,mz) (-x,1,0;0,-my,-mz) 4d (0,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) (0,-1/2,0;0,0,0) (1/2,-1/2,1/2;0,0,0) 4c (1/2,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) (-1/2,-1/2,0;0,0,0) (1,-1/2,1/2;0,0,0) 4b (1/2,0,0;0,my,mz) (0,0,1/2;0,my,-mz) (0,1,1/2;0,-my,mz) (1/2,1,0;0,-my,-mz) 4a (0,0,0;0,my,mz) (1/2,0,1/2;0,my,-mz) (1/2,1,1/2;0,-my,mz) (0,1,0;0,-my,-mz) ---------- UNI: 52.315 Pnna.1'_b[Pcna] BNS: 52.315 P_bnna OG: 50.9.385 P_2cb'an OG-BNS transformation: (1/2,1/2,1/2;a,-2c,b) Operators (BNS): (1|0,0,0) (2x|0,1/2,1/2) (2y|1/2,1/2,1/2) (2z|1/2,0,0) (-1|0,0,0) (mx|0,1/2,1/2) (my|1/2,1/2,1/2) (mz|1/2,0,0) (1|0,1/2,0)' (2x|0,0,1/2)' (2y|1/2,0,1/2)' (2z|1/2,1/2,0)' (-1|0,1/2,0)' (mx|0,0,1/2)' (my|1/2,0,1/2)' (mz|1/2,1/2,0)' Wyckoff positions (BNS): 16m (x,y,z;mx,my,mz) (x,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) (x,y+1/2,z;-mx,-my,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x,-y+1/2,-z;-mx,-my,-mz) (-x,y,z+1/2;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z;mx,my,-mz) 8l (3/4,y,1/4;mx,0,mz) (3/4,-y+1/2,1/4;mx,0,-mz) (3/4,y+1/2,1/4;-mx,0,-mz) (3/4,-y,1/4;-mx,0,mz) (1/4,-y,3/4;mx,0,mz) (1/4,y+1/2,3/4;mx,0,-mz) (1/4,-y+1/2,3/4;-mx,0,-mz) (1/4,y,3/4;-mx,0,mz) 8k (3/4,y,3/4;mx,0,mz) (3/4,-y+1/2,3/4;mx,0,-mz) (3/4,y+1/2,3/4;-mx,0,-mz) (3/4,-y,3/4;-mx,0,mz) (1/4,-y,1/4;mx,0,mz) (1/4,y+1/2,1/4;mx,0,-mz) (1/4,-y+1/2,1/4;-mx,0,-mz) (1/4,y,1/4;-mx,0,mz) 8j (3/4,0,z;0,0,mz) (3/4,1/2,-z+1/2;0,0,-mz) (1/4,0,-z;0,0,mz) (1/4,1/2,z+1/2;0,0,-mz) (3/4,1/2,z;0,0,-mz) (3/4,0,-z+1/2;0,0,mz) (1/4,1/2,-z;0,0,-mz) (1/4,0,z+1/2;0,0,mz) 8i (3/4,1/4,z;mx,my,0) (3/4,1/4,-z+1/2;mx,-my,0) (3/4,3/4,-z+1/2;-mx,my,0) (3/4,3/4,z;-mx,-my,0) (1/4,3/4,-z;mx,my,0) (1/4,3/4,z+1/2;mx,-my,0) (1/4,1/4,z+1/2;-mx,my,0) (1/4,1/4,-z;-mx,-my,0) 8h (x,0,3/4;0,my,mz) (x,1/2,3/4;0,-my,-mz) (-x+1/2,1/2,3/4;0,my,-mz) (-x+1/2,0,3/4;0,-my,mz) (-x,0,1/4;0,my,mz) (-x,1/2,1/4;0,-my,-mz) (x+1/2,1/2,1/4;0,my,-mz) (x+1/2,0,1/4;0,-my,mz) 8g (x,1/4,3/4;mx,0,0) (-x+1/2,3/4,3/4;-mx,0,0) (-x,3/4,1/4;mx,0,0) (x+1/2,1/4,1/4;-mx,0,0) (x,3/4,3/4;-mx,0,0) (-x+1/2,1/4,3/4;mx,0,0) (-x,1/4,1/4;-mx,0,0) (x+1/2,3/4,1/4;mx,0,0) 8f (1/2,0,1/2;mx,my,mz) (1/2,1/2,0;mx,-my,-mz) (0,1/2,0;-mx,my,-mz) (0,0,1/2;-mx,-my,mz) (1/2,1/2,1/2;-mx,-my,-mz) (1/2,0,0;-mx,my,mz) (0,0,0;mx,-my,mz) (0,1/2,1/2;mx,my,-mz) 8e (1/2,1/4,1/2;0,0,0) (1/2,1/4,0;0,0,0) (0,3/4,0;0,0,0) (0,3/4,1/2;0,0,0) (1/2,3/4,1/2;0,0,0) (1/2,3/4,0;0,0,0) (0,1/4,0;0,0,0) (0,1/4,1/2;0,0,0) 4d (3/4,0,3/4;0,0,mz) (3/4,1/2,3/4;0,0,-mz) (1/4,0,1/4;0,0,mz) (1/4,1/2,1/4;0,0,-mz) 4c (1/4,0,3/4;0,0,mz) (1/4,1/2,3/4;0,0,-mz) (3/4,0,1/4;0,0,mz) (3/4,1/2,1/4;0,0,-mz) 4b (1/4,1/4,3/4;mx,0,0) (1/4,3/4,3/4;-mx,0,0) (3/4,3/4,1/4;mx,0,0) (3/4,1/4,1/4;-mx,0,0) 4a (3/4,1/4,3/4;mx,0,0) (3/4,3/4,3/4;-mx,0,0) (1/4,3/4,1/4;mx,0,0) (1/4,1/4,1/4;-mx,0,0) Operators (OG): (1|0,0,0) (2x|0,1/2,0) (2z|1/2,1/2,1) (2y|1/2,0,1) (-1|0,0,1) (mx|0,1/2,1) (mz|1/2,1/2,0) (my|1/2,0,0) (1|0,0,1)' (2x|0,1/2,1)' (2z|1/2,1/2,0)' (2y|1/2,0,0)' (-1|0,0,0)' (mx|0,1/2,0)' (mz|1/2,1/2,1)' (my|1/2,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,0,-2)+ (0,1,0)+ 16m (x,y,z;mx,my,mz) (x,-y+1/2,-z;mx,-my,-mz) (-x+1/2,-y+1/2,z+1;-mx,-my,mz) (-x+1/2,y,-z+1;-mx,my,-mz) (-x,-y,-z+1;mx,my,mz) (-x,y+1/2,z+1;mx,-my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (x+1/2,-y,z;-mx,my,-mz) (x,y,z+1;-mx,-my,-mz) (x,-y+1/2,-z+1;-mx,my,mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x+1/2,y,-z;mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x,y+1/2,z;-mx,my,mz) (x+1/2,y+1/2,-z+1;mx,my,-mz) (x+1/2,-y,z+1;mx,-my,mz) 8l (1/4,3/4,z;mx,my,0) (1/4,-1/4,-z;mx,-my,0) (1/4,-1/4,z+1;-mx,-my,0) (1/4,3/4,-z+1;-mx,my,0) (-1/4,-3/4,-z+1;mx,my,0) (-1/4,5/4,z+1;mx,-my,0) (3/4,5/4,-z;-mx,-my,0) (3/4,-3/4,z;-mx,my,0) 8k (1/4,1/4,z;mx,my,0) (1/4,1/4,-z;mx,-my,0) (1/4,1/4,z+1;-mx,-my,0) (1/4,1/4,-z+1;-mx,my,0) (-1/4,-1/4,-z+1;mx,my,0) (-1/4,3/4,z+1;mx,-my,0) (3/4,3/4,-z;-mx,-my,0) (3/4,-1/4,z;-mx,my,0) 8j (1/4,y,1/2;0,my,0) (1/4,-y+1/2,-1/2;0,-my,0) (-1/4,-y,1/2;0,my,0) (-1/4,y+1/2,3/2;0,-my,0) (1/4,y,3/2;0,-my,0) (1/4,-y+1/2,1/2;0,my,0) (-1/4,-y,-1/2;0,-my,0) (-1/4,y+1/2,1/2;0,my,0) 8i (1/4,y,0;mx,0,mz) (1/4,-y+1/2,0;mx,0,-mz) (1/4,-y+1/2,1;-mx,0,mz) (1/4,y,1;-mx,0,-mz) (-1/4,-y,1;mx,0,mz) (-1/4,y+1/2,1;mx,0,-mz) (3/4,y+1/2,0;-mx,0,mz) (3/4,-y,0;-mx,0,-mz) 8h (x,1/4,1/2;0,my,mz) (x,1/4,-1/2;0,-my,-mz) (-x+1/2,1/4,3/2;0,-my,mz) (-x+1/2,1/4,1/2;0,my,-mz) (-x,-1/4,1/2;0,my,mz) (-x,3/4,3/2;0,-my,-mz) (x+1/2,3/4,-1/2;0,-my,mz) (x+1/2,-1/4,1/2;0,my,-mz) 8g (x,1/4,0;mx,0,0) (-x+1/2,1/4,1;-mx,0,0) (-x,-1/4,1;mx,0,0) (x+1/2,3/4,0;-mx,0,0) (x,1/4,1;-mx,0,0) (-x+1/2,1/4,0;mx,0,0) (-x,-1/4,0;-mx,0,0) (x+1/2,3/4,1;mx,0,0) 8f (0,0,1/2;mx,my,mz) (0,1/2,-1/2;mx,-my,-mz) (1/2,1/2,3/2;-mx,-my,mz) (1/2,0,1/2;-mx,my,-mz) (0,0,3/2;-mx,-my,-mz) (0,1/2,1/2;-mx,my,mz) (1/2,1/2,1/2;mx,my,-mz) (1/2,0,-1/2;mx,-my,mz) 8e (0,0,0;0,0,0) (0,1/2,0;0,0,0) (1/2,1/2,1;0,0,0) (1/2,0,1;0,0,0) (0,0,1;0,0,0) (0,1/2,1;0,0,0) (1/2,1/2,0;0,0,0) (1/2,0,0;0,0,0) 4d (1/4,1/4,1/2;0,my,0) (1/4,1/4,-1/2;0,-my,0) (-1/4,-1/4,1/2;0,my,0) (-1/4,3/4,3/2;0,-my,0) 4c (3/4,1/4,1/2;0,my,0) (3/4,1/4,-1/2;0,-my,0) (-3/4,-1/4,1/2;0,my,0) (-3/4,3/4,3/2;0,-my,0) 4b (3/4,1/4,0;mx,0,0) (-1/4,1/4,1;-mx,0,0) (-3/4,-1/4,1;mx,0,0) (5/4,3/4,0;-mx,0,0) 4a (1/4,1/4,0;mx,0,0) (1/4,1/4,1;-mx,0,0) (-1/4,-1/4,1;mx,0,0) (3/4,3/4,0;-mx,0,0) ---------- UNI: 52.316 Pnna.1'_c[Pbaa] BNS: 52.316 P_cnna OG: 54.13.440 P_2bc'ca' OG-BNS transformation: (0,0,0;c,a,2b) Operators (BNS): (1|0,0,0) (2x|0,1/2,1/2) (2y|1/2,1/2,1/2) (2z|1/2,0,0) (-1|0,0,0) (mx|0,1/2,1/2) (my|1/2,1/2,1/2) (mz|1/2,0,0) (1|0,0,1/2)' (2x|0,1/2,0)' (2y|1/2,1/2,0)' (2z|1/2,0,1/2)' (-1|0,0,1/2)' (mx|0,1/2,0)' (my|1/2,1/2,0)' (mz|1/2,0,1/2)' Wyckoff positions (BNS): 16f (x,y,z;mx,my,mz) (x,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) (x,y,z+1/2;-mx,-my,-mz) (x,-y+1/2,-z;-mx,my,mz) (-x+1/2,y+1/2,-z;mx,-my,mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x,-y,-z+1/2;-mx,-my,-mz) (-x,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z;mx,-my,mz) (x+1/2,y,-z+1/2;mx,my,-mz) 8e (x,1/4,1/4;mx,0,0) (-x+1/2,3/4,1/4;-mx,0,0) (-x,3/4,3/4;mx,0,0) (x+1/2,1/4,3/4;-mx,0,0) (x,1/4,3/4;-mx,0,0) (-x+1/2,3/4,3/4;mx,0,0) (-x,3/4,1/4;-mx,0,0) (x+1/2,1/4,1/4;mx,0,0) 8d (x,1/4,0;0,my,mz) (x,1/4,1/2;0,-my,-mz) (-x+1/2,3/4,1/2;0,my,-mz) (-x+1/2,3/4,0;0,-my,mz) (-x,3/4,0;0,my,mz) (-x,3/4,1/2;0,-my,-mz) (x+1/2,1/4,1/2;0,my,-mz) (x+1/2,1/4,0;0,-my,mz) 8c (1/4,0,z;0,0,mz) (1/4,1/2,-z+1/2;0,0,-mz) (3/4,0,-z;0,0,mz) (3/4,1/2,z+1/2;0,0,-mz) (1/4,0,z+1/2;0,0,-mz) (1/4,1/2,-z;0,0,mz) (3/4,0,-z+1/2;0,0,-mz) (3/4,1/2,z;0,0,mz) 8b (0,0,1/4;0,0,0) (0,1/2,1/4;0,0,0) (1/2,1/2,1/4;0,0,0) (1/2,0,1/4;0,0,0) (0,0,3/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,1/2,3/4;0,0,0) (1/2,0,3/4;0,0,0) 8a (0,0,0;mx,my,mz) (0,1/2,1/2;mx,-my,-mz) (1/2,1/2,1/2;-mx,my,-mz) (1/2,0,0;-mx,-my,mz) (0,0,1/2;-mx,-my,-mz) (0,1/2,0;-mx,my,mz) (1/2,1/2,0;mx,-my,mz) (1/2,0,1/2;mx,my,-mz) Operators (OG): (1|0,0,0) (2z|1/2,1,0) (2x|1/2,1,1/2) (2y|0,0,1/2) (-1|0,0,0) (mz|1/2,1,0) (mx|1/2,1,1/2) (my|0,0,1/2) (1|0,1,0)' (2z|1/2,0,0)' (2x|1/2,0,1/2)' (2y|0,1,1/2)' (-1|0,1,0)' (mz|1/2,0,0)' (mx|1/2,0,1/2)' (my|0,1,1/2)' Wyckoff positions (OG): (0,0,0)+ (0,0,1)+ (1,0,0)+ (0,2,0)+ 16f (x,y,z;mx,my,mz) (-x+1/2,-y+1,z;-mx,-my,mz) (x+1/2,-y+1,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x+1/2,y+1,-z;-mx,-my,mz) (-x+1/2,y+1,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y+1,z;-mx,-my,-mz) (-x+1/2,-y,z;mx,my,-mz) (x+1/2,-y,-z+1/2;-mx,my,mz) (-x,y+1,-z+1/2;mx,-my,mz) (-x,-y+1,-z;-mx,-my,-mz) (x+1/2,y,-z;mx,my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x,-y+1,z+1/2;mx,-my,mz) 8e (1/4,1/2,z;0,0,mz) (3/4,1/2,-z+1/2;0,0,-mz) (-1/4,-1/2,-z;0,0,mz) (1/4,3/2,z+1/2;0,0,-mz) (1/4,3/2,z;0,0,-mz) (3/4,-1/2,-z+1/2;0,0,mz) (-1/4,1/2,-z;0,0,-mz) (1/4,1/2,z+1/2;0,0,mz) 8d (1/4,0,z;mx,my,0) (1/4,1,z;-mx,-my,0) (3/4,1,-z+1/2;mx,-my,0) (-1/4,0,-z+1/2;-mx,my,0) (-1/4,0,-z;mx,my,0) (3/4,1,-z;-mx,-my,0) (1/4,1,z+1/2;mx,-my,0) (1/4,0,z+1/2;-mx,my,0) 8c (0,y,1/4;0,my,0) (1/2,-y+1,1/4;0,-my,0) (0,-y,-1/4;0,my,0) (1/2,y+1,-1/4;0,-my,0) (0,y+1,1/4;0,-my,0) (1/2,-y,1/4;0,my,0) (0,-y+1,-1/4;0,-my,0) (1/2,y,-1/4;0,my,0) 8b (0,1/2,0;0,0,0) (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) (0,1/2,1/2;0,0,0) (0,-1/2,0;0,0,0) (1/2,3/2,0;0,0,0) (1/2,3/2,1/2;0,0,0) (0,-1/2,1/2;0,0,0) 8a (0,0,0;mx,my,mz) (1/2,1,0;-mx,-my,mz) (1/2,1,1/2;mx,-my,-mz) (0,0,1/2;-mx,my,-mz) (0,1,0;-mx,-my,-mz) (1/2,0,0;mx,my,-mz) (1/2,0,1/2;-mx,my,mz) (0,1,1/2;mx,-my,mz) ---------- UNI: 52.317 Pnna.1'_A[Amaa] BNS: 52.317 P_Anna OG: 66.12.575 C_Pcc'm' OG-BNS transformation: (0,0,0;c,-b,a) Operators (BNS): (1|0,0,0) (2x|0,1/2,1/2) (2y|1/2,1/2,1/2) (2z|1/2,0,0) (-1|0,0,0) (mx|0,1/2,1/2) (my|1/2,1/2,1/2) (mz|1/2,0,0) (1|0,1/2,1/2)' (2x|0,0,0)' (2y|1/2,0,0)' (2z|1/2,1/2,1/2)' (-1|0,1/2,1/2)' (mx|0,0,0)' (my|1/2,0,0)' (mz|1/2,1/2,1/2)' Wyckoff positions (BNS): 16m (x,y,z;mx,my,mz) (x,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (x,-y,-z;-mx,my,mz) (-x+1/2,y,-z;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x,-y+1/2,-z+1/2;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) 8l (0,y,z;0,my,mz) (0,-y+1/2,-z+1/2;0,-my,-mz) (1/2,y+1/2,-z+1/2;0,my,-mz) (1/2,-y,z;0,-my,mz) (0,-y,-z;0,my,mz) (0,y+1/2,z+1/2;0,-my,-mz) (1/2,-y+1/2,z+1/2;0,my,-mz) (1/2,y,-z;0,-my,mz) 8k (x,3/4,1/4;mx,0,0) (-x+1/2,1/4,1/4;-mx,0,0) (-x,1/4,3/4;mx,0,0) (x+1/2,3/4,3/4;-mx,0,0) (x,1/4,3/4;-mx,0,0) (-x+1/2,3/4,3/4;mx,0,0) (-x,3/4,1/4;-mx,0,0) (x+1/2,1/4,1/4;mx,0,0) 8j (x,1/2,0;0,my,mz) (x,0,1/2;0,-my,-mz) (-x+1/2,0,1/2;0,my,-mz) (-x+1/2,1/2,0;0,-my,mz) (-x,1/2,0;0,my,mz) (-x,0,1/2;0,-my,-mz) (x+1/2,0,1/2;0,my,-mz) (x+1/2,1/2,0;0,-my,mz) 8i (x,0,0;0,my,mz) (x,1/2,1/2;0,-my,-mz) (-x+1/2,1/2,1/2;0,my,-mz) (-x+1/2,0,0;0,-my,mz) (-x,0,0;0,my,mz) (-x,1/2,1/2;0,-my,-mz) (x+1/2,1/2,1/2;0,my,-mz) (x+1/2,0,0;0,-my,mz) 8h (1/4,y,0;mx,0,mz) (1/4,-y+1/2,1/2;mx,0,-mz) (1/4,y+1/2,1/2;-mx,0,-mz) (1/4,-y,0;-mx,0,mz) (3/4,-y,0;mx,0,mz) (3/4,y+1/2,1/2;mx,0,-mz) (3/4,-y+1/2,1/2;-mx,0,-mz) (3/4,y,0;-mx,0,mz) 8g (1/4,0,z;0,0,mz) (1/4,1/2,-z+1/2;0,0,-mz) (3/4,0,-z;0,0,mz) (3/4,1/2,z+1/2;0,0,-mz) (1/4,1/2,z+1/2;0,0,-mz) (1/4,0,-z;0,0,mz) (3/4,1/2,-z+1/2;0,0,-mz) (3/4,0,z;0,0,mz) 4f (0,1/4,1/4;0,0,0) (1/2,3/4,1/4;0,0,0) (0,3/4,3/4;0,0,0) (1/2,1/4,3/4;0,0,0) 4e (0,3/4,1/4;0,0,0) (1/2,1/4,1/4;0,0,0) (0,1/4,3/4;0,0,0) (1/2,3/4,3/4;0,0,0) 4d (0,1/2,0;0,my,mz) (0,0,1/2;0,-my,-mz) (1/2,0,1/2;0,my,-mz) (1/2,1/2,0;0,-my,mz) 4c (0,0,0;0,my,mz) (0,1/2,1/2;0,-my,-mz) (1/2,1/2,1/2;0,my,-mz) (1/2,0,0;0,-my,mz) 4b (1/4,1/2,0;0,0,mz) (1/4,0,1/2;0,0,-mz) (3/4,1/2,0;0,0,mz) (3/4,0,1/2;0,0,-mz) 4a (1/4,0,0;0,0,mz) (1/4,1/2,1/2;0,0,-mz) (3/4,0,0;0,0,mz) (3/4,1/2,1/2;0,0,-mz) Operators (OG): (1|0,0,0) (2z|1/2,1/2,0) (2y|1/2,1/2,1/2) (2x|0,0,1/2) (-1|0,0,0) (mz|1/2,1/2,0) (my|1/2,1/2,1/2) (mx|0,0,1/2) (1|1/2,1/2,0)' (2z|0,0,0)' (2y|0,0,1/2)' (2x|1/2,1/2,1/2)' (-1|1/2,1/2,0)' (mz|0,0,0)' (my|0,0,1/2)' (mx|1/2,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (0,0,1)+ (0,-1,0)+ (1,0,0)+ 16m (x,y,z;mx,my,mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,-y,-z;mx,my,mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (-x,y,z+1/2;mx,-my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x,-y,z;mx,my,-mz) (-x,y,-z+1/2;mx,-my,mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (x,y,-z;mx,my,-mz) (x,-y,z+1/2;mx,-my,mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) 8l (x,y,0;mx,my,0) (-x+1/2,-y+1/2,0;-mx,-my,0) (-x+1/2,y+1/2,1/2;-mx,my,0) (x,-y,1/2;mx,-my,0) (-x,-y,0;mx,my,0) (x+1/2,y+1/2,0;-mx,-my,0) (x+1/2,-y+1/2,1/2;-mx,my,0) (-x,y,1/2;mx,-my,0) 8k (1/4,1/4,z;0,0,mz) (1/4,3/4,-z+1/2;0,0,-mz) (-1/4,-1/4,-z;0,0,mz) (3/4,1/4,z+1/2;0,0,-mz) (3/4,3/4,z;0,0,-mz) (-1/4,1/4,-z+1/2;0,0,mz) (1/4,1/4,-z;0,0,-mz) (1/4,-1/4,z+1/2;0,0,mz) 8j (0,1/2,z;mx,my,0) (1/2,0,z;-mx,-my,0) (1/2,1,-z+1/2;-mx,my,0) (0,-1/2,-z+1/2;mx,-my,0) (0,-1/2,-z;mx,my,0) (1/2,1,-z;-mx,-my,0) (1/2,0,z+1/2;-mx,my,0) (0,1/2,z+1/2;mx,-my,0) 8i (0,0,z;mx,my,0) (1/2,1/2,z;-mx,-my,0) (1/2,1/2,-z+1/2;-mx,my,0) (0,0,-z+1/2;mx,-my,0) (0,0,-z;mx,my,0) (1/2,1/2,-z;-mx,-my,0) (1/2,1/2,z+1/2;-mx,my,0) (0,0,z+1/2;mx,-my,0) 8h (0,y,1/4;mx,0,mz) (1/2,-y+1/2,1/4;-mx,0,mz) (1/2,y+1/2,1/4;-mx,0,-mz) (0,-y,1/4;mx,0,-mz) (0,-y,-1/4;mx,0,mz) (1/2,y+1/2,-1/4;-mx,0,mz) (1/2,-y+1/2,3/4;-mx,0,-mz) (0,y,3/4;mx,0,-mz) 8g (x,0,1/4;mx,0,0) (-x+1/2,1/2,1/4;-mx,0,0) (-x,0,-1/4;mx,0,0) (x+1/2,1/2,-1/4;-mx,0,0) (x+1/2,1/2,1/4;-mx,0,0) (-x,0,1/4;mx,0,0) (-x+1/2,1/2,-1/4;-mx,0,0) (x,0,-1/4;mx,0,0) 4f (1/4,3/4,0;0,0,0) (1/4,5/4,1/2;0,0,0) (-1/4,-3/4,0;0,0,0) (3/4,-1/4,1/2;0,0,0) 4e (1/4,1/4,0;0,0,0) (1/4,3/4,1/2;0,0,0) (-1/4,-1/4,0;0,0,0) (3/4,1/4,1/2;0,0,0) 4d (0,1/2,0;mx,my,0) (1/2,0,0;-mx,-my,0) (1/2,1,1/2;-mx,my,0) (0,-1/2,1/2;mx,-my,0) 4c (0,0,0;mx,my,0) (1/2,1/2,0;-mx,-my,0) (1/2,1/2,1/2;-mx,my,0) (0,0,1/2;mx,-my,0) 4b (0,1/2,1/4;mx,0,0) (1/2,0,1/4;-mx,0,0) (0,-1/2,-1/4;mx,0,0) (1/2,1,-1/4;-mx,0,0) 4a (0,0,1/4;mx,0,0) (1/2,1/2,1/4;-mx,0,0) (0,0,-1/4;mx,0,0) (1/2,1/2,-1/4;-mx,0,0) ---------- UNI: 52.318 Pnna.1'_B[Bbmm] BNS: 52.318 P_Bnna OG: 63.17.527 C_Pm'c'm' OG-BNS transformation: (1/4,1/4,0;b,c,a) Operators (BNS): (1|0,0,0) (2x|0,1/2,1/2) (2y|1/2,1/2,1/2) (2z|1/2,0,0) (-1|0,0,0) (mx|0,1/2,1/2) (my|1/2,1/2,1/2) (mz|1/2,0,0) (1|1/2,0,1/2)' (2x|1/2,1/2,0)' (2y|0,1/2,0)' (2z|0,0,1/2)' (-1|1/2,0,1/2)' (mx|1/2,1/2,0)' (my|0,1/2,0)' (mz|0,0,1/2)' Wyckoff positions (BNS): 16h (x,y,z;mx,my,mz) (x,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) (x+1/2,y,z+1/2;-mx,-my,-mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x,y+1/2,-z;mx,-my,mz) (-x,-y,z+1/2;mx,my,-mz) (-x+1/2,-y,-z+1/2;-mx,-my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x,-y+1/2,z;mx,-my,mz) (x,y,-z+1/2;mx,my,-mz) 8g (x,1/4,z;mx,0,mz) (x,1/4,-z+1/2;mx,0,-mz) (-x+1/2,3/4,-z+1/2;-mx,0,-mz) (-x+1/2,3/4,z;-mx,0,mz) (-x,3/4,-z;mx,0,mz) (-x,3/4,z+1/2;mx,0,-mz) (x+1/2,1/4,z+1/2;-mx,0,-mz) (x+1/2,1/4,-z;-mx,0,mz) 8f (x,y,3/4;mx,my,0) (x,-y+1/2,3/4;mx,-my,0) (-x+1/2,y+1/2,3/4;-mx,my,0) (-x+1/2,-y,3/4;-mx,-my,0) (-x,-y,1/4;mx,my,0) (-x,y+1/2,1/4;mx,-my,0) (x+1/2,-y+1/2,1/4;-mx,my,0) (x+1/2,y,1/4;-mx,-my,0) 8e (3/4,0,z;0,0,mz) (3/4,1/2,-z+1/2;0,0,-mz) (1/4,0,-z;0,0,mz) (1/4,1/2,z+1/2;0,0,-mz) (1/4,0,z+1/2;0,0,-mz) (1/4,1/2,-z;0,0,mz) (3/4,0,-z+1/2;0,0,-mz) (3/4,1/2,z;0,0,mz) 8d (0,0,0;mx,my,mz) (0,1/2,1/2;mx,-my,-mz) (1/2,1/2,1/2;-mx,my,-mz) (1/2,0,0;-mx,-my,mz) (1/2,0,1/2;-mx,-my,-mz) (1/2,1/2,0;-mx,my,mz) (0,1/2,0;mx,-my,mz) (0,0,1/2;mx,my,-mz) 4c (x,1/4,3/4;mx,0,0) (-x+1/2,3/4,3/4;-mx,0,0) (-x,3/4,1/4;mx,0,0) (x+1/2,1/4,1/4;-mx,0,0) 4b (1/4,0,3/4;0,0,0) (1/4,1/2,3/4;0,0,0) (3/4,0,1/4;0,0,0) (3/4,1/2,1/4;0,0,0) 4a (3/4,0,3/4;0,0,0) (3/4,1/2,3/4;0,0,0) (1/4,0,1/4;0,0,0) (1/4,1/2,1/4;0,0,0) Operators (OG): (1|0,0,0) (2y|0,0,1/2) (2z|0,0,1/2) (2x|0,0,0) (-1|1/2,1/2,0) (my|1/2,1/2,1/2) (mz|1/2,1/2,1/2) (mx|1/2,1/2,0) (1|1/2,1/2,0)' (2y|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (2x|1/2,1/2,0)' (-1|0,0,0)' (my|0,0,1/2)' (mz|0,0,1/2)' (mx|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (0,1,0)+ (0,0,1)+ (1,0,0)+ 16h (x,y,z;mx,my,mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z+1/2;-mx,-my,mz) (x,-y,-z;mx,-my,-mz) (-x+1/2,-y+1/2,-z;mx,my,mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z+1/2;-mx,-my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x,-y,-z;-mx,-my,-mz) (x,-y,z+1/2;mx,-my,mz) (x,y,-z+1/2;mx,my,-mz) (-x,y,z;-mx,my,mz) 8g (x,y,1/4;mx,my,0) (-x,y,1/4;-mx,my,0) (-x,-y,3/4;-mx,-my,0) (x,-y,-1/4;mx,-my,0) (-x+1/2,-y+1/2,-1/4;mx,my,0) (x+1/2,-y+1/2,3/4;-mx,my,0) (x+1/2,y+1/2,1/4;-mx,-my,0) (-x+1/2,y+1/2,1/4;mx,-my,0) 8f (0,y,z;0,my,mz) (0,y,-z+1/2;0,my,-mz) (0,-y,z+1/2;0,-my,mz) (0,-y,-z;0,-my,-mz) (1/2,-y+1/2,-z;0,my,mz) (1/2,-y+1/2,z+1/2;0,my,-mz) (1/2,y+1/2,-z+1/2;0,-my,mz) (1/2,y+1/2,z;0,-my,-mz) 8e (x,0,0;mx,0,0) (-x,0,1/2;-mx,0,0) (-x+1/2,1/2,0;mx,0,0) (x+1/2,1/2,1/2;-mx,0,0) (x+1/2,1/2,0;-mx,0,0) (-x+1/2,1/2,1/2;mx,0,0) (-x,0,0;-mx,0,0) (x,0,1/2;mx,0,0) 8d (1/4,1/4,0;mx,my,mz) (-1/4,1/4,1/2;-mx,my,-mz) (-1/4,-1/4,1/2;-mx,-my,mz) (1/4,-1/4,0;mx,-my,-mz) (3/4,3/4,0;-mx,-my,-mz) (1/4,3/4,1/2;mx,-my,mz) (1/4,1/4,1/2;mx,my,-mz) (3/4,1/4,0;-mx,my,mz) 4c (0,y,1/4;0,my,0) (0,-y,3/4;0,-my,0) (1/2,-y+1/2,-1/4;0,my,0) (1/2,y+1/2,1/4;0,-my,0) 4b (0,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,0;0,0,0) (1/2,0,1/2;0,0,0) 4a (0,0,0;0,0,0) (0,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) ---------- UNI: 52.319 Pnna.1'_C[Ccca] BNS: 52.319 P_Cnna OG: 68.11.604 C_Pcc'a' OG-BNS transformation: (0,1/2,1/2;a,b,c) Operators (BNS): (1|0,0,0) (2x|0,1/2,1/2) (2y|1/2,1/2,1/2) (2z|1/2,0,0) (-1|0,0,0) (mx|0,1/2,1/2) (my|1/2,1/2,1/2) (mz|1/2,0,0) (1|1/2,1/2,0)' (2x|1/2,0,1/2)' (2y|0,0,1/2)' (2z|0,1/2,0)' (-1|1/2,1/2,0)' (mx|1/2,0,1/2)' (my|0,0,1/2)' (mz|0,1/2,0)' Wyckoff positions (BNS): 16i (x,y,z;mx,my,mz) (x,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x+1/2,-y,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y+1/2,z;mx,my,-mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (x,y+1/2,-z;mx,my,-mz) 8h (1/4,1/2,z;0,0,mz) (1/4,0,-z+1/2;0,0,-mz) (3/4,1/2,-z;0,0,mz) (3/4,0,z+1/2;0,0,-mz) (3/4,0,z;0,0,-mz) (3/4,1/2,-z+1/2;0,0,mz) (1/4,0,-z;0,0,-mz) (1/4,1/2,z+1/2;0,0,mz) 8g (0,3/4,z;mx,my,0) (0,3/4,-z+1/2;mx,-my,0) (1/2,1/4,-z+1/2;-mx,my,0) (1/2,1/4,z;-mx,-my,0) (0,1/4,-z;mx,my,0) (0,1/4,z+1/2;mx,-my,0) (1/2,3/4,z+1/2;-mx,my,0) (1/2,3/4,-z;-mx,-my,0) 8f (0,y,3/4;mx,0,mz) (0,-y+1/2,3/4;mx,0,-mz) (1/2,y+1/2,3/4;-mx,0,-mz) (1/2,-y,3/4;-mx,0,mz) (0,-y,1/4;mx,0,mz) (0,y+1/2,1/4;mx,0,-mz) (1/2,-y+1/2,1/4;-mx,0,-mz) (1/2,y,1/4;-mx,0,mz) 8e (x,3/4,3/4;mx,0,0) (-x+1/2,1/4,3/4;-mx,0,0) (-x,1/4,1/4;mx,0,0) (x+1/2,3/4,1/4;-mx,0,0) (x+1/2,1/4,3/4;-mx,0,0) (-x,3/4,3/4;mx,0,0) (-x+1/2,3/4,1/4;-mx,0,0) (x,1/4,1/4;mx,0,0) 8d (0,1/2,1/2;mx,my,mz) (0,0,0;mx,-my,-mz) (1/2,0,0;-mx,my,-mz) (1/2,1/2,1/2;-mx,-my,mz) (1/2,0,1/2;-mx,-my,-mz) (1/2,1/2,0;-mx,my,mz) (0,1/2,0;mx,-my,mz) (0,0,1/2;mx,my,-mz) 8c (1/4,1/4,1/2;0,0,0) (1/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) (1/4,3/4,1/2;0,0,0) (3/4,3/4,1/2;0,0,0) (3/4,3/4,0;0,0,0) (3/4,1/4,0;0,0,0) (3/4,1/4,1/2;0,0,0) 4b (0,3/4,1/4;mx,0,0) (1/2,1/4,1/4;-mx,0,0) (0,1/4,3/4;mx,0,0) (1/2,3/4,3/4;-mx,0,0) 4a (0,3/4,3/4;mx,0,0) (1/2,1/4,3/4;-mx,0,0) (0,1/4,1/4;mx,0,0) (1/2,3/4,1/4;-mx,0,0) Operators (OG): (1|0,0,0) (2x|0,1/2,1/2) (2y|1/2,1/2,1/2) (2z|1/2,1,0) (-1|1,1,0) (mx|1,1/2,1/2) (my|1/2,1/2,1/2) (mz|1/2,0,0) (1|1/2,1/2,0)' (2x|1/2,1,1/2)' (2y|0,0,1/2)' (2z|0,1/2,0)' (-1|1/2,1/2,0)' (mx|1/2,0,1/2)' (my|1,1,1/2)' (mz|1,1/2,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16i (x,y,z;mx,my,mz) (x,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1,z;-mx,-my,mz) (-x+1,-y+1,-z;mx,my,mz) (-x+1,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x+1/2,-y+1,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y+1/2,z;mx,my,-mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x+1,-y+1,z+1/2;mx,-my,mz) (x+1,y+1/2,-z;mx,my,-mz) 8h (1/4,0,z;0,0,mz) (1/4,1/2,-z+1/2;0,0,-mz) (3/4,1,-z;0,0,mz) (3/4,1/2,z+1/2;0,0,-mz) (3/4,1/2,z;0,0,-mz) (3/4,1,-z+1/2;0,0,mz) (1/4,1/2,-z;0,0,-mz) (1/4,0,z+1/2;0,0,mz) 8g (0,1/4,z;mx,my,0) (0,1/4,-z+1/2;mx,-my,0) (1/2,3/4,-z+1/2;-mx,my,0) (1/2,3/4,z;-mx,-my,0) (1,3/4,-z;mx,my,0) (1,3/4,z+1/2;mx,-my,0) (1/2,1/4,z+1/2;-mx,my,0) (1/2,1/4,-z;-mx,-my,0) 8f (0,y,1/4;mx,0,mz) (0,-y+1/2,1/4;mx,0,-mz) (1/2,y+1/2,1/4;-mx,0,-mz) (1/2,-y+1,1/4;-mx,0,mz) (1,-y+1,-1/4;mx,0,mz) (1,y+1/2,3/4;mx,0,-mz) (1/2,-y+1/2,3/4;-mx,0,-mz) (1/2,y,-1/4;-mx,0,mz) 8e (x,1/4,1/4;mx,0,0) (-x+1/2,3/4,1/4;-mx,0,0) (-x+1,3/4,-1/4;mx,0,0) (x+1/2,1/4,3/4;-mx,0,0) (x+1/2,3/4,1/4;-mx,0,0) (-x,1/4,1/4;mx,0,0) (-x+1/2,1/4,-1/4;-mx,0,0) (x+1,3/4,3/4;mx,0,0) 8d (0,0,0;mx,my,mz) (0,1/2,1/2;mx,-my,-mz) (1/2,1/2,1/2;-mx,my,-mz) (1/2,1,0;-mx,-my,mz) (1/2,1/2,0;-mx,-my,-mz) (1/2,1,1/2;-mx,my,mz) (0,0,1/2;mx,-my,mz) (0,1/2,0;mx,my,-mz) 8c (1/4,3/4,0;0,0,0) (1/4,-1/4,1/2;0,0,0) (1/4,5/4,1/2;0,0,0) (1/4,1/4,0;0,0,0) (3/4,1/4,0;0,0,0) (3/4,5/4,1/2;0,0,0) (3/4,-1/4,1/2;0,0,0) (3/4,3/4,0;0,0,0) 4b (0,1/4,3/4;mx,0,0) (1/2,3/4,-1/4;-mx,0,0) (1,3/4,-3/4;mx,0,0) (1/2,1/4,5/4;-mx,0,0) 4a (0,1/4,1/4;mx,0,0) (1/2,3/4,1/4;-mx,0,0) (1,3/4,-1/4;mx,0,0) (1/2,1/4,3/4;-mx,0,0) ---------- UNI: 52.320 Pnna.1'_I[Immb] BNS: 52.320 P_Inna OG: 74.9.658 I_Pm'm'a OG-BNS transformation: (0,0,0;b,-a,c) Operators (BNS): (1|0,0,0) (2x|0,1/2,1/2) (2y|1/2,1/2,1/2) (2z|1/2,0,0) (-1|0,0,0) (mx|0,1/2,1/2) (my|1/2,1/2,1/2) (mz|1/2,0,0) (1|1/2,1/2,1/2)' (2x|1/2,0,0)' (2y|0,0,0)' (2z|0,1/2,1/2)' (-1|1/2,1/2,1/2)' (mx|1/2,0,0)' (my|0,0,0)' (mz|0,1/2,1/2)' Wyckoff positions (BNS): 16j (x,y,z;mx,my,mz) (x,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x+1/2,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (-x+1/2,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x,y+1/2,-z+1/2;mx,my,-mz) 8i (1/4,y,z;0,my,mz) (1/4,-y+1/2,-z+1/2;0,-my,-mz) (1/4,y+1/2,-z+1/2;0,my,-mz) (1/4,-y,z;0,-my,mz) (3/4,-y,-z;0,my,mz) (3/4,y+1/2,z+1/2;0,-my,-mz) (3/4,-y+1/2,z+1/2;0,my,-mz) (3/4,y,-z;0,-my,mz) 8h (x,0,z;mx,0,mz) (x,1/2,-z+1/2;mx,0,-mz) (-x+1/2,1/2,-z+1/2;-mx,0,-mz) (-x+1/2,0,z;-mx,0,mz) (-x,0,-z;mx,0,mz) (-x,1/2,z+1/2;mx,0,-mz) (x+1/2,1/2,z+1/2;-mx,0,-mz) (x+1/2,0,-z;-mx,0,mz) 8g (x,3/4,1/4;mx,0,0) (-x+1/2,1/4,1/4;-mx,0,0) (-x,1/4,3/4;mx,0,0) (x+1/2,3/4,3/4;-mx,0,0) (x+1/2,1/4,3/4;-mx,0,0) (-x,3/4,3/4;mx,0,0) (-x+1/2,3/4,1/4;-mx,0,0) (x,1/4,1/4;mx,0,0) 8f (0,y,0;mx,0,mz) (0,-y+1/2,1/2;mx,0,-mz) (1/2,y+1/2,1/2;-mx,0,-mz) (1/2,-y,0;-mx,0,mz) (0,-y,0;mx,0,mz) (0,y+1/2,1/2;mx,0,-mz) (1/2,-y+1/2,1/2;-mx,0,-mz) (1/2,y,0;-mx,0,mz) 4e (1/4,0,z;0,0,mz) (1/4,1/2,-z+1/2;0,0,-mz) (3/4,0,-z;0,0,mz) (3/4,1/2,z+1/2;0,0,-mz) 4d (1/4,3/4,3/4;0,0,0) (1/4,1/4,3/4;0,0,0) (3/4,1/4,1/4;0,0,0) (3/4,3/4,1/4;0,0,0) 4c (1/4,3/4,1/4;0,0,0) (1/4,1/4,1/4;0,0,0) (3/4,1/4,3/4;0,0,0) (3/4,3/4,3/4;0,0,0) 4b (0,0,1/2;mx,0,mz) (0,1/2,0;mx,0,-mz) (1/2,1/2,0;-mx,0,-mz) (1/2,0,1/2;-mx,0,mz) 4a (0,0,0;mx,0,mz) (0,1/2,1/2;mx,0,-mz) (1/2,1/2,1/2;-mx,0,-mz) (1/2,0,0;-mx,0,mz) Operators (OG): (1|0,0,0) (2y|1/2,1,1/2) (2x|1/2,1/2,1/2) (2z|0,1/2,0) (-1|0,0,0) (my|1/2,1,1/2) (mx|1/2,1/2,1/2) (mz|0,1/2,0) (1|1/2,1/2,1/2)' (2y|0,1/2,0)' (2x|0,0,0)' (2z|1/2,1,1/2)' (-1|1/2,1/2,1/2)' (my|0,1/2,0)' (mx|0,0,0)' (mz|1/2,1,1/2)' Wyckoff positions (OG): (0,0,0)+ (0,1,0)+ (-1,0,0)+ (0,0,1)+ 16j (x,y,z;mx,my,mz) (-x+1/2,y+1,-z+1/2;-mx,my,-mz) (x+1/2,-y+1/2,-z+1/2;mx,-my,-mz) (-x,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (x+1/2,-y+1,z+1/2;-mx,my,-mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x,y+1/2,-z;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-x,y+1/2,-z;mx,-my,mz) (x,-y,-z;-mx,my,mz) (-x+1/2,-y+1,z+1/2;mx,my,-mz) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (x,-y+1/2,z;mx,-my,mz) (-x,y,z;-mx,my,mz) (x+1/2,y+1,-z+1/2;mx,my,-mz) 8i (x,1/4,z;mx,0,mz) (-x+1/2,5/4,-z+1/2;-mx,0,-mz) (x+1/2,1/4,-z+1/2;mx,0,-mz) (-x,1/4,z;-mx,0,mz) (-x,-1/4,-z;mx,0,mz) (x+1/2,3/4,z+1/2;-mx,0,-mz) (-x+1/2,3/4,z+1/2;mx,0,-mz) (x,3/4,-z;-mx,0,mz) 8h (0,y,z;0,my,mz) (1/2,y+1,-z+1/2;0,my,-mz) (1/2,-y+1/2,-z+1/2;0,-my,-mz) (0,-y+1/2,z;0,-my,mz) (0,-y,-z;0,my,mz) (1/2,-y+1,z+1/2;0,my,-mz) (1/2,y+1/2,z+1/2;0,-my,-mz) (0,y+1/2,-z;0,-my,mz) 8g (1/4,y,1/4;0,my,0) (3/4,-y+1/2,1/4;0,-my,0) (-1/4,-y,-1/4;0,my,0) (1/4,y+1/2,3/4;0,-my,0) (3/4,y+1/2,3/4;0,-my,0) (1/4,-y,-1/4;0,my,0) (1/4,-y+1/2,1/4;0,-my,0) (-1/4,y,1/4;0,my,0) 8f (x,0,0;0,my,mz) (-x+1/2,1,1/2;0,my,-mz) (x+1/2,1/2,1/2;0,-my,-mz) (-x,1/2,0;0,-my,mz) (-x,0,0;0,my,mz) (x+1/2,1,1/2;0,my,-mz) (-x+1/2,1/2,1/2;0,-my,-mz) (x,1/2,0;0,-my,mz) 4e (0,1/4,z;0,0,mz) (1/2,5/4,-z+1/2;0,0,-mz) (0,-1/4,-z;0,0,mz) (1/2,3/4,z+1/2;0,0,-mz) 4d (1/4,1/4,3/4;0,0,0) (3/4,1/4,-1/4;0,0,0) (-1/4,-1/4,-3/4;0,0,0) (1/4,3/4,5/4;0,0,0) 4c (1/4,1/4,1/4;0,0,0) (3/4,1/4,1/4;0,0,0) (-1/4,-1/4,-1/4;0,0,0) (1/4,3/4,3/4;0,0,0) 4b (0,0,1/2;0,my,mz) (1/2,1,0;0,my,-mz) (1/2,1/2,0;0,-my,-mz) (0,1/2,1/2;0,-my,mz) 4a (0,0,0;0,my,mz) (1/2,1,1/2;0,my,-mz) (1/2,1/2,1/2;0,-my,-mz) (0,1/2,0;0,-my,mz) ---------- UNI: 53.321 Pmna.1 BNS: 53.321 Pmna OG: 53.1.415 Pmna Operators: (1|0,0,0) (2x|0,0,0) (2y|1/2,0,1/2) (2z|1/2,0,1/2) (-1|0,0,0) (mx|0,0,0) (my|1/2,0,1/2) (mz|1/2,0,1/2) Wyckoff positions: 8i (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y,-z+1/2;-mx,-my,mz) 4h (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (1/2,y,-z+1/2;-mx,0,0) (1/2,-y,z+1/2;-mx,0,0) 4g (1/4,y,1/4;0,my,0) (1/4,-y,3/4;0,-my,0) (3/4,-y,3/4;0,my,0) (3/4,y,1/4;0,-my,0) 4f (x,1/2,0;mx,0,0) (-x+1/2,1/2,1/2;-mx,0,0) (-x,1/2,0;mx,0,0) (x+1/2,1/2,1/2;-mx,0,0) 4e (x,0,0;mx,0,0) (-x+1/2,0,1/2;-mx,0,0) (-x,0,0;mx,0,0) (x+1/2,0,1/2;-mx,0,0) 2d (0,1/2,0;mx,0,0) (1/2,1/2,1/2;-mx,0,0) 2c (1/2,1/2,0;mx,0,0) (0,1/2,1/2;-mx,0,0) 2b (1/2,0,0;mx,0,0) (0,0,1/2;-mx,0,0) 2a (0,0,0;mx,0,0) (1/2,0,1/2;-mx,0,0) ---------- UNI: 53.322 Pmna.1' BNS: 53.322 Pmna1' OG: 53.2.416 Pmna1' Operators: (1|0,0,0) (2x|0,0,0) (2y|1/2,0,1/2) (2z|1/2,0,1/2) (-1|0,0,0) (mx|0,0,0) (my|1/2,0,1/2) (mz|1/2,0,1/2) (1|0,0,0)' (2x|0,0,0)' (2y|1/2,0,1/2)' (2z|1/2,0,1/2)' (-1|0,0,0)' (mx|0,0,0)' (my|1/2,0,1/2)' (mz|1/2,0,1/2)' Wyckoff positions: 8i (x,y,z;0,0,0) (x,-y,-z;0,0,0) (-x+1/2,y,-z+1/2;0,0,0) (-x+1/2,-y,z+1/2;0,0,0) (-x,-y,-z;0,0,0) (-x,y,z;0,0,0) (x+1/2,-y,z+1/2;0,0,0) (x+1/2,y,-z+1/2;0,0,0) 4h (0,y,z;0,0,0) (0,-y,-z;0,0,0) (1/2,y,-z+1/2;0,0,0) (1/2,-y,z+1/2;0,0,0) 4g (1/4,y,1/4;0,0,0) (1/4,-y,3/4;0,0,0) (3/4,-y,3/4;0,0,0) (3/4,y,1/4;0,0,0) 4f (x,1/2,0;0,0,0) (-x+1/2,1/2,1/2;0,0,0) (-x,1/2,0;0,0,0) (x+1/2,1/2,1/2;0,0,0) 4e (x,0,0;0,0,0) (-x+1/2,0,1/2;0,0,0) (-x,0,0;0,0,0) (x+1/2,0,1/2;0,0,0) 2d (0,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 2c (1/2,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) 2b (1/2,0,0;0,0,0) (0,0,1/2;0,0,0) 2a (0,0,0;0,0,0) (1/2,0,1/2;0,0,0) ---------- UNI: 53.323 Pm'na BNS: 53.323 Pm'na OG: 53.3.417 Pm'na Operators: (1|0,0,0) (2x|0,0,0) (2y|1/2,0,1/2)' (2z|1/2,0,1/2)' (-1|0,0,0)' (mx|0,0,0)' (my|1/2,0,1/2) (mz|1/2,0,1/2) Wyckoff positions: 8i (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y,-z+1/2;-mx,-my,mz) 4h (0,y,z;0,my,mz) (0,-y,-z;0,-my,-mz) (1/2,y,-z+1/2;0,-my,mz) (1/2,-y,z+1/2;0,my,-mz) 4g (1/4,y,1/4;mx,0,mz) (1/4,-y,3/4;mx,0,-mz) (3/4,-y,3/4;-mx,0,-mz) (3/4,y,1/4;-mx,0,mz) 4f (x,1/2,0;mx,0,0) (-x+1/2,1/2,1/2;mx,0,0) (-x,1/2,0;-mx,0,0) (x+1/2,1/2,1/2;-mx,0,0) 4e (x,0,0;mx,0,0) (-x+1/2,0,1/2;mx,0,0) (-x,0,0;-mx,0,0) (x+1/2,0,1/2;-mx,0,0) 2d (0,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 2c (1/2,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) 2b (1/2,0,0;0,0,0) (0,0,1/2;0,0,0) 2a (0,0,0;0,0,0) (1/2,0,1/2;0,0,0) ---------- UNI: 53.324 Pmn'a BNS: 53.324 Pmn'a OG: 53.4.418 Pmn'a Operators: (1|0,0,0) (2x|0,0,0)' (2y|1/2,0,1/2) (2z|1/2,0,1/2)' (-1|0,0,0)' (mx|0,0,0) (my|1/2,0,1/2)' (mz|1/2,0,1/2) Wyckoff positions: 8i (x,y,z;mx,my,mz) (x,-y,-z;-mx,my,mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z;mx,-my,-mz) (x+1/2,-y,z+1/2;mx,-my,mz) (x+1/2,y,-z+1/2;-mx,-my,mz) 4h (0,y,z;mx,0,0) (0,-y,-z;-mx,0,0) (1/2,y,-z+1/2;-mx,0,0) (1/2,-y,z+1/2;mx,0,0) 4g (1/4,y,1/4;0,my,0) (1/4,-y,3/4;0,my,0) (3/4,-y,3/4;0,-my,0) (3/4,y,1/4;0,-my,0) 4f (x,1/2,0;0,my,mz) (-x+1/2,1/2,1/2;0,my,-mz) (-x,1/2,0;0,-my,-mz) (x+1/2,1/2,1/2;0,-my,mz) 4e (x,0,0;0,my,mz) (-x+1/2,0,1/2;0,my,-mz) (-x,0,0;0,-my,-mz) (x+1/2,0,1/2;0,-my,mz) 2d (0,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 2c (1/2,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) 2b (1/2,0,0;0,0,0) (0,0,1/2;0,0,0) 2a (0,0,0;0,0,0) (1/2,0,1/2;0,0,0) ---------- UNI: 53.325 Pmna' BNS: 53.325 Pmna' OG: 53.5.419 Pmna' Operators: (1|0,0,0) (2x|0,0,0)' (2y|1/2,0,1/2)' (2z|1/2,0,1/2) (-1|0,0,0)' (mx|0,0,0) (my|1/2,0,1/2) (mz|1/2,0,1/2)' Wyckoff positions: 8i (x,y,z;mx,my,mz) (x,-y,-z;-mx,my,mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y,-z+1/2;mx,my,-mz) 4h (0,y,z;mx,0,0) (0,-y,-z;-mx,0,0) (1/2,y,-z+1/2;mx,0,0) (1/2,-y,z+1/2;-mx,0,0) 4g (1/4,y,1/4;mx,0,mz) (1/4,-y,3/4;-mx,0,mz) (3/4,-y,3/4;-mx,0,-mz) (3/4,y,1/4;mx,0,-mz) 4f (x,1/2,0;0,my,mz) (-x+1/2,1/2,1/2;0,-my,mz) (-x,1/2,0;0,-my,-mz) (x+1/2,1/2,1/2;0,my,-mz) 4e (x,0,0;0,my,mz) (-x+1/2,0,1/2;0,-my,mz) (-x,0,0;0,-my,-mz) (x+1/2,0,1/2;0,my,-mz) 2d (0,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 2c (1/2,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) 2b (1/2,0,0;0,0,0) (0,0,1/2;0,0,0) 2a (0,0,0;0,0,0) (1/2,0,1/2;0,0,0) ---------- UNI: 53.326 Pm'n'a BNS: 53.326 Pm'n'a OG: 53.6.420 Pm'n'a Operators: (1|0,0,0) (2x|0,0,0)' (2y|1/2,0,1/2)' (2z|1/2,0,1/2) (-1|0,0,0) (mx|0,0,0)' (my|1/2,0,1/2)' (mz|1/2,0,1/2) Wyckoff positions: 8i (x,y,z;mx,my,mz) (x,-y,-z;-mx,my,mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) (x+1/2,y,-z+1/2;-mx,-my,mz) 4h (0,y,z;0,my,mz) (0,-y,-z;0,my,mz) (1/2,y,-z+1/2;0,-my,mz) (1/2,-y,z+1/2;0,-my,mz) 4g (1/4,y,1/4;mx,0,mz) (1/4,-y,3/4;-mx,0,mz) (3/4,-y,3/4;mx,0,mz) (3/4,y,1/4;-mx,0,mz) 4f (x,1/2,0;0,my,mz) (-x+1/2,1/2,1/2;0,-my,mz) (-x,1/2,0;0,my,mz) (x+1/2,1/2,1/2;0,-my,mz) 4e (x,0,0;0,my,mz) (-x+1/2,0,1/2;0,-my,mz) (-x,0,0;0,my,mz) (x+1/2,0,1/2;0,-my,mz) 2d (0,1/2,0;0,my,mz) (1/2,1/2,1/2;0,-my,mz) 2c (1/2,1/2,0;0,my,mz) (0,1/2,1/2;0,-my,mz) 2b (1/2,0,0;0,my,mz) (0,0,1/2;0,-my,mz) 2a (0,0,0;0,my,mz) (1/2,0,1/2;0,-my,mz) ---------- UNI: 53.327 Pmn'a' BNS: 53.327 Pmn'a' OG: 53.7.421 Pmn'a' Operators: (1|0,0,0) (2x|0,0,0) (2y|1/2,0,1/2)' (2z|1/2,0,1/2)' (-1|0,0,0) (mx|0,0,0) (my|1/2,0,1/2)' (mz|1/2,0,1/2)' Wyckoff positions: 8i (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x+1/2,-y,z+1/2;mx,-my,mz) (x+1/2,y,-z+1/2;mx,my,-mz) 4h (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (1/2,y,-z+1/2;mx,0,0) (1/2,-y,z+1/2;mx,0,0) 4g (1/4,y,1/4;mx,0,mz) (1/4,-y,3/4;mx,0,-mz) (3/4,-y,3/4;mx,0,mz) (3/4,y,1/4;mx,0,-mz) 4f (x,1/2,0;mx,0,0) (-x+1/2,1/2,1/2;mx,0,0) (-x,1/2,0;mx,0,0) (x+1/2,1/2,1/2;mx,0,0) 4e (x,0,0;mx,0,0) (-x+1/2,0,1/2;mx,0,0) (-x,0,0;mx,0,0) (x+1/2,0,1/2;mx,0,0) 2d (0,1/2,0;mx,0,0) (1/2,1/2,1/2;mx,0,0) 2c (1/2,1/2,0;mx,0,0) (0,1/2,1/2;mx,0,0) 2b (1/2,0,0;mx,0,0) (0,0,1/2;mx,0,0) 2a (0,0,0;mx,0,0) (1/2,0,1/2;mx,0,0) ---------- UNI: 53.328 Pm'na' BNS: 53.328 Pm'na' OG: 53.8.422 Pm'na' Operators: (1|0,0,0) (2x|0,0,0)' (2y|1/2,0,1/2) (2z|1/2,0,1/2)' (-1|0,0,0) (mx|0,0,0)' (my|1/2,0,1/2) (mz|1/2,0,1/2)' Wyckoff positions: 8i (x,y,z;mx,my,mz) (x,-y,-z;-mx,my,mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x,-y,-z;mx,my,mz) (-x,y,z;-mx,my,mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y,-z+1/2;mx,my,-mz) 4h (0,y,z;0,my,mz) (0,-y,-z;0,my,mz) (1/2,y,-z+1/2;0,my,-mz) (1/2,-y,z+1/2;0,my,-mz) 4g (1/4,y,1/4;0,my,0) (1/4,-y,3/4;0,my,0) (3/4,-y,3/4;0,my,0) (3/4,y,1/4;0,my,0) 4f (x,1/2,0;0,my,mz) (-x+1/2,1/2,1/2;0,my,-mz) (-x,1/2,0;0,my,mz) (x+1/2,1/2,1/2;0,my,-mz) 4e (x,0,0;0,my,mz) (-x+1/2,0,1/2;0,my,-mz) (-x,0,0;0,my,mz) (x+1/2,0,1/2;0,my,-mz) 2d (0,1/2,0;0,my,mz) (1/2,1/2,1/2;0,my,-mz) 2c (1/2,1/2,0;0,my,mz) (0,1/2,1/2;0,my,-mz) 2b (1/2,0,0;0,my,mz) (0,0,1/2;0,my,-mz) 2a (0,0,0;0,my,mz) (1/2,0,1/2;0,my,-mz) ---------- UNI: 53.329 Pm'n'a' BNS: 53.329 Pm'n'a' OG: 53.9.423 Pm'n'a' Operators: (1|0,0,0) (2x|0,0,0) (2y|1/2,0,1/2) (2z|1/2,0,1/2) (-1|0,0,0)' (mx|0,0,0)' (my|1/2,0,1/2)' (mz|1/2,0,1/2)' Wyckoff positions: 8i (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) (x+1/2,y,-z+1/2;mx,my,-mz) 4h (0,y,z;0,my,mz) (0,-y,-z;0,-my,-mz) (1/2,y,-z+1/2;0,my,-mz) (1/2,-y,z+1/2;0,-my,mz) 4g (1/4,y,1/4;0,my,0) (1/4,-y,3/4;0,-my,0) (3/4,-y,3/4;0,-my,0) (3/4,y,1/4;0,my,0) 4f (x,1/2,0;mx,0,0) (-x+1/2,1/2,1/2;-mx,0,0) (-x,1/2,0;-mx,0,0) (x+1/2,1/2,1/2;mx,0,0) 4e (x,0,0;mx,0,0) (-x+1/2,0,1/2;-mx,0,0) (-x,0,0;-mx,0,0) (x+1/2,0,1/2;mx,0,0) 2d (0,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 2c (1/2,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) 2b (1/2,0,0;0,0,0) (0,0,1/2;0,0,0) 2a (0,0,0;0,0,0) (1/2,0,1/2;0,0,0) ---------- UNI: 53.330 Pmna.1'_a[Pmcm] BNS: 53.330 P_amna OG: 51.15.401 P_2bm'ma' OG-BNS transformation: (0,0,0;2b,c,a) Operators (BNS): (1|0,0,0) (2x|0,0,0) (2y|1/2,0,1/2) (2z|1/2,0,1/2) (-1|0,0,0) (mx|0,0,0) (my|1/2,0,1/2) (mz|1/2,0,1/2) (1|1/2,0,0)' (2x|1/2,0,0)' (2y|0,0,1/2)' (2z|0,0,1/2)' (-1|1/2,0,0)' (mx|1/2,0,0)' (my|0,0,1/2)' (mz|0,0,1/2)' Wyckoff positions (BNS): 16l (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y,-z+1/2;-mx,-my,mz) (x+1/2,y,z;-mx,-my,-mz) (x+1/2,-y,-z;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,z+1/2;mx,my,-mz) (-x+1/2,-y,-z;-mx,-my,-mz) (-x+1/2,y,z;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (x,y,-z+1/2;mx,my,-mz) 8k (x,y,1/4;mx,my,0) (x,-y,3/4;mx,-my,0) (-x+1/2,y,1/4;-mx,my,0) (-x+1/2,-y,3/4;-mx,-my,0) (-x,-y,3/4;mx,my,0) (-x,y,1/4;mx,-my,0) (x+1/2,-y,3/4;-mx,my,0) (x+1/2,y,1/4;-mx,-my,0) 8j (1/4,y,z;0,my,mz) (1/4,-y,-z;0,-my,-mz) (1/4,y,-z+1/2;0,my,-mz) (1/4,-y,z+1/2;0,-my,mz) (3/4,-y,-z;0,my,mz) (3/4,y,z;0,-my,-mz) (3/4,-y,z+1/2;0,my,-mz) (3/4,y,-z+1/2;0,-my,mz) 8i (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (1/2,y,-z+1/2;-mx,0,0) (1/2,-y,z+1/2;-mx,0,0) (1/2,y,z;-mx,0,0) (1/2,-y,-z;-mx,0,0) (0,y,-z+1/2;mx,0,0) (0,-y,z+1/2;mx,0,0) 8h (x,1/2,0;mx,0,0) (-x+1/2,1/2,1/2;-mx,0,0) (-x,1/2,0;mx,0,0) (x+1/2,1/2,1/2;-mx,0,0) (x+1/2,1/2,0;-mx,0,0) (-x,1/2,1/2;mx,0,0) (-x+1/2,1/2,0;-mx,0,0) (x,1/2,1/2;mx,0,0) 8g (x,0,0;mx,0,0) (-x+1/2,0,1/2;-mx,0,0) (-x,0,0;mx,0,0) (x+1/2,0,1/2;-mx,0,0) (x+1/2,0,0;-mx,0,0) (-x,0,1/2;mx,0,0) (-x+1/2,0,0;-mx,0,0) (x,0,1/2;mx,0,0) 4f (1/4,y,1/4;0,my,0) (1/4,-y,3/4;0,-my,0) (3/4,-y,3/4;0,my,0) (3/4,y,1/4;0,-my,0) 4e (0,y,1/4;mx,0,0) (0,-y,3/4;mx,0,0) (1/2,y,1/4;-mx,0,0) (1/2,-y,3/4;-mx,0,0) 4d (1/4,1/2,0;0,0,0) (1/4,1/2,1/2;0,0,0) (3/4,1/2,0;0,0,0) (3/4,1/2,1/2;0,0,0) 4c (0,1/2,0;mx,0,0) (1/2,1/2,1/2;-mx,0,0) (1/2,1/2,0;-mx,0,0) (0,1/2,1/2;mx,0,0) 4b (1/4,0,0;0,0,0) (1/4,0,1/2;0,0,0) (3/4,0,0;0,0,0) (3/4,0,1/2;0,0,0) 4a (0,0,0;mx,0,0) (1/2,0,1/2;-mx,0,0) (1/2,0,0;-mx,0,0) (0,0,1/2;mx,0,0) Operators (OG): (1|0,0,0) (2y|0,0,0) (2z|1/2,1,0) (2x|1/2,1,0) (-1|0,0,0) (my|0,0,0) (mz|1/2,1,0) (mx|1/2,1,0) (1|0,1,0)' (2y|0,1,0)' (2z|1/2,0,0)' (2x|1/2,0,0)' (-1|0,1,0)' (my|0,1,0)' (mz|1/2,0,0)' (mx|1/2,0,0)' Wyckoff positions (OG): (0,0,0)+ (0,2,0)+ (0,0,1)+ (1,0,0)+ 16l (x,y,z;mx,my,mz) (-x,y,-z;-mx,my,-mz) (-x+1/2,-y+1,z;-mx,-my,mz) (x+1/2,-y+1,-z;mx,-my,-mz) (-x,-y,-z;mx,my,mz) (x,-y,z;-mx,my,-mz) (x+1/2,y+1,-z;-mx,-my,mz) (-x+1/2,y+1,z;mx,-my,-mz) (x,y+1,z;-mx,-my,-mz) (-x,y+1,-z;mx,-my,mz) (-x+1/2,-y,z;mx,my,-mz) (x+1/2,-y,-z;-mx,my,mz) (-x,-y+1,-z;-mx,-my,-mz) (x,-y+1,z;mx,-my,mz) (x+1/2,y,-z;mx,my,-mz) (-x+1/2,y,z;-mx,my,mz) 8k (1/4,y,z;0,my,mz) (-1/4,y,-z;0,my,-mz) (1/4,-y+1,z;0,-my,mz) (3/4,-y+1,-z;0,-my,-mz) (-1/4,-y,-z;0,my,mz) (1/4,-y,z;0,my,-mz) (3/4,y+1,-z;0,-my,mz) (1/4,y+1,z;0,-my,-mz) 8j (x,1/2,z;mx,0,mz) (-x,1/2,-z;-mx,0,-mz) (-x+1/2,1/2,z;-mx,0,mz) (x+1/2,1/2,-z;mx,0,-mz) (-x,-1/2,-z;mx,0,mz) (x,-1/2,z;-mx,0,-mz) (x+1/2,3/2,-z;-mx,0,mz) (-x+1/2,3/2,z;mx,0,-mz) 8i (x,0,z;0,my,0) (-x,0,-z;0,my,0) (-x+1/2,1,z;0,-my,0) (x+1/2,1,-z;0,-my,0) (x,1,z;0,-my,0) (-x,1,-z;0,-my,0) (-x+1/2,0,z;0,my,0) (x+1/2,0,-z;0,my,0) 8h (0,y,1/2;0,my,0) (1/2,-y+1,1/2;0,-my,0) (0,-y,-1/2;0,my,0) (1/2,y+1,-1/2;0,-my,0) (0,y+1,1/2;0,-my,0) (1/2,-y,1/2;0,my,0) (0,-y+1,-1/2;0,-my,0) (1/2,y,-1/2;0,my,0) 8g (0,y,0;0,my,0) (1/2,-y+1,0;0,-my,0) (0,-y,0;0,my,0) (1/2,y+1,0;0,-my,0) (0,y+1,0;0,-my,0) (1/2,-y,0;0,my,0) (0,-y+1,0;0,-my,0) (1/2,y,0;0,my,0) 4f (1/4,1/2,z;0,0,mz) (-1/4,1/2,-z;0,0,-mz) (-1/4,-1/2,-z;0,0,mz) (1/4,-1/2,z;0,0,-mz) 4e (1/4,0,z;0,my,0) (-1/4,0,-z;0,my,0) (1/4,1,z;0,-my,0) (3/4,1,-z;0,-my,0) 4d (0,1/2,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) (0,-1/2,-1/2;0,0,0) (1/2,3/2,-1/2;0,0,0) 4c (0,0,1/2;0,my,0) (1/2,1,1/2;0,-my,0) (0,1,1/2;0,-my,0) (1/2,0,1/2;0,my,0) 4b (0,1/2,0;0,0,0) (1/2,1/2,0;0,0,0) (0,-1/2,0;0,0,0) (1/2,3/2,0;0,0,0) 4a (0,0,0;0,my,0) (1/2,1,0;0,-my,0) (0,1,0;0,-my,0) (1/2,0,0;0,my,0) ---------- UNI: 53.331 Pmna.1'_b[Pmna] BNS: 53.331 P_bmna OG: 53.10.424 P_2bmna OG-BNS transformation: (0,0,0;a,2b,c) Operators (BNS): (1|0,0,0) (2x|0,0,0) (2y|1/2,0,1/2) (2z|1/2,0,1/2) (-1|0,0,0) (mx|0,0,0) (my|1/2,0,1/2) (mz|1/2,0,1/2) (1|0,1/2,0)' (2x|0,1/2,0)' (2y|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (-1|0,1/2,0)' (mx|0,1/2,0)' (my|1/2,1/2,1/2)' (mz|1/2,1/2,1/2)' Wyckoff positions (BNS): 16i (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y,-z+1/2;-mx,-my,mz) (x,y+1/2,z;-mx,-my,-mz) (x,-y+1/2,-z;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x,-y+1/2,-z;-mx,-my,-mz) (-x,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) 8h (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (1/2,y,-z+1/2;-mx,0,0) (1/2,-y,z+1/2;-mx,0,0) (0,y+1/2,z;-mx,0,0) (0,-y+1/2,-z;-mx,0,0) (1/2,y+1/2,-z+1/2;mx,0,0) (1/2,-y+1/2,z+1/2;mx,0,0) 8g (1/4,y,1/4;0,my,0) (1/4,-y,3/4;0,-my,0) (3/4,-y,3/4;0,my,0) (3/4,y,1/4;0,-my,0) (1/4,y+1/2,1/4;0,-my,0) (1/4,-y+1/2,3/4;0,my,0) (3/4,-y+1/2,3/4;0,-my,0) (3/4,y+1/2,1/4;0,my,0) 8f (x,1/4,0;0,my,mz) (x,3/4,0;0,-my,-mz) (-x+1/2,1/4,1/2;0,my,-mz) (-x+1/2,3/4,1/2;0,-my,mz) (-x,3/4,0;0,my,mz) (-x,1/4,0;0,-my,-mz) (x+1/2,3/4,1/2;0,my,-mz) (x+1/2,1/4,1/2;0,-my,mz) 8e (x,0,0;mx,0,0) (-x+1/2,0,1/2;-mx,0,0) (-x,0,0;mx,0,0) (x+1/2,0,1/2;-mx,0,0) (x,1/2,0;-mx,0,0) (-x+1/2,1/2,1/2;mx,0,0) (-x,1/2,0;-mx,0,0) (x+1/2,1/2,1/2;mx,0,0) 4d (0,1/4,0;0,0,0) (0,3/4,0;0,0,0) (1/2,1/4,1/2;0,0,0) (1/2,3/4,1/2;0,0,0) 4c (1/2,1/4,0;0,0,0) (1/2,3/4,0;0,0,0) (0,1/4,1/2;0,0,0) (0,3/4,1/2;0,0,0) 4b (1/2,0,0;mx,0,0) (0,0,1/2;-mx,0,0) (1/2,1/2,0;-mx,0,0) (0,1/2,1/2;mx,0,0) 4a (0,0,0;mx,0,0) (1/2,0,1/2;-mx,0,0) (0,1/2,0;-mx,0,0) (1/2,1/2,1/2;mx,0,0) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|1/2,0,1/2) (2z|1/2,0,1/2) (-1|0,0,0) (mx|0,0,0) (my|1/2,0,1/2) (mz|1/2,0,1/2) (1|0,1,0)' (2x|0,1,0)' (2y|1/2,1,1/2)' (2z|1/2,1,1/2)' (-1|0,1,0)' (mx|0,1,0)' (my|1/2,1,1/2)' (mz|1/2,1,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,2,0)+ (0,0,1)+ 16i (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y,-z+1/2;-mx,-my,mz) (x,y+1,z;-mx,-my,-mz) (x,-y+1,-z;-mx,my,mz) (-x+1/2,y+1,-z+1/2;mx,-my,mz) (-x+1/2,-y+1,z+1/2;mx,my,-mz) (-x,-y+1,-z;-mx,-my,-mz) (-x,y+1,z;-mx,my,mz) (x+1/2,-y+1,z+1/2;mx,-my,mz) (x+1/2,y+1,-z+1/2;mx,my,-mz) 8h (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (1/2,y,-z+1/2;-mx,0,0) (1/2,-y,z+1/2;-mx,0,0) (0,y+1,z;-mx,0,0) (0,-y+1,-z;-mx,0,0) (1/2,y+1,-z+1/2;mx,0,0) (1/2,-y+1,z+1/2;mx,0,0) 8g (1/4,y,1/4;0,my,0) (1/4,-y,-1/4;0,-my,0) (-1/4,-y,-1/4;0,my,0) (-1/4,y,1/4;0,-my,0) (1/4,y+1,1/4;0,-my,0) (1/4,-y+1,-1/4;0,my,0) (-1/4,-y+1,-1/4;0,-my,0) (-1/4,y+1,1/4;0,my,0) 8f (x,1/2,0;0,my,mz) (x,-1/2,0;0,-my,-mz) (-x+1/2,1/2,1/2;0,my,-mz) (-x+1/2,-1/2,1/2;0,-my,mz) (-x,-1/2,0;0,my,mz) (-x,1/2,0;0,-my,-mz) (x+1/2,-1/2,1/2;0,my,-mz) (x+1/2,1/2,1/2;0,-my,mz) 8e (x,0,0;mx,0,0) (-x+1/2,0,1/2;-mx,0,0) (-x,0,0;mx,0,0) (x+1/2,0,1/2;-mx,0,0) (x,1,0;-mx,0,0) (-x+1/2,1,1/2;mx,0,0) (-x,1,0;-mx,0,0) (x+1/2,1,1/2;mx,0,0) 4d (0,1/2,0;0,0,0) (0,-1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) (1/2,-1/2,1/2;0,0,0) 4c (1/2,1/2,0;0,0,0) (1/2,-1/2,0;0,0,0) (0,1/2,1/2;0,0,0) (0,-1/2,1/2;0,0,0) 4b (1/2,0,0;mx,0,0) (0,0,1/2;-mx,0,0) (1/2,1,0;-mx,0,0) (0,1,1/2;mx,0,0) 4a (0,0,0;mx,0,0) (1/2,0,1/2;-mx,0,0) (0,1,0;-mx,0,0) (1/2,1,1/2;mx,0,0) ---------- UNI: 53.332 Pmna.1'_c[Pmaa] BNS: 53.332 P_cmna OG: 49.11.374 P_2ac'c'm OG-BNS transformation: (0,0,0;c,-b,2a) Operators (BNS): (1|0,0,0) (2x|0,0,0) (2y|1/2,0,1/2) (2z|1/2,0,1/2) (-1|0,0,0) (mx|0,0,0) (my|1/2,0,1/2) (mz|1/2,0,1/2) (1|0,0,1/2)' (2x|0,0,1/2)' (2y|1/2,0,0)' (2z|1/2,0,0)' (-1|0,0,1/2)' (mx|0,0,1/2)' (my|1/2,0,0)' (mz|1/2,0,0)' Wyckoff positions (BNS): 16r (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y,-z+1/2;-mx,-my,mz) (x,y,z+1/2;-mx,-my,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x+1/2,y,-z;mx,-my,mz) (-x+1/2,-y,z;mx,my,-mz) (-x,-y,-z+1/2;-mx,-my,-mz) (-x,y,z+1/2;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) (x+1/2,y,-z;mx,my,-mz) 8q (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (1/2,y,-z+1/2;-mx,0,0) (1/2,-y,z+1/2;-mx,0,0) (0,y,z+1/2;-mx,0,0) (0,-y,-z+1/2;-mx,0,0) (1/2,y,-z;mx,0,0) (1/2,-y,z;mx,0,0) 8p (x,0,1/4;0,my,mz) (x,0,3/4;0,-my,-mz) (-x+1/2,0,1/4;0,my,-mz) (-x+1/2,0,3/4;0,-my,mz) (-x,0,3/4;0,my,mz) (-x,0,1/4;0,-my,-mz) (x+1/2,0,3/4;0,my,-mz) (x+1/2,0,1/4;0,-my,mz) 8o (x,1/2,0;mx,0,0) (-x+1/2,1/2,1/2;-mx,0,0) (-x,1/2,0;mx,0,0) (x+1/2,1/2,1/2;-mx,0,0) (x,1/2,1/2;-mx,0,0) (-x+1/2,1/2,0;mx,0,0) (-x,1/2,1/2;-mx,0,0) (x+1/2,1/2,0;mx,0,0) 8n (x,1/2,1/4;0,my,mz) (x,1/2,3/4;0,-my,-mz) (-x+1/2,1/2,1/4;0,my,-mz) (-x+1/2,1/2,3/4;0,-my,mz) (-x,1/2,3/4;0,my,mz) (-x,1/2,1/4;0,-my,-mz) (x+1/2,1/2,3/4;0,my,-mz) (x+1/2,1/2,1/4;0,-my,mz) 8m (x,0,0;mx,0,0) (-x+1/2,0,1/2;-mx,0,0) (-x,0,0;mx,0,0) (x+1/2,0,1/2;-mx,0,0) (x,0,1/2;-mx,0,0) (-x+1/2,0,0;mx,0,0) (-x,0,1/2;-mx,0,0) (x+1/2,0,0;mx,0,0) 8l (1/4,y,1/4;0,my,0) (1/4,-y,3/4;0,-my,0) (3/4,-y,3/4;0,my,0) (3/4,y,1/4;0,-my,0) (1/4,y,3/4;0,-my,0) (1/4,-y,1/4;0,my,0) (3/4,-y,1/4;0,-my,0) (3/4,y,3/4;0,my,0) 8k (1/4,y,0;mx,0,mz) (1/4,-y,0;mx,0,-mz) (1/4,y,1/2;-mx,0,-mz) (1/4,-y,1/2;-mx,0,mz) (3/4,-y,0;mx,0,mz) (3/4,y,0;mx,0,-mz) (3/4,-y,1/2;-mx,0,-mz) (3/4,y,1/2;-mx,0,mz) 8j (1/4,1/2,z;mx,my,0) (1/4,1/2,-z;mx,-my,0) (1/4,1/2,-z+1/2;-mx,my,0) (1/4,1/2,z+1/2;-mx,-my,0) (3/4,1/2,-z;mx,my,0) (3/4,1/2,z;mx,-my,0) (3/4,1/2,z+1/2;-mx,my,0) (3/4,1/2,-z+1/2;-mx,-my,0) 8i (1/4,0,z;mx,my,0) (1/4,0,-z;mx,-my,0) (1/4,0,-z+1/2;-mx,my,0) (1/4,0,z+1/2;-mx,-my,0) (3/4,0,-z;mx,my,0) (3/4,0,z;mx,-my,0) (3/4,0,z+1/2;-mx,my,0) (3/4,0,-z+1/2;-mx,-my,0) 4h (1/4,1/2,1/4;0,my,0) (1/4,1/2,3/4;0,-my,0) (3/4,1/2,3/4;0,my,0) (3/4,1/2,1/4;0,-my,0) 4g (1/4,1/2,0;mx,0,0) (1/4,1/2,1/2;-mx,0,0) (3/4,1/2,0;mx,0,0) (3/4,1/2,1/2;-mx,0,0) 4f (1/4,0,1/4;0,my,0) (1/4,0,3/4;0,-my,0) (3/4,0,3/4;0,my,0) (3/4,0,1/4;0,-my,0) 4e (1/4,0,0;mx,0,0) (1/4,0,1/2;-mx,0,0) (3/4,0,0;mx,0,0) (3/4,0,1/2;-mx,0,0) 4d (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) (1/2,0,1/4;0,0,0) (1/2,0,3/4;0,0,0) 4c (0,1/2,0;mx,0,0) (1/2,1/2,1/2;-mx,0,0) (0,1/2,1/2;-mx,0,0) (1/2,1/2,0;mx,0,0) 4b (0,1/2,1/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,1/2,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) 4a (0,0,0;mx,0,0) (1/2,0,1/2;-mx,0,0) (0,0,1/2;-mx,0,0) (1/2,0,0;mx,0,0) Operators (OG): (1|0,0,0) (2z|0,0,0) (2y|1,0,1/2) (2x|1,0,1/2) (-1|0,0,0) (mz|0,0,0) (my|1,0,1/2) (mx|1,0,1/2) (1|1,0,0)' (2z|1,0,0)' (2y|0,0,1/2)' (2x|0,0,1/2)' (-1|1,0,0)' (mz|1,0,0)' (my|0,0,1/2)' (mx|0,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (0,0,1)+ (0,-1,0)+ (2,0,0)+ 16r (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1,y,-z+1/2;-mx,my,-mz) (x+1,-y,-z+1/2;mx,-my,-mz) (-x,-y,-z;mx,my,mz) (x,y,-z;-mx,-my,mz) (x+1,-y,z+1/2;-mx,my,-mz) (-x+1,y,z+1/2;mx,-my,-mz) (x+1,y,z;-mx,-my,-mz) (-x+1,-y,z;mx,my,-mz) (-x,y,-z+1/2;mx,-my,mz) (x,-y,-z+1/2;-mx,my,mz) (-x+1,-y,-z;-mx,-my,-mz) (x+1,y,-z;mx,my,-mz) (x,-y,z+1/2;mx,-my,mz) (-x,y,z+1/2;-mx,my,mz) 8q (x,y,0;0,0,mz) (-x,-y,0;0,0,mz) (-x+1,y,1/2;0,0,-mz) (x+1,-y,1/2;0,0,-mz) (x+1,y,0;0,0,-mz) (-x+1,-y,0;0,0,-mz) (-x,y,1/2;0,0,mz) (x,-y,1/2;0,0,mz) 8p (1/2,0,z;mx,my,0) (-1/2,0,z;-mx,-my,0) (1/2,0,-z+1/2;-mx,my,0) (3/2,0,-z+1/2;mx,-my,0) (-1/2,0,-z;mx,my,0) (1/2,0,-z;-mx,-my,0) (3/2,0,z+1/2;-mx,my,0) (1/2,0,z+1/2;mx,-my,0) 8o (0,1/2,z;0,0,mz) (1,1/2,-z+1/2;0,0,-mz) (0,-1/2,-z;0,0,mz) (1,-1/2,z+1/2;0,0,-mz) (1,1/2,z;0,0,-mz) (0,1/2,-z+1/2;0,0,mz) (1,-1/2,-z;0,0,-mz) (0,-1/2,z+1/2;0,0,mz) 8n (1/2,1/2,z;mx,my,0) (-1/2,-1/2,z;-mx,-my,0) (1/2,1/2,-z+1/2;-mx,my,0) (3/2,-1/2,-z+1/2;mx,-my,0) (-1/2,-1/2,-z;mx,my,0) (1/2,1/2,-z;-mx,-my,0) (3/2,-1/2,z+1/2;-mx,my,0) (1/2,1/2,z+1/2;mx,-my,0) 8m (0,0,z;0,0,mz) (1,0,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (1,0,z+1/2;0,0,-mz) (1,0,z;0,0,-mz) (0,0,-z+1/2;0,0,mz) (1,0,-z;0,0,-mz) (0,0,z+1/2;0,0,mz) 8l (1/2,y,1/4;0,my,0) (-1/2,-y,1/4;0,-my,0) (-1/2,-y,-1/4;0,my,0) (1/2,y,-1/4;0,-my,0) (3/2,y,1/4;0,-my,0) (1/2,-y,1/4;0,my,0) (1/2,-y,-1/4;0,-my,0) (3/2,y,-1/4;0,my,0) 8k (0,y,1/4;mx,0,mz) (0,-y,1/4;-mx,0,mz) (1,y,1/4;-mx,0,-mz) (1,-y,1/4;mx,0,-mz) (0,-y,-1/4;mx,0,mz) (0,y,-1/4;-mx,0,mz) (1,-y,3/4;-mx,0,-mz) (1,y,3/4;mx,0,-mz) 8j (x,1/2,1/4;0,my,mz) (-x,-1/2,1/4;0,-my,mz) (-x+1,1/2,1/4;0,my,-mz) (x+1,-1/2,1/4;0,-my,-mz) (-x,-1/2,-1/4;0,my,mz) (x,1/2,-1/4;0,-my,mz) (x+1,-1/2,3/4;0,my,-mz) (-x+1,1/2,3/4;0,-my,-mz) 8i (x,0,1/4;0,my,mz) (-x,0,1/4;0,-my,mz) (-x+1,0,1/4;0,my,-mz) (x+1,0,1/4;0,-my,-mz) (-x,0,-1/4;0,my,mz) (x,0,-1/4;0,-my,mz) (x+1,0,3/4;0,my,-mz) (-x+1,0,3/4;0,-my,-mz) 4h (1/2,1/2,1/4;0,my,0) (-1/2,-1/2,1/4;0,-my,0) (-1/2,-1/2,-1/4;0,my,0) (1/2,1/2,-1/4;0,-my,0) 4g (0,1/2,1/4;0,0,mz) (1,1/2,1/4;0,0,-mz) (0,-1/2,-1/4;0,0,mz) (1,-1/2,3/4;0,0,-mz) 4f (1/2,0,1/4;0,my,0) (-1/2,0,1/4;0,-my,0) (-1/2,0,-1/4;0,my,0) (1/2,0,-1/4;0,-my,0) 4e (0,0,1/4;0,0,mz) (1,0,1/4;0,0,-mz) (0,0,-1/4;0,0,mz) (1,0,3/4;0,0,-mz) 4d (1/2,0,0;0,0,0) (-1/2,0,0;0,0,0) (1/2,0,1/2;0,0,0) (3/2,0,1/2;0,0,0) 4c (0,1/2,0;0,0,mz) (1,1/2,1/2;0,0,-mz) (1,1/2,0;0,0,-mz) (0,1/2,1/2;0,0,mz) 4b (1/2,1/2,0;0,0,0) (-1/2,-1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) (3/2,-1/2,1/2;0,0,0) 4a (0,0,0;0,0,mz) (1,0,1/2;0,0,-mz) (1,0,0;0,0,-mz) (0,0,1/2;0,0,mz) ---------- UNI: 53.333 Pmna.1'_A[Amaa] BNS: 53.333 P_Amna OG: 66.9.572 C_Pc'cm OG-BNS transformation: (1/4,1/4,0;c,a,b) Operators (BNS): (1|0,0,0) (2x|0,0,0) (2y|1/2,0,1/2) (2z|1/2,0,1/2) (-1|0,0,0) (mx|0,0,0) (my|1/2,0,1/2) (mz|1/2,0,1/2) (1|0,1/2,1/2)' (2x|0,1/2,1/2)' (2y|1/2,1/2,0)' (2z|1/2,1/2,0)' (-1|0,1/2,1/2)' (mx|0,1/2,1/2)' (my|1/2,1/2,0)' (mz|1/2,1/2,0)' Wyckoff positions (BNS): 16m (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y,-z+1/2;-mx,-my,mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (x,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z;mx,-my,mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x,-y+1/2,-z+1/2;-mx,-my,-mz) (-x,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z;mx,-my,mz) (x+1/2,y+1/2,-z;mx,my,-mz) 8l (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (1/2,y,-z+1/2;-mx,0,0) (1/2,-y,z+1/2;-mx,0,0) (0,y+1/2,z+1/2;-mx,0,0) (0,-y+1/2,-z+1/2;-mx,0,0) (1/2,y+1/2,-z;mx,0,0) (1/2,-y+1/2,z;mx,0,0) 8k (x,0,0;mx,0,0) (-x+1/2,0,1/2;-mx,0,0) (-x,0,0;mx,0,0) (x+1/2,0,1/2;-mx,0,0) (x,1/2,1/2;-mx,0,0) (-x+1/2,1/2,0;mx,0,0) (-x,1/2,1/2;-mx,0,0) (x+1/2,1/2,0;mx,0,0) 8j (x,3/4,1/4;0,my,mz) (x,1/4,3/4;0,-my,-mz) (-x+1/2,3/4,1/4;0,my,-mz) (-x+1/2,1/4,3/4;0,-my,mz) (-x,1/4,3/4;0,my,mz) (-x,3/4,1/4;0,-my,-mz) (x+1/2,1/4,3/4;0,my,-mz) (x+1/2,3/4,1/4;0,-my,mz) 8i (x,3/4,3/4;0,my,mz) (x,1/4,1/4;0,-my,-mz) (-x+1/2,3/4,3/4;0,my,-mz) (-x+1/2,1/4,1/4;0,-my,mz) (-x,1/4,1/4;0,my,mz) (-x,3/4,3/4;0,-my,-mz) (x+1/2,1/4,1/4;0,my,-mz) (x+1/2,3/4,3/4;0,-my,mz) 8h (1/4,3/4,z;mx,my,0) (1/4,1/4,-z;mx,-my,0) (1/4,3/4,-z+1/2;-mx,my,0) (1/4,1/4,z+1/2;-mx,-my,0) (3/4,1/4,-z;mx,my,0) (3/4,3/4,z;mx,-my,0) (3/4,1/4,z+1/2;-mx,my,0) (3/4,3/4,-z+1/2;-mx,-my,0) 8g (1/4,y,3/4;0,my,0) (1/4,-y,1/4;0,-my,0) (3/4,-y,1/4;0,my,0) (3/4,y,3/4;0,-my,0) (1/4,y+1/2,1/4;0,-my,0) (1/4,-y+1/2,3/4;0,my,0) (3/4,-y+1/2,3/4;0,-my,0) (3/4,y+1/2,1/4;0,my,0) 4f (0,0,1/2;mx,0,0) (1/2,0,0;-mx,0,0) (0,1/2,0;-mx,0,0) (1/2,1/2,1/2;mx,0,0) 4e (0,0,0;mx,0,0) (1/2,0,1/2;-mx,0,0) (0,1/2,1/2;-mx,0,0) (1/2,1/2,0;mx,0,0) 4d (0,3/4,1/4;0,0,0) (0,1/4,3/4;0,0,0) (1/2,3/4,1/4;0,0,0) (1/2,1/4,3/4;0,0,0) 4c (0,3/4,3/4;0,0,0) (0,1/4,1/4;0,0,0) (1/2,3/4,3/4;0,0,0) (1/2,1/4,1/4;0,0,0) 4b (1/4,3/4,1/4;0,my,0) (1/4,1/4,3/4;0,-my,0) (3/4,1/4,3/4;0,my,0) (3/4,3/4,1/4;0,-my,0) 4a (1/4,3/4,3/4;0,my,0) (1/4,1/4,1/4;0,-my,0) (3/4,1/4,1/4;0,my,0) (3/4,3/4,3/4;0,-my,0) Operators (OG): (1|0,0,0) (2z|1/2,1/2,0) (2x|0,0,1/2) (2y|1/2,1/2,1/2) (-1|1/2,1/2,0) (mz|0,0,0) (mx|1/2,1/2,1/2) (my|0,0,1/2) (1|1/2,1/2,0)' (2z|0,0,0)' (2x|1/2,1/2,1/2)' (2y|0,0,1/2)' (-1|0,0,0)' (mz|1/2,1/2,0)' (mx|0,0,1/2)' (my|1/2,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (0,0,1)+ (1,0,0)+ (0,1,0)+ 16m (x,y,z;mx,my,mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,-z;mx,my,mz) (x,y,-z;-mx,-my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x,-y,z;mx,my,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (x+1/2,y+1/2,-z;mx,my,-mz) (-x,y,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) 8l (x,y,0;0,0,mz) (-x+1/2,-y+1/2,0;0,0,mz) (x,-y,1/2;0,0,-mz) (-x+1/2,y+1/2,1/2;0,0,-mz) (x+1/2,y+1/2,0;0,0,-mz) (-x,-y,0;0,0,-mz) (x+1/2,-y+1/2,1/2;0,0,mz) (-x,y,1/2;0,0,mz) 8k (1/4,1/4,z;0,0,mz) (1/4,-1/4,-z+1/2;0,0,-mz) (1/4,1/4,-z;0,0,mz) (1/4,3/4,z+1/2;0,0,-mz) (3/4,3/4,z;0,0,-mz) (3/4,1/4,-z+1/2;0,0,mz) (-1/4,-1/4,-z;0,0,-mz) (-1/4,1/4,z+1/2;0,0,mz) 8j (0,1/2,z;mx,my,0) (1/2,0,z;-mx,-my,0) (0,-1/2,-z+1/2;mx,-my,0) (1/2,1,-z+1/2;-mx,my,0) (1/2,0,-z;mx,my,0) (0,1/2,-z;-mx,-my,0) (1/2,1,z+1/2;mx,-my,0) (0,-1/2,z+1/2;-mx,my,0) 8i (0,0,z;mx,my,0) (1/2,1/2,z;-mx,-my,0) (0,0,-z+1/2;mx,-my,0) (1/2,1/2,-z+1/2;-mx,my,0) (1/2,1/2,-z;mx,my,0) (0,0,-z;-mx,-my,0) (1/2,1/2,z+1/2;mx,-my,0) (0,0,z+1/2;-mx,my,0) 8h (0,y,1/4;mx,0,mz) (1/2,-y+1/2,1/4;-mx,0,mz) (0,-y,1/4;mx,0,-mz) (1/2,y+1/2,1/4;-mx,0,-mz) (1/2,-y+1/2,-1/4;mx,0,mz) (0,y,-1/4;-mx,0,mz) (1/2,y+1/2,3/4;mx,0,-mz) (0,-y,3/4;-mx,0,-mz) 8g (x,0,1/4;mx,0,0) (-x+1/2,1/2,1/4;-mx,0,0) (-x+1/2,1/2,-1/4;mx,0,0) (x,0,-1/4;-mx,0,0) (x+1/2,1/2,1/4;-mx,0,0) (-x,0,1/4;mx,0,0) (-x,0,-1/4;-mx,0,0) (x+1/2,1/2,-1/4;mx,0,0) 4f (1/4,3/4,0;0,0,mz) (1/4,-3/4,1/2;0,0,-mz) (3/4,5/4,0;0,0,-mz) (3/4,-1/4,1/2;0,0,mz) 4e (1/4,1/4,0;0,0,mz) (1/4,-1/4,1/2;0,0,-mz) (3/4,3/4,0;0,0,-mz) (3/4,1/4,1/2;0,0,mz) 4d (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) (0,-1/2,1/2;0,0,0) (1/2,1,1/2;0,0,0) 4c (0,0,0;0,0,0) (1/2,1/2,0;0,0,0) (0,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 4b (0,1/2,1/4;mx,0,0) (1/2,0,1/4;-mx,0,0) (1/2,0,-1/4;mx,0,0) (0,1/2,-1/4;-mx,0,0) 4a (0,0,1/4;mx,0,0) (1/2,1/2,1/4;-mx,0,0) (1/2,1/2,-1/4;mx,0,0) (0,0,-1/4;-mx,0,0) ---------- UNI: 53.334 Pmna.1'_B[Bmmm] BNS: 53.334 P_Bmna OG: 65.16.560 C_Pmm'm' OG-BNS transformation: (0,0,0;a,-c,b) Operators (BNS): (1|0,0,0) (2x|0,0,0) (2y|1/2,0,1/2) (2z|1/2,0,1/2) (-1|0,0,0) (mx|0,0,0) (my|1/2,0,1/2) (mz|1/2,0,1/2) (1|1/2,0,1/2)' (2x|1/2,0,1/2)' (2y|0,0,0)' (2z|0,0,0)' (-1|1/2,0,1/2)' (mx|1/2,0,1/2)' (my|0,0,0)' (mz|0,0,0)' Wyckoff positions (BNS): 16r (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y,-z+1/2;-mx,-my,mz) (x+1/2,y,z+1/2;-mx,-my,-mz) (x+1/2,-y,-z+1/2;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z;mx,my,-mz) (-x+1/2,-y,-z+1/2;-mx,-my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x,-y,z;mx,-my,mz) (x,y,-z;mx,my,-mz) 8q (x,1/2,z;mx,0,mz) (x,1/2,-z;mx,0,-mz) (-x+1/2,1/2,-z+1/2;-mx,0,-mz) (-x+1/2,1/2,z+1/2;-mx,0,mz) (-x,1/2,-z;mx,0,mz) (-x,1/2,z;mx,0,-mz) (x+1/2,1/2,z+1/2;-mx,0,-mz) (x+1/2,1/2,-z+1/2;-mx,0,mz) 8p (x,0,z;mx,0,mz) (x,0,-z;mx,0,-mz) (-x+1/2,0,-z+1/2;-mx,0,-mz) (-x+1/2,0,z+1/2;-mx,0,mz) (-x,0,-z;mx,0,mz) (-x,0,z;mx,0,-mz) (x+1/2,0,z+1/2;-mx,0,-mz) (x+1/2,0,-z+1/2;-mx,0,mz) 8o (x,y,0;mx,my,0) (x,-y,0;mx,-my,0) (-x+1/2,y,1/2;-mx,my,0) (-x+1/2,-y,1/2;-mx,-my,0) (-x,-y,0;mx,my,0) (-x,y,0;mx,-my,0) (x+1/2,-y,1/2;-mx,my,0) (x+1/2,y,1/2;-mx,-my,0) 8n (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (1/2,y,-z+1/2;-mx,0,0) (1/2,-y,z+1/2;-mx,0,0) (1/2,y,z+1/2;-mx,0,0) (1/2,-y,-z+1/2;-mx,0,0) (0,y,-z;mx,0,0) (0,-y,z;mx,0,0) 8m (1/4,y,1/4;0,my,0) (1/4,-y,3/4;0,-my,0) (3/4,-y,3/4;0,my,0) (3/4,y,1/4;0,-my,0) (3/4,y,3/4;0,-my,0) (3/4,-y,1/4;0,my,0) (1/4,-y,1/4;0,-my,0) (1/4,y,3/4;0,my,0) 4l (0,y,1/2;mx,0,0) (0,-y,1/2;mx,0,0) (1/2,y,0;-mx,0,0) (1/2,-y,0;-mx,0,0) 4k (0,y,0;mx,0,0) (0,-y,0;mx,0,0) (1/2,y,1/2;-mx,0,0) (1/2,-y,1/2;-mx,0,0) 4j (0,1/2,z;mx,0,0) (0,1/2,-z;mx,0,0) (1/2,1/2,-z+1/2;-mx,0,0) (1/2,1/2,z+1/2;-mx,0,0) 4i (0,0,z;mx,0,0) (0,0,-z;mx,0,0) (1/2,0,-z+1/2;-mx,0,0) (1/2,0,z+1/2;-mx,0,0) 4h (x,1/2,0;mx,0,0) (-x+1/2,1/2,1/2;-mx,0,0) (-x,1/2,0;mx,0,0) (x+1/2,1/2,1/2;-mx,0,0) 4g (x,0,0;mx,0,0) (-x+1/2,0,1/2;-mx,0,0) (-x,0,0;mx,0,0) (x+1/2,0,1/2;-mx,0,0) 4f (1/4,1/2,1/4;0,0,0) (1/4,1/2,3/4;0,0,0) (3/4,1/2,3/4;0,0,0) (3/4,1/2,1/4;0,0,0) 4e (1/4,0,1/4;0,0,0) (1/4,0,3/4;0,0,0) (3/4,0,3/4;0,0,0) (3/4,0,1/4;0,0,0) 2d (0,1/2,0;mx,0,0) (1/2,1/2,1/2;-mx,0,0) 2c (1/2,1/2,0;mx,0,0) (0,1/2,1/2;-mx,0,0) 2b (1/2,0,0;mx,0,0) (0,0,1/2;-mx,0,0) 2a (0,0,0;mx,0,0) (1/2,0,1/2;-mx,0,0) Operators (OG): (1|0,0,0) (2x|0,0,0) (2z|1/2,1/2,0) (2y|1/2,1/2,0) (-1|0,0,0) (mx|0,0,0) (mz|1/2,1/2,0) (my|1/2,1/2,0) (1|1/2,1/2,0)' (2x|1/2,1/2,0)' (2z|0,0,0)' (2y|0,0,0)' (-1|1/2,1/2,0)' (mx|1/2,1/2,0)' (mz|0,0,0)' (my|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,0,-1)+ (0,1,0)+ 16r (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x+1/2,y+1/2,-z;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x,-y,z;mx,my,-mz) (-x,y,-z;mx,-my,mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x,y,-z;mx,my,-mz) (x,-y,z;mx,-my,mz) 8q (x,y,1/2;mx,my,0) (x,-y,-1/2;mx,-my,0) (-x+1/2,-y+1/2,1/2;-mx,-my,0) (-x+1/2,y+1/2,-1/2;-mx,my,0) (-x,-y,-1/2;mx,my,0) (-x,y,1/2;mx,-my,0) (x+1/2,y+1/2,-1/2;-mx,-my,0) (x+1/2,-y+1/2,1/2;-mx,my,0) 8p (x,y,0;mx,my,0) (x,-y,0;mx,-my,0) (-x+1/2,-y+1/2,0;-mx,-my,0) (-x+1/2,y+1/2,0;-mx,my,0) (-x,-y,0;mx,my,0) (-x,y,0;mx,-my,0) (x+1/2,y+1/2,0;-mx,-my,0) (x+1/2,-y+1/2,0;-mx,my,0) 8o (x,0,z;mx,0,mz) (x,0,-z;mx,0,-mz) (-x+1/2,1/2,z;-mx,0,mz) (-x+1/2,1/2,-z;-mx,0,-mz) (-x,0,-z;mx,0,mz) (-x,0,z;mx,0,-mz) (x+1/2,1/2,-z;-mx,0,mz) (x+1/2,1/2,z;-mx,0,-mz) 8n (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (1/2,-y+1/2,z;-mx,0,0) (1/2,y+1/2,-z;-mx,0,0) (1/2,y+1/2,z;-mx,0,0) (1/2,-y+1/2,-z;-mx,0,0) (0,-y,z;mx,0,0) (0,y,-z;mx,0,0) 8m (1/4,1/4,z;0,0,mz) (1/4,-1/4,-z;0,0,-mz) (-1/4,-1/4,-z;0,0,mz) (-1/4,1/4,z;0,0,-mz) (3/4,3/4,z;0,0,-mz) (3/4,1/4,-z;0,0,mz) (1/4,1/4,-z;0,0,-mz) (1/4,3/4,z;0,0,mz) 4l (0,1/2,z;mx,0,0) (0,-1/2,-z;mx,0,0) (1/2,0,z;-mx,0,0) (1/2,1,-z;-mx,0,0) 4k (0,0,z;mx,0,0) (0,0,-z;mx,0,0) (1/2,1/2,z;-mx,0,0) (1/2,1/2,-z;-mx,0,0) 4j (0,y,1/2;mx,0,0) (0,-y,-1/2;mx,0,0) (1/2,-y+1/2,1/2;-mx,0,0) (1/2,y+1/2,-1/2;-mx,0,0) 4i (0,y,0;mx,0,0) (0,-y,0;mx,0,0) (1/2,-y+1/2,0;-mx,0,0) (1/2,y+1/2,0;-mx,0,0) 4h (x,0,1/2;mx,0,0) (-x+1/2,1/2,1/2;-mx,0,0) (-x,0,-1/2;mx,0,0) (x+1/2,1/2,-1/2;-mx,0,0) 4g (x,0,0;mx,0,0) (-x+1/2,1/2,0;-mx,0,0) (-x,0,0;mx,0,0) (x+1/2,1/2,0;-mx,0,0) 4f (1/4,1/4,1/2;0,0,0) (1/4,-1/4,-1/2;0,0,0) (-1/4,-1/4,-1/2;0,0,0) (-1/4,1/4,1/2;0,0,0) 4e (1/4,1/4,0;0,0,0) (1/4,-1/4,0;0,0,0) (-1/4,-1/4,0;0,0,0) (-1/4,1/4,0;0,0,0) 2d (0,0,1/2;mx,0,0) (1/2,1/2,1/2;-mx,0,0) 2c (1/2,0,1/2;mx,0,0) (0,1/2,1/2;-mx,0,0) 2b (1/2,0,0;mx,0,0) (0,1/2,0;-mx,0,0) 2a (0,0,0;mx,0,0) (1/2,1/2,0;-mx,0,0) ---------- UNI: 53.335 Pmna.1'_C[Cmca] BNS: 53.335 P_Cmna OG: 64.15.542 C_Pmc'a' OG-BNS transformation: (0,0,0;a,b,c) Operators (BNS): (1|0,0,0) (2x|0,0,0) (2y|1/2,0,1/2) (2z|1/2,0,1/2) (-1|0,0,0) (mx|0,0,0) (my|1/2,0,1/2) (mz|1/2,0,1/2) (1|1/2,1/2,0)' (2x|1/2,1/2,0)' (2y|0,1/2,1/2)' (2z|0,1/2,1/2)' (-1|1/2,1/2,0)' (mx|1/2,1/2,0)' (my|0,1/2,1/2)' (mz|0,1/2,1/2)' Wyckoff positions (BNS): 16g (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y,-z+1/2;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x,y+1/2,-z+1/2;mx,-my,mz) (-x,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x,-y+1/2,z+1/2;mx,-my,mz) (x,y+1/2,-z+1/2;mx,my,-mz) 8f (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (1/2,y,-z+1/2;-mx,0,0) (1/2,-y,z+1/2;-mx,0,0) (1/2,y+1/2,z;-mx,0,0) (1/2,-y+1/2,-z;-mx,0,0) (0,y+1/2,-z+1/2;mx,0,0) (0,-y+1/2,z+1/2;mx,0,0) 8e (1/4,y,1/4;0,my,0) (1/4,-y,3/4;0,-my,0) (3/4,-y,3/4;0,my,0) (3/4,y,1/4;0,-my,0) (3/4,y+1/2,1/4;0,-my,0) (3/4,-y+1/2,3/4;0,my,0) (1/4,-y+1/2,3/4;0,-my,0) (1/4,y+1/2,1/4;0,my,0) 8d (x,0,0;mx,0,0) (-x+1/2,0,1/2;-mx,0,0) (-x,0,0;mx,0,0) (x+1/2,0,1/2;-mx,0,0) (x+1/2,1/2,0;-mx,0,0) (-x,1/2,1/2;mx,0,0) (-x+1/2,1/2,0;-mx,0,0) (x,1/2,1/2;mx,0,0) 8c (1/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) (1/4,1/4,1/2;0,0,0) (1/4,3/4,1/2;0,0,0) (3/4,3/4,0;0,0,0) (3/4,1/4,0;0,0,0) (3/4,3/4,1/2;0,0,0) (3/4,1/4,1/2;0,0,0) 4b (1/2,0,0;mx,0,0) (0,0,1/2;-mx,0,0) (0,1/2,0;-mx,0,0) (1/2,1/2,1/2;mx,0,0) 4a (0,0,0;mx,0,0) (1/2,0,1/2;-mx,0,0) (1/2,1/2,0;-mx,0,0) (0,1/2,1/2;mx,0,0) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|1/2,0,1/2) (2z|1/2,0,1/2) (-1|0,0,0) (mx|0,0,0) (my|1/2,0,1/2) (mz|1/2,0,1/2) (1|1/2,1/2,0)' (2x|1/2,1/2,0)' (2y|1,1/2,1/2)' (2z|1,1/2,1/2)' (-1|1/2,1/2,0)' (mx|1/2,1/2,0)' (my|1,1/2,1/2)' (mz|1,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16g (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y,-z+1/2;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x+1,y+1/2,-z+1/2;mx,-my,mz) (-x+1,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1,-y+1/2,z+1/2;mx,-my,mz) (x+1,y+1/2,-z+1/2;mx,my,-mz) 8f (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (1/2,y,-z+1/2;-mx,0,0) (1/2,-y,z+1/2;-mx,0,0) (1/2,y+1/2,z;-mx,0,0) (1/2,-y+1/2,-z;-mx,0,0) (1,y+1/2,-z+1/2;mx,0,0) (1,-y+1/2,z+1/2;mx,0,0) 8e (1/4,y,1/4;0,my,0) (1/4,-y,-1/4;0,-my,0) (-1/4,-y,-1/4;0,my,0) (-1/4,y,1/4;0,-my,0) (3/4,y+1/2,1/4;0,-my,0) (3/4,-y+1/2,-1/4;0,my,0) (1/4,-y+1/2,-1/4;0,-my,0) (1/4,y+1/2,1/4;0,my,0) 8d (x,0,0;mx,0,0) (-x+1/2,0,1/2;-mx,0,0) (-x,0,0;mx,0,0) (x+1/2,0,1/2;-mx,0,0) (x+1/2,1/2,0;-mx,0,0) (-x+1,1/2,1/2;mx,0,0) (-x+1/2,1/2,0;-mx,0,0) (x+1,1/2,1/2;mx,0,0) 8c (1/4,1/4,0;0,0,0) (1/4,-1/4,0;0,0,0) (1/4,1/4,1/2;0,0,0) (1/4,-1/4,1/2;0,0,0) (-1/4,-1/4,0;0,0,0) (-1/4,1/4,0;0,0,0) (3/4,-1/4,1/2;0,0,0) (3/4,1/4,1/2;0,0,0) 4b (1/2,0,0;mx,0,0) (0,0,1/2;-mx,0,0) (1,1/2,0;-mx,0,0) (1/2,1/2,1/2;mx,0,0) 4a (0,0,0;mx,0,0) (1/2,0,1/2;-mx,0,0) (1/2,1/2,0;-mx,0,0) (1,1/2,1/2;mx,0,0) ---------- UNI: 53.336 Pmna.1'_I[Imma] BNS: 53.336 P_Imna OG: 74.10.659 I_Pmm'a' OG-BNS transformation: (0,0,0;a,b,c) Operators (BNS): (1|0,0,0) (2x|0,0,0) (2y|1/2,0,1/2) (2z|1/2,0,1/2) (-1|0,0,0) (mx|0,0,0) (my|1/2,0,1/2) (mz|1/2,0,1/2) (1|1/2,1/2,1/2)' (2x|1/2,1/2,1/2)' (2y|0,1/2,0)' (2z|0,1/2,0)' (-1|1/2,1/2,1/2)' (mx|1/2,1/2,1/2)' (my|0,1/2,0)' (mz|0,1/2,0)' Wyckoff positions (BNS): 16j (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y,-z+1/2;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x,y+1/2,-z;mx,-my,mz) (-x,-y+1/2,z;mx,my,-mz) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x,-y+1/2,z;mx,-my,mz) (x,y+1/2,-z;mx,my,-mz) 8i (x,1/4,z;mx,0,mz) (x,3/4,-z;mx,0,-mz) (-x+1/2,1/4,-z+1/2;-mx,0,-mz) (-x+1/2,3/4,z+1/2;-mx,0,mz) (-x,3/4,-z;mx,0,mz) (-x,1/4,z;mx,0,-mz) (x+1/2,3/4,z+1/2;-mx,0,-mz) (x+1/2,1/4,-z+1/2;-mx,0,mz) 8h (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (1/2,y,-z+1/2;-mx,0,0) (1/2,-y,z+1/2;-mx,0,0) (1/2,y+1/2,z+1/2;-mx,0,0) (1/2,-y+1/2,-z+1/2;-mx,0,0) (0,y+1/2,-z;mx,0,0) (0,-y+1/2,z;mx,0,0) 8g (1/4,y,1/4;0,my,0) (1/4,-y,3/4;0,-my,0) (3/4,-y,3/4;0,my,0) (3/4,y,1/4;0,-my,0) (3/4,y+1/2,3/4;0,-my,0) (3/4,-y+1/2,1/4;0,my,0) (1/4,-y+1/2,1/4;0,-my,0) (1/4,y+1/2,3/4;0,my,0) 8f (x,0,0;mx,0,0) (-x+1/2,0,1/2;-mx,0,0) (-x,0,0;mx,0,0) (x+1/2,0,1/2;-mx,0,0) (x+1/2,1/2,1/2;-mx,0,0) (-x,1/2,0;mx,0,0) (-x+1/2,1/2,1/2;-mx,0,0) (x,1/2,0;mx,0,0) 4e (0,1/4,z;mx,0,0) (0,3/4,-z;mx,0,0) (1/2,1/4,-z+1/2;-mx,0,0) (1/2,3/4,z+1/2;-mx,0,0) 4d (1/4,1/4,3/4;0,0,0) (1/4,3/4,1/4;0,0,0) (3/4,3/4,1/4;0,0,0) (3/4,1/4,3/4;0,0,0) 4c (1/4,1/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) (3/4,3/4,3/4;0,0,0) (3/4,1/4,1/4;0,0,0) 4b (0,0,1/2;mx,0,0) (1/2,0,0;-mx,0,0) (1/2,1/2,0;-mx,0,0) (0,1/2,1/2;mx,0,0) 4a (0,0,0;mx,0,0) (1/2,0,1/2;-mx,0,0) (1/2,1/2,1/2;-mx,0,0) (0,1/2,0;mx,0,0) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|1/2,1,1/2) (2z|1/2,1,1/2) (-1|0,0,0) (mx|0,0,0) (my|1/2,1,1/2) (mz|1/2,1,1/2) (1|1/2,1/2,1/2)' (2x|1/2,1/2,1/2)' (2y|0,1/2,0)' (2z|0,1/2,0)' (-1|1/2,1/2,1/2)' (mx|1/2,1/2,1/2)' (my|0,1/2,0)' (mz|0,1/2,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16j (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x+1/2,y+1,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x+1/2,-y+1,z+1/2;-mx,my,-mz) (x+1/2,y+1,-z+1/2;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x,y+1/2,-z;mx,-my,mz) (-x,-y+1/2,z;mx,my,-mz) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x,-y+1/2,z;mx,-my,mz) (x,y+1/2,-z;mx,my,-mz) 8i (x,1/4,z;mx,0,mz) (x,-1/4,-z;mx,0,-mz) (-x+1/2,5/4,-z+1/2;-mx,0,-mz) (-x+1/2,3/4,z+1/2;-mx,0,mz) (-x,-1/4,-z;mx,0,mz) (-x,1/4,z;mx,0,-mz) (x+1/2,3/4,z+1/2;-mx,0,-mz) (x+1/2,5/4,-z+1/2;-mx,0,mz) 8h (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (1/2,y+1,-z+1/2;-mx,0,0) (1/2,-y+1,z+1/2;-mx,0,0) (1/2,y+1/2,z+1/2;-mx,0,0) (1/2,-y+1/2,-z+1/2;-mx,0,0) (0,y+1/2,-z;mx,0,0) (0,-y+1/2,z;mx,0,0) 8g (1/4,y,1/4;0,my,0) (1/4,-y,-1/4;0,-my,0) (-1/4,-y,-1/4;0,my,0) (-1/4,y,1/4;0,-my,0) (3/4,y+1/2,3/4;0,-my,0) (3/4,-y+1/2,1/4;0,my,0) (1/4,-y+1/2,1/4;0,-my,0) (1/4,y+1/2,3/4;0,my,0) 8f (x,0,0;mx,0,0) (-x+1/2,1,1/2;-mx,0,0) (-x,0,0;mx,0,0) (x+1/2,1,1/2;-mx,0,0) (x+1/2,1/2,1/2;-mx,0,0) (-x,1/2,0;mx,0,0) (-x+1/2,1/2,1/2;-mx,0,0) (x,1/2,0;mx,0,0) 4e (0,1/4,z;mx,0,0) (0,-1/4,-z;mx,0,0) (1/2,5/4,-z+1/2;-mx,0,0) (1/2,3/4,z+1/2;-mx,0,0) 4d (1/4,1/4,3/4;0,0,0) (1/4,-1/4,-3/4;0,0,0) (-1/4,-1/4,-3/4;0,0,0) (-1/4,1/4,3/4;0,0,0) 4c (1/4,1/4,1/4;0,0,0) (1/4,-1/4,-1/4;0,0,0) (-1/4,-1/4,-1/4;0,0,0) (-1/4,1/4,1/4;0,0,0) 4b (0,0,1/2;mx,0,0) (1/2,1,0;-mx,0,0) (1/2,1/2,1;-mx,0,0) (0,1/2,-1/2;mx,0,0) 4a (0,0,0;mx,0,0) (1/2,1,1/2;-mx,0,0) (1/2,1/2,1/2;-mx,0,0) (0,1/2,0;mx,0,0) ---------- UNI: 54.337 Pcca.1 BNS: 54.337 Pcca OG: 54.1.428 Pcca Operators: (1|0,0,0) (2x|1/2,0,1/2) (2y|0,0,1/2) (2z|1/2,0,0) (-1|0,0,0) (mx|1/2,0,1/2) (my|0,0,1/2) (mz|1/2,0,0) Wyckoff positions: 8f (x,y,z;mx,my,mz) (x+1/2,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) 4e (1/4,1/2,z;0,0,mz) (3/4,1/2,-z+1/2;0,0,-mz) (3/4,1/2,-z;0,0,mz) (1/4,1/2,z+1/2;0,0,-mz) 4d (1/4,0,z;0,0,mz) (3/4,0,-z+1/2;0,0,-mz) (3/4,0,-z;0,0,mz) (1/4,0,z+1/2;0,0,-mz) 4c (0,y,1/4;0,my,0) (1/2,-y,1/4;0,-my,0) (0,-y,3/4;0,my,0) (1/2,y,3/4;0,-my,0) 4b (0,1/2,0;mx,my,mz) (1/2,1/2,1/2;mx,-my,-mz) (0,1/2,1/2;-mx,my,-mz) (1/2,1/2,0;-mx,-my,mz) 4a (0,0,0;mx,my,mz) (1/2,0,1/2;mx,-my,-mz) (0,0,1/2;-mx,my,-mz) (1/2,0,0;-mx,-my,mz) ---------- UNI: 54.338 Pcca.1' BNS: 54.338 Pcca1' OG: 54.2.429 Pcca1' Operators: (1|0,0,0) (2x|1/2,0,1/2) (2y|0,0,1/2) (2z|1/2,0,0) (-1|0,0,0) (mx|1/2,0,1/2) (my|0,0,1/2) (mz|1/2,0,0) (1|0,0,0)' (2x|1/2,0,1/2)' (2y|0,0,1/2)' (2z|1/2,0,0)' (-1|0,0,0)' (mx|1/2,0,1/2)' (my|0,0,1/2)' (mz|1/2,0,0)' Wyckoff positions: 8f (x,y,z;0,0,0) (x+1/2,-y,-z+1/2;0,0,0) (-x,y,-z+1/2;0,0,0) (-x+1/2,-y,z;0,0,0) (-x,-y,-z;0,0,0) (-x+1/2,y,z+1/2;0,0,0) (x,-y,z+1/2;0,0,0) (x+1/2,y,-z;0,0,0) 4e (1/4,1/2,z;0,0,0) (3/4,1/2,-z+1/2;0,0,0) (3/4,1/2,-z;0,0,0) (1/4,1/2,z+1/2;0,0,0) 4d (1/4,0,z;0,0,0) (3/4,0,-z+1/2;0,0,0) (3/4,0,-z;0,0,0) (1/4,0,z+1/2;0,0,0) 4c (0,y,1/4;0,0,0) (1/2,-y,1/4;0,0,0) (0,-y,3/4;0,0,0) (1/2,y,3/4;0,0,0) 4b (0,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,0;0,0,0) 4a (0,0,0;0,0,0) (1/2,0,1/2;0,0,0) (0,0,1/2;0,0,0) (1/2,0,0;0,0,0) ---------- UNI: 54.339 Pc'ca BNS: 54.339 Pc'ca OG: 54.3.430 Pc'ca Operators: (1|0,0,0) (2x|1/2,0,1/2) (2y|0,0,1/2)' (2z|1/2,0,0)' (-1|0,0,0)' (mx|1/2,0,1/2)' (my|0,0,1/2) (mz|1/2,0,0) Wyckoff positions: 8f (x,y,z;mx,my,mz) (x+1/2,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;mx,-my,mz) (-x+1/2,-y,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) 4e (1/4,1/2,z;mx,my,0) (3/4,1/2,-z+1/2;mx,-my,0) (3/4,1/2,-z;-mx,-my,0) (1/4,1/2,z+1/2;-mx,my,0) 4d (1/4,0,z;mx,my,0) (3/4,0,-z+1/2;mx,-my,0) (3/4,0,-z;-mx,-my,0) (1/4,0,z+1/2;-mx,my,0) 4c (0,y,1/4;mx,0,mz) (1/2,-y,1/4;mx,0,-mz) (0,-y,3/4;-mx,0,-mz) (1/2,y,3/4;-mx,0,mz) 4b (0,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,0;0,0,0) 4a (0,0,0;0,0,0) (1/2,0,1/2;0,0,0) (0,0,1/2;0,0,0) (1/2,0,0;0,0,0) ---------- UNI: 54.340 Pcc'a BNS: 54.340 Pcc'a OG: 54.4.431 Pcc'a Operators: (1|0,0,0) (2x|1/2,0,1/2)' (2y|0,0,1/2) (2z|1/2,0,0)' (-1|0,0,0)' (mx|1/2,0,1/2) (my|0,0,1/2)' (mz|1/2,0,0) Wyckoff positions: 8f (x,y,z;mx,my,mz) (x+1/2,-y,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;mx,-my,mz) (x+1/2,y,-z;-mx,-my,mz) 4e (1/4,1/2,z;mx,my,0) (3/4,1/2,-z+1/2;-mx,my,0) (3/4,1/2,-z;-mx,-my,0) (1/4,1/2,z+1/2;mx,-my,0) 4d (1/4,0,z;mx,my,0) (3/4,0,-z+1/2;-mx,my,0) (3/4,0,-z;-mx,-my,0) (1/4,0,z+1/2;mx,-my,0) 4c (0,y,1/4;0,my,0) (1/2,-y,1/4;0,my,0) (0,-y,3/4;0,-my,0) (1/2,y,3/4;0,-my,0) 4b (0,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,0;0,0,0) 4a (0,0,0;0,0,0) (1/2,0,1/2;0,0,0) (0,0,1/2;0,0,0) (1/2,0,0;0,0,0) ---------- UNI: 54.341 Pcca' BNS: 54.341 Pcca' OG: 54.5.432 Pcca' Operators: (1|0,0,0) (2x|1/2,0,1/2)' (2y|0,0,1/2)' (2z|1/2,0,0) (-1|0,0,0)' (mx|1/2,0,1/2) (my|0,0,1/2) (mz|1/2,0,0)' Wyckoff positions: 8f (x,y,z;mx,my,mz) (x+1/2,-y,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x+1/2,-y,z;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y,-z;mx,my,-mz) 4e (1/4,1/2,z;0,0,mz) (3/4,1/2,-z+1/2;0,0,mz) (3/4,1/2,-z;0,0,-mz) (1/4,1/2,z+1/2;0,0,-mz) 4d (1/4,0,z;0,0,mz) (3/4,0,-z+1/2;0,0,mz) (3/4,0,-z;0,0,-mz) (1/4,0,z+1/2;0,0,-mz) 4c (0,y,1/4;mx,0,mz) (1/2,-y,1/4;-mx,0,mz) (0,-y,3/4;-mx,0,-mz) (1/2,y,3/4;mx,0,-mz) 4b (0,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,0;0,0,0) 4a (0,0,0;0,0,0) (1/2,0,1/2;0,0,0) (0,0,1/2;0,0,0) (1/2,0,0;0,0,0) ---------- UNI: 54.342 Pc'c'a BNS: 54.342 Pc'c'a OG: 54.6.433 Pc'c'a Operators: (1|0,0,0) (2x|1/2,0,1/2)' (2y|0,0,1/2)' (2z|1/2,0,0) (-1|0,0,0) (mx|1/2,0,1/2)' (my|0,0,1/2)' (mz|1/2,0,0) Wyckoff positions: 8f (x,y,z;mx,my,mz) (x+1/2,-y,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x+1/2,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (x+1/2,y,-z;-mx,-my,mz) 4e (1/4,1/2,z;0,0,mz) (3/4,1/2,-z+1/2;0,0,mz) (3/4,1/2,-z;0,0,mz) (1/4,1/2,z+1/2;0,0,mz) 4d (1/4,0,z;0,0,mz) (3/4,0,-z+1/2;0,0,mz) (3/4,0,-z;0,0,mz) (1/4,0,z+1/2;0,0,mz) 4c (0,y,1/4;mx,0,mz) (1/2,-y,1/4;-mx,0,mz) (0,-y,3/4;mx,0,mz) (1/2,y,3/4;-mx,0,mz) 4b (0,1/2,0;mx,my,mz) (1/2,1/2,1/2;-mx,my,mz) (0,1/2,1/2;mx,-my,mz) (1/2,1/2,0;-mx,-my,mz) 4a (0,0,0;mx,my,mz) (1/2,0,1/2;-mx,my,mz) (0,0,1/2;mx,-my,mz) (1/2,0,0;-mx,-my,mz) ---------- UNI: 54.343 Pcc'a' BNS: 54.343 Pcc'a' OG: 54.7.434 Pcc'a' Operators: (1|0,0,0) (2x|1/2,0,1/2) (2y|0,0,1/2)' (2z|1/2,0,0)' (-1|0,0,0) (mx|1/2,0,1/2) (my|0,0,1/2)' (mz|1/2,0,0)' Wyckoff positions: 8f (x,y,z;mx,my,mz) (x+1/2,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;mx,-my,mz) (-x+1/2,-y,z;mx,my,-mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;mx,-my,mz) (x+1/2,y,-z;mx,my,-mz) 4e (1/4,1/2,z;mx,my,0) (3/4,1/2,-z+1/2;mx,-my,0) (3/4,1/2,-z;mx,my,0) (1/4,1/2,z+1/2;mx,-my,0) 4d (1/4,0,z;mx,my,0) (3/4,0,-z+1/2;mx,-my,0) (3/4,0,-z;mx,my,0) (1/4,0,z+1/2;mx,-my,0) 4c (0,y,1/4;mx,0,mz) (1/2,-y,1/4;mx,0,-mz) (0,-y,3/4;mx,0,mz) (1/2,y,3/4;mx,0,-mz) 4b (0,1/2,0;mx,my,mz) (1/2,1/2,1/2;mx,-my,-mz) (0,1/2,1/2;mx,-my,mz) (1/2,1/2,0;mx,my,-mz) 4a (0,0,0;mx,my,mz) (1/2,0,1/2;mx,-my,-mz) (0,0,1/2;mx,-my,mz) (1/2,0,0;mx,my,-mz) ---------- UNI: 54.344 Pc'ca' BNS: 54.344 Pc'ca' OG: 54.8.435 Pc'ca' Operators: (1|0,0,0) (2x|1/2,0,1/2)' (2y|0,0,1/2) (2z|1/2,0,0)' (-1|0,0,0) (mx|1/2,0,1/2)' (my|0,0,1/2) (mz|1/2,0,0)' Wyckoff positions: 8f (x,y,z;mx,my,mz) (x+1/2,-y,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z;mx,my,-mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y,-z;mx,my,-mz) 4e (1/4,1/2,z;mx,my,0) (3/4,1/2,-z+1/2;-mx,my,0) (3/4,1/2,-z;mx,my,0) (1/4,1/2,z+1/2;-mx,my,0) 4d (1/4,0,z;mx,my,0) (3/4,0,-z+1/2;-mx,my,0) (3/4,0,-z;mx,my,0) (1/4,0,z+1/2;-mx,my,0) 4c (0,y,1/4;0,my,0) (1/2,-y,1/4;0,my,0) (0,-y,3/4;0,my,0) (1/2,y,3/4;0,my,0) 4b (0,1/2,0;mx,my,mz) (1/2,1/2,1/2;-mx,my,mz) (0,1/2,1/2;-mx,my,-mz) (1/2,1/2,0;mx,my,-mz) 4a (0,0,0;mx,my,mz) (1/2,0,1/2;-mx,my,mz) (0,0,1/2;-mx,my,-mz) (1/2,0,0;mx,my,-mz) ---------- UNI: 54.345 Pc'c'a' BNS: 54.345 Pc'c'a' OG: 54.9.436 Pc'c'a' Operators: (1|0,0,0) (2x|1/2,0,1/2) (2y|0,0,1/2) (2z|1/2,0,0) (-1|0,0,0)' (mx|1/2,0,1/2)' (my|0,0,1/2)' (mz|1/2,0,0)' Wyckoff positions: 8f (x,y,z;mx,my,mz) (x+1/2,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (x+1/2,y,-z;mx,my,-mz) 4e (1/4,1/2,z;0,0,mz) (3/4,1/2,-z+1/2;0,0,-mz) (3/4,1/2,-z;0,0,-mz) (1/4,1/2,z+1/2;0,0,mz) 4d (1/4,0,z;0,0,mz) (3/4,0,-z+1/2;0,0,-mz) (3/4,0,-z;0,0,-mz) (1/4,0,z+1/2;0,0,mz) 4c (0,y,1/4;0,my,0) (1/2,-y,1/4;0,-my,0) (0,-y,3/4;0,-my,0) (1/2,y,3/4;0,my,0) 4b (0,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,0;0,0,0) 4a (0,0,0;0,0,0) (1/2,0,1/2;0,0,0) (0,0,1/2;0,0,0) (1/2,0,0;0,0,0) ---------- UNI: 54.346 Pcca.1'_a[Pccm] BNS: 54.346 P_acca OG: 49.10.373 P_2accm' OG-BNS transformation: (1/2,0,0;2a,b,c) Operators (BNS): (1|0,0,0) (2x|1/2,0,1/2) (2y|0,0,1/2) (2z|1/2,0,0) (-1|0,0,0) (mx|1/2,0,1/2) (my|0,0,1/2) (mz|1/2,0,0) (1|1/2,0,0)' (2x|0,0,1/2)' (2y|1/2,0,1/2)' (2z|0,0,0)' (-1|1/2,0,0)' (mx|0,0,1/2)' (my|1/2,0,1/2)' (mz|0,0,0)' Wyckoff positions (BNS): 16r (x,y,z;mx,my,mz) (x+1/2,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) (x+1/2,y,z;-mx,-my,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x,-y,z;mx,my,-mz) (-x+1/2,-y,-z;-mx,-my,-mz) (-x,y,z+1/2;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) (x,y,-z;mx,my,-mz) 8q (x,y,0;mx,my,0) (x+1/2,-y,1/2;mx,-my,0) (-x,y,1/2;-mx,my,0) (-x+1/2,-y,0;-mx,-my,0) (-x,-y,0;mx,my,0) (-x+1/2,y,1/2;mx,-my,0) (x,-y,1/2;-mx,my,0) (x+1/2,y,0;-mx,-my,0) 8p (0,0,z;mx,my,0) (1/2,0,-z+1/2;mx,-my,0) (0,0,-z+1/2;-mx,my,0) (1/2,0,z;-mx,-my,0) (0,0,-z;mx,my,0) (1/2,0,z+1/2;mx,-my,0) (0,0,z+1/2;-mx,my,0) (1/2,0,-z;-mx,-my,0) 8o (3/4,1/2,z;0,0,mz) (1/4,1/2,-z+1/2;0,0,-mz) (1/4,1/2,-z;0,0,mz) (3/4,1/2,z+1/2;0,0,-mz) (1/4,1/2,z;0,0,-mz) (3/4,1/2,-z+1/2;0,0,mz) (3/4,1/2,-z;0,0,-mz) (1/4,1/2,z+1/2;0,0,mz) 8n (0,1/2,z;mx,my,0) (1/2,1/2,-z+1/2;mx,-my,0) (0,1/2,-z+1/2;-mx,my,0) (1/2,1/2,z;-mx,-my,0) (0,1/2,-z;mx,my,0) (1/2,1/2,z+1/2;mx,-my,0) (0,1/2,z+1/2;-mx,my,0) (1/2,1/2,-z;-mx,-my,0) 8m (3/4,0,z;0,0,mz) (1/4,0,-z+1/2;0,0,-mz) (1/4,0,-z;0,0,mz) (3/4,0,z+1/2;0,0,-mz) (1/4,0,z;0,0,-mz) (3/4,0,-z+1/2;0,0,mz) (3/4,0,-z;0,0,-mz) (1/4,0,z+1/2;0,0,mz) 8l (0,y,1/4;0,my,0) (1/2,-y,1/4;0,-my,0) (0,-y,3/4;0,my,0) (1/2,y,3/4;0,-my,0) (1/2,y,1/4;0,-my,0) (0,-y,1/4;0,my,0) (1/2,-y,3/4;0,-my,0) (0,y,3/4;0,my,0) 8k (3/4,y,1/4;mx,0,mz) (1/4,-y,1/4;mx,0,-mz) (1/4,y,1/4;-mx,0,-mz) (3/4,-y,1/4;-mx,0,mz) (1/4,-y,3/4;mx,0,mz) (3/4,y,3/4;mx,0,-mz) (3/4,-y,3/4;-mx,0,-mz) (1/4,y,3/4;-mx,0,mz) 8j (x,1/2,1/4;0,my,mz) (x+1/2,1/2,1/4;0,-my,-mz) (-x,1/2,1/4;0,my,-mz) (-x+1/2,1/2,1/4;0,-my,mz) (-x,1/2,3/4;0,my,mz) (-x+1/2,1/2,3/4;0,-my,-mz) (x,1/2,3/4;0,my,-mz) (x+1/2,1/2,3/4;0,-my,mz) 8i (x,0,1/4;0,my,mz) (x+1/2,0,1/4;0,-my,-mz) (-x,0,1/4;0,my,-mz) (-x+1/2,0,1/4;0,-my,mz) (-x,0,3/4;0,my,mz) (-x+1/2,0,3/4;0,-my,-mz) (x,0,3/4;0,my,-mz) (x+1/2,0,3/4;0,-my,mz) 4h (0,1/2,1/4;0,my,0) (1/2,1/2,1/4;0,-my,0) (0,1/2,3/4;0,my,0) (1/2,1/2,3/4;0,-my,0) 4g (3/4,1/2,1/4;0,0,mz) (1/4,1/2,1/4;0,0,-mz) (1/4,1/2,3/4;0,0,mz) (3/4,1/2,3/4;0,0,-mz) 4f (0,0,1/4;0,my,0) (1/2,0,1/4;0,-my,0) (0,0,3/4;0,my,0) (1/2,0,3/4;0,-my,0) 4e (3/4,0,1/4;0,0,mz) (1/4,0,1/4;0,0,-mz) (1/4,0,3/4;0,0,mz) (3/4,0,3/4;0,0,-mz) 4d (0,0,0;mx,my,0) (1/2,0,1/2;mx,-my,0) (0,0,1/2;-mx,my,0) (1/2,0,0;-mx,-my,0) 4c (3/4,1/2,0;0,0,0) (1/4,1/2,1/2;0,0,0) (1/4,1/2,0;0,0,0) (3/4,1/2,1/2;0,0,0) 4b (0,1/2,0;mx,my,0) (1/2,1/2,1/2;mx,-my,0) (0,1/2,1/2;-mx,my,0) (1/2,1/2,0;-mx,-my,0) 4a (3/4,0,0;0,0,0) (1/4,0,1/2;0,0,0) (1/4,0,0;0,0,0) (3/4,0,1/2;0,0,0) Operators (OG): (1|0,0,0) (2x|1,0,1/2) (2y|1,0,1/2) (2z|0,0,0) (-1|1,0,0) (mx|0,0,1/2) (my|0,0,1/2) (mz|1,0,0) (1|1,0,0)' (2x|0,0,1/2)' (2y|0,0,1/2)' (2z|1,0,0)' (-1|0,0,0)' (mx|1,0,1/2)' (my|1,0,1/2)' (mz|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,1,0)+ (0,0,1)+ 16r (x,y,z;mx,my,mz) (x+1,-y,-z+1/2;mx,-my,-mz) (-x+1,y,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x+1,-y,-z;mx,my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1,y,-z;-mx,-my,mz) (x+1,y,z;-mx,-my,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x+1,-y,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x+1,y,z+1/2;-mx,my,mz) (x+1,-y,z+1/2;mx,-my,mz) (x,y,-z;mx,my,-mz) 8q (x,y,0;mx,my,0) (x+1,-y,1/2;mx,-my,0) (-x+1,y,1/2;-mx,my,0) (-x,-y,0;-mx,-my,0) (-x+1,-y,0;mx,my,0) (-x,y,1/2;mx,-my,0) (x,-y,1/2;-mx,my,0) (x+1,y,0;-mx,-my,0) 8p (1/2,0,z;mx,my,0) (3/2,0,-z+1/2;mx,-my,0) (1/2,0,-z+1/2;-mx,my,0) (-1/2,0,z;-mx,-my,0) (1/2,0,-z;mx,my,0) (-1/2,0,z+1/2;mx,-my,0) (1/2,0,z+1/2;-mx,my,0) (3/2,0,-z;-mx,-my,0) 8o (0,1/2,z;0,0,mz) (1,-1/2,-z+1/2;0,0,-mz) (1,-1/2,-z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) (1,1/2,z;0,0,-mz) (0,-1/2,-z+1/2;0,0,mz) (0,-1/2,-z;0,0,-mz) (1,1/2,z+1/2;0,0,mz) 8n (1/2,1/2,z;mx,my,0) (3/2,-1/2,-z+1/2;mx,-my,0) (1/2,1/2,-z+1/2;-mx,my,0) (-1/2,-1/2,z;-mx,-my,0) (1/2,-1/2,-z;mx,my,0) (-1/2,1/2,z+1/2;mx,-my,0) (1/2,-1/2,z+1/2;-mx,my,0) (3/2,1/2,-z;-mx,-my,0) 8m (0,0,z;0,0,mz) (1,0,-z+1/2;0,0,-mz) (1,0,-z;0,0,mz) (0,0,z+1/2;0,0,-mz) (1,0,z;0,0,-mz) (0,0,-z+1/2;0,0,mz) (0,0,-z;0,0,-mz) (1,0,z+1/2;0,0,mz) 8l (1/2,y,1/4;0,my,0) (3/2,-y,1/4;0,-my,0) (1/2,-y,-1/4;0,my,0) (-1/2,y,3/4;0,-my,0) (3/2,y,1/4;0,-my,0) (1/2,-y,1/4;0,my,0) (-1/2,-y,-1/4;0,-my,0) (1/2,y,3/4;0,my,0) 8k (0,y,1/4;mx,0,mz) (1,-y,1/4;mx,0,-mz) (1,y,1/4;-mx,0,-mz) (0,-y,1/4;-mx,0,mz) (1,-y,-1/4;mx,0,mz) (0,y,3/4;mx,0,-mz) (0,-y,3/4;-mx,0,-mz) (1,y,-1/4;-mx,0,mz) 8j (x,1/2,1/4;0,my,mz) (x+1,-1/2,1/4;0,-my,-mz) (-x+1,1/2,1/4;0,my,-mz) (-x,-1/2,1/4;0,-my,mz) (-x+1,-1/2,-1/4;0,my,mz) (-x,1/2,3/4;0,-my,-mz) (x,-1/2,3/4;0,my,-mz) (x+1,1/2,-1/4;0,-my,mz) 8i (x,0,1/4;0,my,mz) (x+1,0,1/4;0,-my,-mz) (-x+1,0,1/4;0,my,-mz) (-x,0,1/4;0,-my,mz) (-x+1,0,-1/4;0,my,mz) (-x,0,3/4;0,-my,-mz) (x,0,3/4;0,my,-mz) (x+1,0,-1/4;0,-my,mz) 4h (1/2,1/2,1/4;0,my,0) (3/2,-1/2,1/4;0,-my,0) (1/2,-1/2,-1/4;0,my,0) (-1/2,1/2,3/4;0,-my,0) 4g (0,1/2,1/4;0,0,mz) (1,-1/2,1/4;0,0,-mz) (1,-1/2,-1/4;0,0,mz) (0,1/2,3/4;0,0,-mz) 4f (1/2,0,1/4;0,my,0) (3/2,0,1/4;0,-my,0) (1/2,0,-1/4;0,my,0) (-1/2,0,3/4;0,-my,0) 4e (0,0,1/4;0,0,mz) (1,0,1/4;0,0,-mz) (1,0,-1/4;0,0,mz) (0,0,3/4;0,0,-mz) 4d (1/2,0,0;mx,my,0) (3/2,0,1/2;mx,-my,0) (1/2,0,1/2;-mx,my,0) (-1/2,0,0;-mx,-my,0) 4c (0,1/2,0;0,0,0) (1,-1/2,1/2;0,0,0) (1,-1/2,0;0,0,0) (0,1/2,1/2;0,0,0) 4b (1/2,1/2,0;mx,my,0) (3/2,-1/2,1/2;mx,-my,0) (1/2,1/2,1/2;-mx,my,0) (-1/2,-1/2,0;-mx,-my,0) 4a (0,0,0;0,0,0) (1,0,1/2;0,0,0) (1,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- UNI: 54.347 Pcca.1'_b[Pcca] BNS: 54.347 P_bcca OG: 54.10.437 P_2bcca OG-BNS transformation: (0,0,0;a,2b,c) Operators (BNS): (1|0,0,0) (2x|1/2,0,1/2) (2y|0,0,1/2) (2z|1/2,0,0) (-1|0,0,0) (mx|1/2,0,1/2) (my|0,0,1/2) (mz|1/2,0,0) (1|0,1/2,0)' (2x|1/2,1/2,1/2)' (2y|0,1/2,1/2)' (2z|1/2,1/2,0)' (-1|0,1/2,0)' (mx|1/2,1/2,1/2)' (my|0,1/2,1/2)' (mz|1/2,1/2,0)' Wyckoff positions (BNS): 16f (x,y,z;mx,my,mz) (x+1/2,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) (x,y+1/2,z;-mx,-my,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x,-y+1/2,-z;-mx,-my,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x,-y+1/2,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z;mx,my,-mz) 8e (1/4,1/4,z;mx,my,0) (3/4,3/4,-z+1/2;mx,-my,0) (3/4,1/4,-z+1/2;-mx,my,0) (1/4,3/4,z;-mx,-my,0) (3/4,3/4,-z;mx,my,0) (1/4,1/4,z+1/2;mx,-my,0) (1/4,3/4,z+1/2;-mx,my,0) (3/4,1/4,-z;-mx,-my,0) 8d (1/4,0,z;0,0,mz) (3/4,0,-z+1/2;0,0,-mz) (3/4,0,-z;0,0,mz) (1/4,0,z+1/2;0,0,-mz) (1/4,1/2,z;0,0,-mz) (3/4,1/2,-z+1/2;0,0,mz) (3/4,1/2,-z;0,0,-mz) (1/4,1/2,z+1/2;0,0,mz) 8c (0,y,1/4;0,my,0) (1/2,-y,1/4;0,-my,0) (0,-y,3/4;0,my,0) (1/2,y,3/4;0,-my,0) (0,y+1/2,1/4;0,-my,0) (1/2,-y+1/2,1/4;0,my,0) (0,-y+1/2,3/4;0,-my,0) (1/2,y+1/2,3/4;0,my,0) 8b (0,1/4,0;0,0,0) (1/2,3/4,1/2;0,0,0) (0,1/4,1/2;0,0,0) (1/2,3/4,0;0,0,0) (0,3/4,0;0,0,0) (1/2,1/4,1/2;0,0,0) (0,3/4,1/2;0,0,0) (1/2,1/4,0;0,0,0) 8a (0,0,0;mx,my,mz) (1/2,0,1/2;mx,-my,-mz) (0,0,1/2;-mx,my,-mz) (1/2,0,0;-mx,-my,mz) (0,1/2,0;-mx,-my,-mz) (1/2,1/2,1/2;-mx,my,mz) (0,1/2,1/2;mx,-my,mz) (1/2,1/2,0;mx,my,-mz) Operators (OG): (1|0,0,0) (2x|1/2,0,1/2) (2y|0,0,1/2) (2z|1/2,0,0) (-1|0,0,0) (mx|1/2,0,1/2) (my|0,0,1/2) (mz|1/2,0,0) (1|0,1,0)' (2x|1/2,1,1/2)' (2y|0,1,1/2)' (2z|1/2,1,0)' (-1|0,1,0)' (mx|1/2,1,1/2)' (my|0,1,1/2)' (mz|1/2,1,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,2,0)+ (0,0,1)+ 16f (x,y,z;mx,my,mz) (x+1/2,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) (x,y+1,z;-mx,-my,-mz) (x+1/2,-y+1,-z+1/2;-mx,my,mz) (-x,y+1,-z+1/2;mx,-my,mz) (-x+1/2,-y+1,z;mx,my,-mz) (-x,-y+1,-z;-mx,-my,-mz) (-x+1/2,y+1,z+1/2;-mx,my,mz) (x,-y+1,z+1/2;mx,-my,mz) (x+1/2,y+1,-z;mx,my,-mz) 8e (1/4,1/2,z;mx,my,0) (3/4,-1/2,-z+1/2;mx,-my,0) (-1/4,1/2,-z+1/2;-mx,my,0) (1/4,-1/2,z;-mx,-my,0) (-1/4,-1/2,-z;mx,my,0) (1/4,1/2,z+1/2;mx,-my,0) (1/4,-1/2,z+1/2;-mx,my,0) (3/4,1/2,-z;-mx,-my,0) 8d (1/4,0,z;0,0,mz) (3/4,0,-z+1/2;0,0,-mz) (-1/4,0,-z;0,0,mz) (1/4,0,z+1/2;0,0,-mz) (1/4,1,z;0,0,-mz) (3/4,1,-z+1/2;0,0,mz) (-1/4,1,-z;0,0,-mz) (1/4,1,z+1/2;0,0,mz) 8c (0,y,1/4;0,my,0) (1/2,-y,1/4;0,-my,0) (0,-y,-1/4;0,my,0) (1/2,y,3/4;0,-my,0) (0,y+1,1/4;0,-my,0) (1/2,-y+1,1/4;0,my,0) (0,-y+1,-1/4;0,-my,0) (1/2,y+1,3/4;0,my,0) 8b (0,1/2,0;0,0,0) (1/2,-1/2,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,-1/2,0;0,0,0) (0,-1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) (0,-1/2,1/2;0,0,0) (1/2,1/2,0;0,0,0) 8a (0,0,0;mx,my,mz) (1/2,0,1/2;mx,-my,-mz) (0,0,1/2;-mx,my,-mz) (1/2,0,0;-mx,-my,mz) (0,1,0;-mx,-my,-mz) (1/2,1,1/2;-mx,my,mz) (0,1,1/2;mx,-my,mz) (1/2,1,0;mx,my,-mz) ---------- UNI: 54.348 Pcca.1'_c[Pmma] BNS: 54.348 P_ccca OG: 51.18.404 P_2cm'm'a OG-BNS transformation: (0,0,0;a,b,2c) Operators (BNS): (1|0,0,0) (2x|1/2,0,1/2) (2y|0,0,1/2) (2z|1/2,0,0) (-1|0,0,0) (mx|1/2,0,1/2) (my|0,0,1/2) (mz|1/2,0,0) (1|0,0,1/2)' (2x|1/2,0,0)' (2y|0,0,0)' (2z|1/2,0,1/2)' (-1|0,0,1/2)' (mx|1/2,0,0)' (my|0,0,0)' (mz|1/2,0,1/2)' Wyckoff positions (BNS): 16l (x,y,z;mx,my,mz) (x+1/2,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) (x,y,z+1/2;-mx,-my,-mz) (x+1/2,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x,-y,-z+1/2;-mx,-my,-mz) (-x+1/2,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x+1/2,y,-z+1/2;mx,my,-mz) 8k (1/4,y,z;0,my,mz) (3/4,-y,-z+1/2;0,-my,-mz) (3/4,y,-z+1/2;0,my,-mz) (1/4,-y,z;0,-my,mz) (3/4,-y,-z;0,my,mz) (1/4,y,z+1/2;0,-my,-mz) (1/4,-y,z+1/2;0,my,-mz) (3/4,y,-z;0,-my,mz) 8j (x,1/2,z;mx,0,mz) (x+1/2,1/2,-z+1/2;mx,0,-mz) (-x,1/2,-z+1/2;-mx,0,-mz) (-x+1/2,1/2,z;-mx,0,mz) (-x,1/2,-z;mx,0,mz) (-x+1/2,1/2,z+1/2;mx,0,-mz) (x,1/2,z+1/2;-mx,0,-mz) (x+1/2,1/2,-z;-mx,0,mz) 8i (x,0,z;mx,0,mz) (x+1/2,0,-z+1/2;mx,0,-mz) (-x,0,-z+1/2;-mx,0,-mz) (-x+1/2,0,z;-mx,0,mz) (-x,0,-z;mx,0,mz) (-x+1/2,0,z+1/2;mx,0,-mz) (x,0,z+1/2;-mx,0,-mz) (x+1/2,0,-z;-mx,0,mz) 8h (0,y,1/4;0,my,0) (1/2,-y,1/4;0,-my,0) (0,-y,3/4;0,my,0) (1/2,y,3/4;0,-my,0) (0,y,3/4;0,-my,0) (1/2,-y,3/4;0,my,0) (0,-y,1/4;0,-my,0) (1/2,y,1/4;0,my,0) 8g (0,y,0;mx,0,mz) (1/2,-y,1/2;mx,0,-mz) (0,y,1/2;-mx,0,-mz) (1/2,-y,0;-mx,0,mz) (0,-y,0;mx,0,mz) (1/2,y,1/2;mx,0,-mz) (0,-y,1/2;-mx,0,-mz) (1/2,y,0;-mx,0,mz) 4f (1/4,1/2,z;0,0,mz) (3/4,1/2,-z+1/2;0,0,-mz) (3/4,1/2,-z;0,0,mz) (1/4,1/2,z+1/2;0,0,-mz) 4e (1/4,0,z;0,0,mz) (3/4,0,-z+1/2;0,0,-mz) (3/4,0,-z;0,0,mz) (1/4,0,z+1/2;0,0,-mz) 4d (0,1/2,1/4;0,0,0) (1/2,1/2,1/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,1/2,3/4;0,0,0) 4c (0,0,1/4;0,0,0) (1/2,0,1/4;0,0,0) (0,0,3/4;0,0,0) (1/2,0,3/4;0,0,0) 4b (0,1/2,0;mx,0,mz) (1/2,1/2,1/2;mx,0,-mz) (0,1/2,1/2;-mx,0,-mz) (1/2,1/2,0;-mx,0,mz) 4a (0,0,0;mx,0,mz) (1/2,0,1/2;mx,0,-mz) (0,0,1/2;-mx,0,-mz) (1/2,0,0;-mx,0,mz) Operators (OG): (1|0,0,0) (2x|1/2,0,1) (2y|0,0,1) (2z|1/2,0,0) (-1|0,0,0) (mx|1/2,0,1) (my|0,0,1) (mz|1/2,0,0) (1|0,0,1)' (2x|1/2,0,0)' (2y|0,0,0)' (2z|1/2,0,1)' (-1|0,0,1)' (mx|1/2,0,0)' (my|0,0,0)' (mz|1/2,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 16l (x,y,z;mx,my,mz) (x+1/2,-y,-z+1;mx,-my,-mz) (-x,y,-z+1;-mx,my,-mz) (-x+1/2,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y,z+1;mx,-my,-mz) (x,-y,z+1;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) (x,y,z+1;-mx,-my,-mz) (x+1/2,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x+1/2,-y,z+1;mx,my,-mz) (-x,-y,-z+1;-mx,-my,-mz) (-x+1/2,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x+1/2,y,-z+1;mx,my,-mz) 8k (1/4,y,z;0,my,mz) (3/4,-y,-z+1;0,-my,-mz) (-1/4,y,-z+1;0,my,-mz) (1/4,-y,z;0,-my,mz) (-1/4,-y,-z;0,my,mz) (1/4,y,z+1;0,-my,-mz) (1/4,-y,z+1;0,my,-mz) (3/4,y,-z;0,-my,mz) 8j (x,1/2,z;mx,0,mz) (x+1/2,-1/2,-z+1;mx,0,-mz) (-x,1/2,-z+1;-mx,0,-mz) (-x+1/2,-1/2,z;-mx,0,mz) (-x,-1/2,-z;mx,0,mz) (-x+1/2,1/2,z+1;mx,0,-mz) (x,-1/2,z+1;-mx,0,-mz) (x+1/2,1/2,-z;-mx,0,mz) 8i (x,0,z;mx,0,mz) (x+1/2,0,-z+1;mx,0,-mz) (-x,0,-z+1;-mx,0,-mz) (-x+1/2,0,z;-mx,0,mz) (-x,0,-z;mx,0,mz) (-x+1/2,0,z+1;mx,0,-mz) (x,0,z+1;-mx,0,-mz) (x+1/2,0,-z;-mx,0,mz) 8h (0,y,1/2;0,my,0) (1/2,-y,1/2;0,-my,0) (0,-y,-1/2;0,my,0) (1/2,y,3/2;0,-my,0) (0,y,3/2;0,-my,0) (1/2,-y,-1/2;0,my,0) (0,-y,1/2;0,-my,0) (1/2,y,1/2;0,my,0) 8g (0,y,0;mx,0,mz) (1/2,-y,1;mx,0,-mz) (0,y,1;-mx,0,-mz) (1/2,-y,0;-mx,0,mz) (0,-y,0;mx,0,mz) (1/2,y,1;mx,0,-mz) (0,-y,1;-mx,0,-mz) (1/2,y,0;-mx,0,mz) 4f (1/4,1/2,z;0,0,mz) (3/4,-1/2,-z+1;0,0,-mz) (-1/4,-1/2,-z;0,0,mz) (1/4,1/2,z+1;0,0,-mz) 4e (1/4,0,z;0,0,mz) (3/4,0,-z+1;0,0,-mz) (-1/4,0,-z;0,0,mz) (1/4,0,z+1;0,0,-mz) 4d (0,1/2,1/2;0,0,0) (1/2,-1/2,1/2;0,0,0) (0,-1/2,-1/2;0,0,0) (1/2,1/2,3/2;0,0,0) 4c (0,0,1/2;0,0,0) (1/2,0,1/2;0,0,0) (0,0,-1/2;0,0,0) (1/2,0,3/2;0,0,0) 4b (0,1/2,0;mx,0,mz) (1/2,-1/2,1;mx,0,-mz) (0,1/2,1;-mx,0,-mz) (1/2,-1/2,0;-mx,0,mz) 4a (0,0,0;mx,0,mz) (1/2,0,1;mx,0,-mz) (0,0,1;-mx,0,-mz) (1/2,0,0;-mx,0,mz) ---------- UNI: 54.349 Pcca.1'_A[Abma] BNS: 54.349 P_Acca OG: 64.11.538 C_Pm'ca OG-BNS transformation: (1/4,1/4,0;c,a,b) Operators (BNS): (1|0,0,0) (2x|1/2,0,1/2) (2y|0,0,1/2) (2z|1/2,0,0) (-1|0,0,0) (mx|1/2,0,1/2) (my|0,0,1/2) (mz|1/2,0,0) (1|0,1/2,1/2)' (2x|1/2,1/2,0)' (2y|0,1/2,0)' (2z|1/2,1/2,1/2)' (-1|0,1/2,1/2)' (mx|1/2,1/2,0)' (my|0,1/2,0)' (mz|1/2,1/2,1/2)' Wyckoff positions (BNS): 16g (x,y,z;mx,my,mz) (x+1/2,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x,y+1/2,-z;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x,-y+1/2,-z+1/2;-mx,-my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x,-y+1/2,z;mx,-my,mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) 8f (x,3/4,z;mx,0,mz) (x+1/2,1/4,-z+1/2;mx,0,-mz) (-x,3/4,-z+1/2;-mx,0,-mz) (-x+1/2,1/4,z;-mx,0,mz) (-x,1/4,-z;mx,0,mz) (-x+1/2,3/4,z+1/2;mx,0,-mz) (x,1/4,z+1/2;-mx,0,-mz) (x+1/2,3/4,-z;-mx,0,mz) 8e (1/4,0,z;0,0,mz) (3/4,0,-z+1/2;0,0,-mz) (3/4,0,-z;0,0,mz) (1/4,0,z+1/2;0,0,-mz) (1/4,1/2,z+1/2;0,0,-mz) (3/4,1/2,-z;0,0,mz) (3/4,1/2,-z+1/2;0,0,-mz) (1/4,1/2,z;0,0,mz) 8d (0,y,3/4;0,my,0) (1/2,-y,3/4;0,-my,0) (0,-y,1/4;0,my,0) (1/2,y,1/4;0,-my,0) (0,y+1/2,1/4;0,-my,0) (1/2,-y+1/2,1/4;0,my,0) (0,-y+1/2,3/4;0,-my,0) (1/2,y+1/2,3/4;0,my,0) 8c (0,0,0;mx,my,mz) (1/2,0,1/2;mx,-my,-mz) (0,0,1/2;-mx,my,-mz) (1/2,0,0;-mx,-my,mz) (0,1/2,1/2;-mx,-my,-mz) (1/2,1/2,0;-mx,my,mz) (0,1/2,0;mx,-my,mz) (1/2,1/2,1/2;mx,my,-mz) 4b (0,1/4,3/4;0,0,0) (1/2,3/4,3/4;0,0,0) (0,3/4,1/4;0,0,0) (1/2,1/4,1/4;0,0,0) 4a (0,3/4,3/4;0,0,0) (1/2,1/4,3/4;0,0,0) (0,1/4,1/4;0,0,0) (1/2,3/4,1/4;0,0,0) Operators (OG): (1|0,0,0) (2z|1/2,0,1/2) (2x|0,0,0) (2y|1/2,0,1/2) (-1|1/2,1/2,0) (mz|1,1/2,1/2) (mx|1/2,1/2,0) (my|1,1/2,1/2) (1|1/2,1/2,0)' (2z|1,1/2,1/2)' (2x|1/2,1/2,0)' (2y|1,1/2,1/2)' (-1|0,0,0)' (mz|1/2,0,1/2)' (mx|0,0,0)' (my|1/2,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (0,0,1)+ (1,0,0)+ (0,1,0)+ 16g (x,y,z;mx,my,mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (x,-y,-z;mx,-my,-mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,-z;mx,my,mz) (x+1,y+1/2,-z+1/2;-mx,-my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x+1,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x+1,-y+1/2,z+1/2;mx,my,-mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x+1,y+1/2,-z+1/2;mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (x+1/2,y,-z+1/2;mx,my,-mz) (-x,y,z;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) 8f (0,y,z;0,my,mz) (1/2,-y,z+1/2;0,-my,mz) (0,-y,-z;0,-my,-mz) (1/2,y,-z+1/2;0,my,-mz) (1/2,-y+1/2,-z;0,my,mz) (1,y+1/2,-z+1/2;0,-my,mz) (1/2,y+1/2,z;0,-my,-mz) (1,-y+1/2,z+1/2;0,my,-mz) 8e (1/4,y,1/4;0,my,0) (1/4,-y,3/4;0,-my,0) (1/4,-y+1/2,-1/4;0,my,0) (5/4,y+1/2,1/4;0,-my,0) (3/4,y+1/2,1/4;0,-my,0) (3/4,-y+1/2,3/4;0,my,0) (-1/4,-y,-1/4;0,-my,0) (3/4,y,1/4;0,my,0) 8d (x,0,0;mx,0,0) (-x+1/2,0,1/2;-mx,0,0) (-x+1/2,1/2,0;mx,0,0) (x+1,1/2,1/2;-mx,0,0) (x+1/2,1/2,0;-mx,0,0) (-x+1,1/2,1/2;mx,0,0) (-x,0,0;-mx,0,0) (x+1/2,0,1/2;mx,0,0) 8c (1/4,1/4,0;mx,my,mz) (1/4,-1/4,1/2;-mx,-my,mz) (1/4,-1/4,0;mx,-my,-mz) (1/4,1/4,1/2;-mx,my,-mz) (3/4,3/4,0;-mx,-my,-mz) (3/4,1/4,1/2;mx,my,-mz) (3/4,1/4,0;-mx,my,mz) (3/4,3/4,1/2;mx,-my,mz) 4b (1/2,0,0;0,0,0) (0,0,1/2;0,0,0) (0,1/2,0;0,0,0) (3/2,1/2,1/2;0,0,0) 4a (0,0,0;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) (1,1/2,1/2;0,0,0) ---------- UNI: 54.350 Pcca.1'_B[Bmcm] BNS: 54.350 P_Bcca OG: 67.13.589 C_Pm'ma OG-BNS transformation: (1/4,1/4,0;b,c,a) Operators (BNS): (1|0,0,0) (2x|1/2,0,1/2) (2y|0,0,1/2) (2z|1/2,0,0) (-1|0,0,0) (mx|1/2,0,1/2) (my|0,0,1/2) (mz|1/2,0,0) (1|1/2,0,1/2)' (2x|0,0,0)' (2y|1/2,0,0)' (2z|0,0,1/2)' (-1|1/2,0,1/2)' (mx|0,0,0)' (my|1/2,0,0)' (mz|0,0,1/2)' Wyckoff positions (BNS): 16o (x,y,z;mx,my,mz) (x+1/2,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) (x+1/2,y,z+1/2;-mx,-my,-mz) (x,-y,-z;-mx,my,mz) (-x+1/2,y,-z;mx,-my,mz) (-x,-y,z+1/2;mx,my,-mz) (-x+1/2,-y,-z+1/2;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) (x,y,-z+1/2;mx,my,-mz) 8n (0,y,z;0,my,mz) (1/2,-y,-z+1/2;0,-my,-mz) (0,y,-z+1/2;0,my,-mz) (1/2,-y,z;0,-my,mz) (0,-y,-z;0,my,mz) (1/2,y,z+1/2;0,-my,-mz) (0,-y,z+1/2;0,my,-mz) (1/2,y,-z;0,-my,mz) 8m (x,y,3/4;mx,my,0) (x+1/2,-y,3/4;mx,-my,0) (-x,y,3/4;-mx,my,0) (-x+1/2,-y,3/4;-mx,-my,0) (-x,-y,1/4;mx,my,0) (-x+1/2,y,1/4;mx,-my,0) (x,-y,1/4;-mx,my,0) (x+1/2,y,1/4;-mx,-my,0) 8l (3/4,y,0;mx,0,mz) (1/4,-y,1/2;mx,0,-mz) (1/4,y,1/2;-mx,0,-mz) (3/4,-y,0;-mx,0,mz) (1/4,-y,0;mx,0,mz) (3/4,y,1/2;mx,0,-mz) (3/4,-y,1/2;-mx,0,-mz) (1/4,y,0;-mx,0,mz) 8k (x,1/2,0;0,my,mz) (x+1/2,1/2,1/2;0,-my,-mz) (-x,1/2,1/2;0,my,-mz) (-x+1/2,1/2,0;0,-my,mz) (-x,1/2,0;0,my,mz) (-x+1/2,1/2,1/2;0,-my,-mz) (x,1/2,1/2;0,my,-mz) (x+1/2,1/2,0;0,-my,mz) 8j (x,0,0;0,my,mz) (x+1/2,0,1/2;0,-my,-mz) (-x,0,1/2;0,my,-mz) (-x+1/2,0,0;0,-my,mz) (-x,0,0;0,my,mz) (-x+1/2,0,1/2;0,-my,-mz) (x,0,1/2;0,my,-mz) (x+1/2,0,0;0,-my,mz) 8i (3/4,1/2,z;0,0,mz) (1/4,1/2,-z+1/2;0,0,-mz) (1/4,1/2,-z;0,0,mz) (3/4,1/2,z+1/2;0,0,-mz) (1/4,1/2,z+1/2;0,0,-mz) (3/4,1/2,-z;0,0,mz) (3/4,1/2,-z+1/2;0,0,-mz) (1/4,1/2,z;0,0,mz) 8h (3/4,0,z;0,0,mz) (1/4,0,-z+1/2;0,0,-mz) (1/4,0,-z;0,0,mz) (3/4,0,z+1/2;0,0,-mz) (1/4,0,z+1/2;0,0,-mz) (3/4,0,-z;0,0,mz) (3/4,0,-z+1/2;0,0,-mz) (1/4,0,z;0,0,mz) 4g (0,y,3/4;0,my,0) (1/2,-y,3/4;0,-my,0) (0,-y,1/4;0,my,0) (1/2,y,1/4;0,-my,0) 4f (0,1/2,0;0,my,mz) (1/2,1/2,1/2;0,-my,-mz) (0,1/2,1/2;0,my,-mz) (1/2,1/2,0;0,-my,mz) 4e (0,0,0;0,my,mz) (1/2,0,1/2;0,-my,-mz) (0,0,1/2;0,my,-mz) (1/2,0,0;0,-my,mz) 4d (3/4,1/2,3/4;0,0,0) (1/4,1/2,3/4;0,0,0) (1/4,1/2,1/4;0,0,0) (3/4,1/2,1/4;0,0,0) 4c (3/4,0,3/4;0,0,0) (1/4,0,3/4;0,0,0) (1/4,0,1/4;0,0,0) (3/4,0,1/4;0,0,0) 4b (3/4,1/2,0;0,0,mz) (1/4,1/2,1/2;0,0,-mz) (1/4,1/2,0;0,0,mz) (3/4,1/2,1/2;0,0,-mz) 4a (3/4,0,0;0,0,mz) (1/4,0,1/2;0,0,-mz) (1/4,0,0;0,0,mz) (3/4,0,1/2;0,0,-mz) Operators (OG): (1|0,0,0) (2y|1,1/2,0) (2z|1,1/2,0) (2x|0,0,0) (-1|1/2,1/2,0) (my|1/2,0,0) (mz|1/2,0,0) (mx|1/2,1/2,0) (1|1/2,1/2,0)' (2y|1/2,0,0)' (2z|1/2,0,0)' (2x|1/2,1/2,0)' (-1|0,0,0)' (my|1,1/2,0)' (mz|1,1/2,0)' (mx|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (0,1,0)+ (0,0,1)+ (1,0,0)+ 16o (x,y,z;mx,my,mz) (-x+1,y+1/2,-z;-mx,my,-mz) (-x+1,-y+1/2,z;-mx,-my,mz) (x,-y,-z;mx,-my,-mz) (-x+1/2,-y+1/2,-z;mx,my,mz) (x+1/2,-y,z;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x+1/2,y,-z;mx,-my,mz) (-x+1/2,-y,z;mx,my,-mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x,-y,-z;-mx,-my,-mz) (x+1,-y+1/2,z;mx,-my,mz) (x+1,y+1/2,-z;mx,my,-mz) (-x,y,z;-mx,my,mz) 8n (x,1/4,z;mx,0,mz) (-x+1,3/4,-z;-mx,0,-mz) (-x+1,1/4,z;-mx,0,mz) (x,-1/4,-z;mx,0,-mz) (-x+1/2,1/4,-z;mx,0,mz) (x+1/2,-1/4,z;-mx,0,-mz) (x+1/2,1/4,-z;-mx,0,mz) (-x+1/2,3/4,z;mx,0,-mz) 8m (0,y,z;0,my,mz) (1,y+1/2,-z;0,my,-mz) (1,-y+1/2,z;0,-my,mz) (0,-y,-z;0,-my,-mz) (1/2,-y+1/2,-z;0,my,mz) (1/2,-y,z;0,my,-mz) (1/2,y,-z;0,-my,mz) (1/2,y+1/2,z;0,-my,-mz) 8l (1/4,0,z;mx,my,0) (3/4,1/2,-z;-mx,my,0) (3/4,1/2,z;-mx,-my,0) (1/4,0,-z;mx,-my,0) (1/4,1/2,-z;mx,my,0) (3/4,0,z;-mx,my,0) (3/4,0,-z;-mx,-my,0) (1/4,1/2,z;mx,-my,0) 8k (1/4,y,1/2;mx,0,mz) (3/4,y+1/2,-1/2;-mx,0,-mz) (3/4,-y+1/2,1/2;-mx,0,mz) (1/4,-y,-1/2;mx,0,-mz) (1/4,-y+1/2,-1/2;mx,0,mz) (3/4,-y,1/2;-mx,0,-mz) (3/4,y,-1/2;-mx,0,mz) (1/4,y+1/2,1/2;mx,0,-mz) 8j (1/4,y,0;mx,0,mz) (3/4,y+1/2,0;-mx,0,-mz) (3/4,-y+1/2,0;-mx,0,mz) (1/4,-y,0;mx,0,-mz) (1/4,-y+1/2,0;mx,0,mz) (3/4,-y,0;-mx,0,-mz) (3/4,y,0;-mx,0,mz) (1/4,y+1/2,0;mx,0,-mz) 8i (x,0,1/2;mx,0,0) (-x+1,1/2,-1/2;-mx,0,0) (-x+1/2,1/2,-1/2;mx,0,0) (x+1/2,0,1/2;-mx,0,0) (x+1/2,1/2,1/2;-mx,0,0) (-x+1/2,0,-1/2;mx,0,0) (-x,0,-1/2;-mx,0,0) (x+1,1/2,1/2;mx,0,0) 8h (x,0,0;mx,0,0) (-x+1,1/2,0;-mx,0,0) (-x+1/2,1/2,0;mx,0,0) (x+1/2,0,0;-mx,0,0) (x+1/2,1/2,0;-mx,0,0) (-x+1/2,0,0;mx,0,0) (-x,0,0;-mx,0,0) (x+1,1/2,0;mx,0,0) 4g (0,1/4,z;0,0,mz) (1,3/4,-z;0,0,-mz) (1/2,1/4,-z;0,0,mz) (1/2,-1/4,z;0,0,-mz) 4f (1/4,1/4,1/2;mx,0,mz) (3/4,3/4,-1/2;-mx,0,-mz) (3/4,1/4,1/2;-mx,0,mz) (1/4,-1/4,-1/2;mx,0,-mz) 4e (1/4,1/4,0;mx,0,mz) (3/4,3/4,0;-mx,0,-mz) (3/4,1/4,0;-mx,0,mz) (1/4,-1/4,0;mx,0,-mz) 4d (0,0,1/2;0,0,0) (1,1/2,-1/2;0,0,0) (1/2,1/2,-1/2;0,0,0) (1/2,0,1/2;0,0,0) 4c (0,0,0;0,0,0) (1,1/2,0;0,0,0) (1/2,1/2,0;0,0,0) (1/2,0,0;0,0,0) 4b (1/4,0,1/2;mx,0,0) (3/4,1/2,-1/2;-mx,0,0) (1/4,1/2,-1/2;mx,0,0) (3/4,0,1/2;-mx,0,0) 4a (1/4,0,0;mx,0,0) (3/4,1/2,0;-mx,0,0) (1/4,1/2,0;mx,0,0) (3/4,0,0;-mx,0,0) ---------- UNI: 54.351 Pcca.1'_C[Cccb] BNS: 54.351 P_Ccca OG: 68.9.602 C_Pc'ca OG-BNS transformation: (1/4,1/4,1/2;b,-a,c) Operators (BNS): (1|0,0,0) (2x|1/2,0,1/2) (2y|0,0,1/2) (2z|1/2,0,0) (-1|0,0,0) (mx|1/2,0,1/2) (my|0,0,1/2) (mz|1/2,0,0) (1|1/2,1/2,0)' (2x|0,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|0,1/2,0)' (-1|1/2,1/2,0)' (mx|0,1/2,1/2)' (my|1/2,1/2,1/2)' (mz|0,1/2,0)' Wyckoff positions (BNS): 16i (x,y,z;mx,my,mz) (x+1/2,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x,-y+1/2,z;mx,my,-mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (-x,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (x,y+1/2,-z;mx,my,-mz) 8h (3/4,0,z;0,0,mz) (1/4,0,-z+1/2;0,0,-mz) (1/4,0,-z;0,0,mz) (3/4,0,z+1/2;0,0,-mz) (1/4,1/2,z;0,0,-mz) (3/4,1/2,-z+1/2;0,0,mz) (3/4,1/2,-z;0,0,-mz) (1/4,1/2,z+1/2;0,0,mz) 8g (0,1/4,z;mx,my,0) (1/2,3/4,-z+1/2;mx,-my,0) (0,1/4,-z+1/2;-mx,my,0) (1/2,3/4,z;-mx,-my,0) (0,3/4,-z;mx,my,0) (1/2,1/4,z+1/2;mx,-my,0) (0,3/4,z+1/2;-mx,my,0) (1/2,1/4,-z;-mx,-my,0) 8f (x,1/4,3/4;0,my,mz) (x+1/2,3/4,3/4;0,-my,-mz) (-x,1/4,3/4;0,my,-mz) (-x+1/2,3/4,3/4;0,-my,mz) (-x,3/4,1/4;0,my,mz) (-x+1/2,1/4,1/4;0,-my,-mz) (x,3/4,1/4;0,my,-mz) (x+1/2,1/4,1/4;0,-my,mz) 8e (0,y,3/4;0,my,0) (1/2,-y,3/4;0,-my,0) (0,-y,1/4;0,my,0) (1/2,y,1/4;0,-my,0) (1/2,y+1/2,3/4;0,-my,0) (0,-y+1/2,3/4;0,my,0) (1/2,-y+1/2,1/4;0,-my,0) (0,y+1/2,1/4;0,my,0) 8d (3/4,1/4,1/2;0,0,0) (1/4,3/4,0;0,0,0) (1/4,1/4,0;0,0,0) (3/4,3/4,1/2;0,0,0) (1/4,3/4,1/2;0,0,0) (3/4,1/4,0;0,0,0) (3/4,3/4,0;0,0,0) (1/4,1/4,1/2;0,0,0) 8c (1/2,0,1/2;mx,my,mz) (0,0,0;mx,-my,-mz) (1/2,0,0;-mx,my,-mz) (0,0,1/2;-mx,-my,mz) (0,1/2,1/2;-mx,-my,-mz) (1/2,1/2,0;-mx,my,mz) (0,1/2,0;mx,-my,mz) (1/2,1/2,1/2;mx,my,-mz) 4b (0,1/4,1/4;0,my,0) (1/2,3/4,1/4;0,-my,0) (0,3/4,3/4;0,my,0) (1/2,1/4,3/4;0,-my,0) 4a (0,1/4,3/4;0,my,0) (1/2,3/4,3/4;0,-my,0) (0,3/4,1/4;0,my,0) (1/2,1/4,1/4;0,-my,0) Operators (OG): (1|0,0,0) (2y|1/2,1/2,1/2) (2x|0,1/2,1/2) (2z|1/2,1,0) (-1|1/2,1/2,0) (my|1,1,1/2) (mx|1/2,0,1/2) (mz|1,1/2,0) (1|1/2,1/2,0)' (2y|0,0,1/2)' (2x|1/2,1,1/2)' (2z|0,1/2,0)' (-1|1,1,0)' (my|1/2,1/2,1/2)' (mx|1,1/2,1/2)' (mz|1/2,0,0)' Wyckoff positions (OG): (0,0,0)+ (0,1,0)+ (-1,0,0)+ (0,0,1)+ 16i (x,y,z;mx,my,mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (x,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,-y+1,z;-mx,-my,mz) (-x+1/2,-y+1/2,-z;mx,my,mz) (x+1,-y+1,z+1/2;-mx,my,-mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x+1,y+1/2,-z;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x,y,-z+1/2;mx,-my,mz) (x+1/2,-y+1,-z+1/2;-mx,my,mz) (-x,-y+1/2,z;mx,my,-mz) (-x+1,-y+1,-z;-mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (-x+1,y+1/2,z+1/2;-mx,my,mz) (x+1/2,y,-z;mx,my,-mz) 8h (1/4,0,z;0,0,mz) (1/4,1/2,-z+1/2;0,0,-mz) (1/4,1/2,-z;0,0,mz) (5/4,1,z+1/2;0,0,-mz) (3/4,1/2,z;0,0,-mz) (-1/4,0,-z+1/2;0,0,mz) (3/4,1,-z;0,0,-mz) (3/4,1/2,z+1/2;0,0,mz) 8g (0,1/4,z;mx,my,0) (1/2,3/4,-z+1/2;-mx,my,0) (0,1/4,-z+1/2;mx,-my,0) (1/2,3/4,z;-mx,-my,0) (1/2,1/4,-z;mx,my,0) (1,3/4,z+1/2;-mx,my,0) (1/2,1/4,z+1/2;mx,-my,0) (1,3/4,-z;-mx,-my,0) 8f (0,y,1/4;mx,0,mz) (1/2,y+1/2,1/4;-mx,0,-mz) (0,-y+1/2,1/4;mx,0,-mz) (1/2,-y+1,1/4;-mx,0,mz) (1/2,-y+1/2,-1/4;mx,0,mz) (1,-y+1,3/4;-mx,0,-mz) (1/2,y,3/4;mx,0,-mz) (1,y+1/2,-1/4;-mx,0,mz) 8e (x,1/4,1/4;mx,0,0) (-x+1/2,3/4,1/4;-mx,0,0) (-x+1/2,1/4,-1/4;mx,0,0) (x+1,3/4,3/4;-mx,0,0) (x+1/2,3/4,1/4;-mx,0,0) (-x,1/4,1/4;mx,0,0) (-x+1,3/4,-1/4;-mx,0,0) (x+1/2,1/4,3/4;mx,0,0) 8d (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1,0;0,0,0) (1/2,1/2,0;0,0,0) (1,1,1/2;0,0,0) (1/2,0,1/2;0,0,0) (1,1/2,0;0,0,0) 8c (1/4,3/4,0;mx,my,mz) (1/4,5/4,1/2;-mx,my,-mz) (1/4,-1/4,1/2;mx,-my,-mz) (1/4,1/4,0;-mx,-my,mz) (3/4,5/4,0;-mx,-my,-mz) (-1/4,3/4,1/2;mx,-my,mz) (3/4,1/4,1/2;-mx,my,mz) (-1/4,-1/4,0;mx,my,-mz) 4b (0,1/4,3/4;mx,0,0) (1/2,3/4,-1/4;-mx,0,0) (1/2,1/4,-3/4;mx,0,0) (1,3/4,5/4;-mx,0,0) 4a (0,1/4,1/4;mx,0,0) (1/2,3/4,1/4;-mx,0,0) (1/2,1/4,-1/4;mx,0,0) (1,3/4,3/4;-mx,0,0) ---------- UNI: 54.352 Pcca.1'_I[Icab] BNS: 54.352 P_Icca OG: 73.7.649 I_Pb'ca OG-BNS transformation: (0,0,0;a,-c,b) Operators (BNS): (1|0,0,0) (2x|1/2,0,1/2) (2y|0,0,1/2) (2z|1/2,0,0) (-1|0,0,0) (mx|1/2,0,1/2) (my|0,0,1/2) (mz|1/2,0,0) (1|1/2,1/2,1/2)' (2x|0,1/2,0)' (2y|1/2,1/2,0)' (2z|0,1/2,1/2)' (-1|1/2,1/2,1/2)' (mx|0,1/2,0)' (my|1/2,1/2,0)' (mz|0,1/2,1/2)' Wyckoff positions (BNS): 16f (x,y,z;mx,my,mz) (x+1/2,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x,-y+1/2,-z;-mx,my,mz) (-x+1/2,y+1/2,-z;mx,-my,mz) (-x,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (-x,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z;mx,-my,mz) (x,y+1/2,-z+1/2;mx,my,-mz) 8e (0,y,1/4;0,my,0) (1/2,-y,1/4;0,-my,0) (0,-y,3/4;0,my,0) (1/2,y,3/4;0,-my,0) (1/2,y+1/2,3/4;0,-my,0) (0,-y+1/2,3/4;0,my,0) (1/2,-y+1/2,1/4;0,-my,0) (0,y+1/2,1/4;0,my,0) 8d (1/4,0,z;0,0,mz) (3/4,0,-z+1/2;0,0,-mz) (3/4,0,-z;0,0,mz) (1/4,0,z+1/2;0,0,-mz) (3/4,1/2,z+1/2;0,0,-mz) (1/4,1/2,-z;0,0,mz) (1/4,1/2,-z+1/2;0,0,-mz) (3/4,1/2,z;0,0,mz) 8c (x,3/4,0;0,my,mz) (x+1/2,1/4,1/2;0,-my,-mz) (-x,3/4,1/2;0,my,-mz) (-x+1/2,1/4,0;0,-my,mz) (-x,1/4,0;0,my,mz) (-x+1/2,3/4,1/2;0,-my,-mz) (x,1/4,1/2;0,my,-mz) (x+1/2,3/4,0;0,-my,mz) 8b (1/4,3/4,1/4;0,0,0) (3/4,1/4,1/4;0,0,0) (3/4,3/4,1/4;0,0,0) (1/4,1/4,1/4;0,0,0) (3/4,1/4,3/4;0,0,0) (1/4,3/4,3/4;0,0,0) (1/4,1/4,3/4;0,0,0) (3/4,3/4,3/4;0,0,0) 8a (0,0,0;mx,my,mz) (1/2,0,1/2;mx,-my,-mz) (0,0,1/2;-mx,my,-mz) (1/2,0,0;-mx,-my,mz) (1/2,1/2,1/2;-mx,-my,-mz) (0,1/2,0;-mx,my,mz) (1/2,1/2,0;mx,-my,mz) (0,1/2,1/2;mx,my,-mz) Operators (OG): (1|0,0,0) (2x|1/2,1/2,1) (2z|0,1/2,0) (2y|1/2,0,0) (-1|0,0,0) (mx|1/2,1/2,1) (mz|0,1/2,0) (my|1/2,0,0) (1|1/2,1/2,1/2)' (2x|0,0,1/2)' (2z|1/2,1,1/2)' (2y|1,1/2,1/2)' (-1|1/2,1/2,1/2)' (mx|0,0,1/2)' (mz|1/2,1,1/2)' (my|1,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,0,-1)+ (0,1,0)+ 16f (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z+1;mx,-my,-mz) (-x,-y+1/2,z;-mx,-my,mz) (-x+1/2,y,-z;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z+1;mx,-my,-mz) (x,y+1/2,-z;-mx,-my,mz) (x+1/2,-y,z;-mx,my,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x+1/2,-y+1,z+1/2;mx,my,-mz) (-x+1,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (-x,y,z+1/2;-mx,my,mz) (x+1/2,y+1,-z+1/2;mx,my,-mz) (x+1,-y+1/2,z+1/2;mx,-my,mz) 8e (0,1/4,z;0,0,mz) (1/2,1/4,-z+1;0,0,-mz) (0,-1/4,-z;0,0,mz) (1/2,3/4,z+1;0,0,-mz) (1/2,3/4,z+1/2;0,0,-mz) (0,-1/4,-z+1/2;0,0,mz) (1/2,1/4,-z+1/2;0,0,-mz) (0,1/4,z+1/2;0,0,mz) 8d (1/4,y,0;0,my,0) (3/4,-y+1/2,1;0,-my,0) (-1/4,-y,0;0,my,0) (1/4,y+1/2,1;0,-my,0) (3/4,y+1/2,1/2;0,-my,0) (1/4,-y,1/2;0,my,0) (1/4,-y+1/2,1/2;0,-my,0) (-1/4,y,1/2;0,my,0) 8c (x,0,1/4;0,my,mz) (x+1/2,1/2,3/4;0,-my,-mz) (-x,1/2,1/4;0,-my,mz) (-x+1/2,0,-1/4;0,my,-mz) (-x,0,-1/4;0,my,mz) (-x+1/2,1/2,5/4;0,-my,-mz) (x,1/2,-1/4;0,-my,mz) (x+1/2,0,1/4;0,my,-mz) 8b (1/4,1/4,1/4;0,0,0) (3/4,1/4,3/4;0,0,0) (-1/4,1/4,1/4;0,0,0) (1/4,1/4,-1/4;0,0,0) (-1/4,-1/4,-1/4;0,0,0) (1/4,3/4,5/4;0,0,0) (1/4,3/4,-1/4;0,0,0) (3/4,-1/4,1/4;0,0,0) 8a (0,0,0;mx,my,mz) (1/2,1/2,1;mx,-my,-mz) (0,1/2,0;-mx,-my,mz) (1/2,0,0;-mx,my,-mz) (1/2,1/2,1/2;-mx,-my,-mz) (0,0,1/2;-mx,my,mz) (1/2,1,1/2;mx,my,-mz) (1,1/2,1/2;mx,-my,mz) ---------- UNI: 55.353 Pbam.1 BNS: 55.353 Pbam OG: 55.1.441 Pbam Operators: (1|0,0,0) (2x|1/2,1/2,0) (2y|1/2,1/2,0) (2z|0,0,0) (-1|0,0,0) (mx|1/2,1/2,0) (my|1/2,1/2,0) (mz|0,0,0) Wyckoff positions: 8i (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y+1/2,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) 4h (x,y,1/2;0,0,mz) (x+1/2,-y+1/2,1/2;0,0,-mz) (-x+1/2,y+1/2,1/2;0,0,-mz) (-x,-y,1/2;0,0,mz) 4g (x,y,0;0,0,mz) (x+1/2,-y+1/2,0;0,0,-mz) (-x+1/2,y+1/2,0;0,0,-mz) (-x,-y,0;0,0,mz) 4f (0,1/2,z;0,0,mz) (1/2,0,-z;0,0,-mz) (0,1/2,-z;0,0,mz) (1/2,0,z;0,0,-mz) 4e (0,0,z;0,0,mz) (1/2,1/2,-z;0,0,-mz) (0,0,-z;0,0,mz) (1/2,1/2,z;0,0,-mz) 2d (0,1/2,1/2;0,0,mz) (1/2,0,1/2;0,0,-mz) 2c (0,1/2,0;0,0,mz) (1/2,0,0;0,0,-mz) 2b (0,0,1/2;0,0,mz) (1/2,1/2,1/2;0,0,-mz) 2a (0,0,0;0,0,mz) (1/2,1/2,0;0,0,-mz) ---------- UNI: 55.354 Pbam.1' BNS: 55.354 Pbam1' OG: 55.2.442 Pbam1' Operators: (1|0,0,0) (2x|1/2,1/2,0) (2y|1/2,1/2,0) (2z|0,0,0) (-1|0,0,0) (mx|1/2,1/2,0) (my|1/2,1/2,0) (mz|0,0,0) (1|0,0,0)' (2x|1/2,1/2,0)' (2y|1/2,1/2,0)' (2z|0,0,0)' (-1|0,0,0)' (mx|1/2,1/2,0)' (my|1/2,1/2,0)' (mz|0,0,0)' Wyckoff positions: 8i (x,y,z;0,0,0) (x+1/2,-y+1/2,-z;0,0,0) (-x+1/2,y+1/2,-z;0,0,0) (-x,-y,z;0,0,0) (-x,-y,-z;0,0,0) (-x+1/2,y+1/2,z;0,0,0) (x+1/2,-y+1/2,z;0,0,0) (x,y,-z;0,0,0) 4h (x,y,1/2;0,0,0) (x+1/2,-y+1/2,1/2;0,0,0) (-x+1/2,y+1/2,1/2;0,0,0) (-x,-y,1/2;0,0,0) 4g (x,y,0;0,0,0) (x+1/2,-y+1/2,0;0,0,0) (-x+1/2,y+1/2,0;0,0,0) (-x,-y,0;0,0,0) 4f (0,1/2,z;0,0,0) (1/2,0,-z;0,0,0) (0,1/2,-z;0,0,0) (1/2,0,z;0,0,0) 4e (0,0,z;0,0,0) (1/2,1/2,-z;0,0,0) (0,0,-z;0,0,0) (1/2,1/2,z;0,0,0) 2d (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) 2c (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) 2b (0,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,0;0,0,0) ---------- UNI: 55.355 Pb'am BNS: 55.355 Pb'am OG: 55.3.443 Pb'am Operators: (1|0,0,0) (2x|1/2,1/2,0) (2y|1/2,1/2,0)' (2z|0,0,0)' (-1|0,0,0)' (mx|1/2,1/2,0)' (my|1/2,1/2,0) (mz|0,0,0) Wyckoff positions: 8i (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y+1/2,-z;mx,-my,mz) (-x,-y,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) 4h (x,y,1/2;0,0,mz) (x+1/2,-y+1/2,1/2;0,0,-mz) (-x+1/2,y+1/2,1/2;0,0,mz) (-x,-y,1/2;0,0,-mz) 4g (x,y,0;0,0,mz) (x+1/2,-y+1/2,0;0,0,-mz) (-x+1/2,y+1/2,0;0,0,mz) (-x,-y,0;0,0,-mz) 4f (0,1/2,z;mx,my,0) (1/2,0,-z;mx,-my,0) (0,1/2,-z;-mx,-my,0) (1/2,0,z;-mx,my,0) 4e (0,0,z;mx,my,0) (1/2,1/2,-z;mx,-my,0) (0,0,-z;-mx,-my,0) (1/2,1/2,z;-mx,my,0) 2d (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) 2c (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) 2b (0,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,0;0,0,0) ---------- UNI: 55.356 Pbam' BNS: 55.356 Pbam' OG: 55.4.444 Pbam' Operators: (1|0,0,0) (2x|1/2,1/2,0)' (2y|1/2,1/2,0)' (2z|0,0,0) (-1|0,0,0)' (mx|1/2,1/2,0) (my|1/2,1/2,0) (mz|0,0,0)' Wyckoff positions: 8i (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x+1/2,y+1/2,-z;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (x,y,-z;mx,my,-mz) 4h (x,y,1/2;mx,my,0) (x+1/2,-y+1/2,1/2;-mx,my,0) (-x+1/2,y+1/2,1/2;mx,-my,0) (-x,-y,1/2;-mx,-my,0) 4g (x,y,0;mx,my,0) (x+1/2,-y+1/2,0;-mx,my,0) (-x+1/2,y+1/2,0;mx,-my,0) (-x,-y,0;-mx,-my,0) 4f (0,1/2,z;0,0,mz) (1/2,0,-z;0,0,mz) (0,1/2,-z;0,0,-mz) (1/2,0,z;0,0,-mz) 4e (0,0,z;0,0,mz) (1/2,1/2,-z;0,0,mz) (0,0,-z;0,0,-mz) (1/2,1/2,z;0,0,-mz) 2d (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) 2c (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) 2b (0,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,0;0,0,0) ---------- UNI: 55.357 Pb'a'm BNS: 55.357 Pb'a'm OG: 55.5.445 Pb'a'm Operators: (1|0,0,0) (2x|1/2,1/2,0)' (2y|1/2,1/2,0)' (2z|0,0,0) (-1|0,0,0) (mx|1/2,1/2,0)' (my|1/2,1/2,0)' (mz|0,0,0) Wyckoff positions: 8i (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x+1/2,y+1/2,-z;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z;mx,-my,mz) (x,y,-z;-mx,-my,mz) 4h (x,y,1/2;0,0,mz) (x+1/2,-y+1/2,1/2;0,0,mz) (-x+1/2,y+1/2,1/2;0,0,mz) (-x,-y,1/2;0,0,mz) 4g (x,y,0;0,0,mz) (x+1/2,-y+1/2,0;0,0,mz) (-x+1/2,y+1/2,0;0,0,mz) (-x,-y,0;0,0,mz) 4f (0,1/2,z;0,0,mz) (1/2,0,-z;0,0,mz) (0,1/2,-z;0,0,mz) (1/2,0,z;0,0,mz) 4e (0,0,z;0,0,mz) (1/2,1/2,-z;0,0,mz) (0,0,-z;0,0,mz) (1/2,1/2,z;0,0,mz) 2d (0,1/2,1/2;0,0,mz) (1/2,0,1/2;0,0,mz) 2c (0,1/2,0;0,0,mz) (1/2,0,0;0,0,mz) 2b (0,0,1/2;0,0,mz) (1/2,1/2,1/2;0,0,mz) 2a (0,0,0;0,0,mz) (1/2,1/2,0;0,0,mz) ---------- UNI: 55.358 Pb'am' BNS: 55.358 Pb'am' OG: 55.6.446 Pb'am' Operators: (1|0,0,0) (2x|1/2,1/2,0)' (2y|1/2,1/2,0) (2z|0,0,0)' (-1|0,0,0) (mx|1/2,1/2,0)' (my|1/2,1/2,0) (mz|0,0,0)' Wyckoff positions: 8i (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x+1/2,y+1/2,-z;-mx,my,-mz) (-x,-y,z;mx,my,-mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (x,y,-z;mx,my,-mz) 4h (x,y,1/2;mx,my,0) (x+1/2,-y+1/2,1/2;-mx,my,0) (-x+1/2,y+1/2,1/2;-mx,my,0) (-x,-y,1/2;mx,my,0) 4g (x,y,0;mx,my,0) (x+1/2,-y+1/2,0;-mx,my,0) (-x+1/2,y+1/2,0;-mx,my,0) (-x,-y,0;mx,my,0) 4f (0,1/2,z;mx,my,0) (1/2,0,-z;-mx,my,0) (0,1/2,-z;mx,my,0) (1/2,0,z;-mx,my,0) 4e (0,0,z;mx,my,0) (1/2,1/2,-z;-mx,my,0) (0,0,-z;mx,my,0) (1/2,1/2,z;-mx,my,0) 2d (0,1/2,1/2;mx,my,0) (1/2,0,1/2;-mx,my,0) 2c (0,1/2,0;mx,my,0) (1/2,0,0;-mx,my,0) 2b (0,0,1/2;mx,my,0) (1/2,1/2,1/2;-mx,my,0) 2a (0,0,0;mx,my,0) (1/2,1/2,0;-mx,my,0) ---------- UNI: 55.359 Pb'a'm' BNS: 55.359 Pb'a'm' OG: 55.7.447 Pb'a'm' Operators: (1|0,0,0) (2x|1/2,1/2,0) (2y|1/2,1/2,0) (2z|0,0,0) (-1|0,0,0)' (mx|1/2,1/2,0)' (my|1/2,1/2,0)' (mz|0,0,0)' Wyckoff positions: 8i (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y+1/2,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z;mx,-my,mz) (x,y,-z;mx,my,-mz) 4h (x,y,1/2;mx,my,0) (x+1/2,-y+1/2,1/2;mx,-my,0) (-x+1/2,y+1/2,1/2;-mx,my,0) (-x,-y,1/2;-mx,-my,0) 4g (x,y,0;mx,my,0) (x+1/2,-y+1/2,0;mx,-my,0) (-x+1/2,y+1/2,0;-mx,my,0) (-x,-y,0;-mx,-my,0) 4f (0,1/2,z;0,0,mz) (1/2,0,-z;0,0,-mz) (0,1/2,-z;0,0,-mz) (1/2,0,z;0,0,mz) 4e (0,0,z;0,0,mz) (1/2,1/2,-z;0,0,-mz) (0,0,-z;0,0,-mz) (1/2,1/2,z;0,0,mz) 2d (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) 2c (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) 2b (0,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,0;0,0,0) ---------- UNI: 55.360 Pbam.1'_a[Pbmm] BNS: 55.360 P_abam OG: 51.16.402 P_2cm'ma OG-BNS transformation: (0,0,1/2;2c,a,b) Operators (BNS): (1|0,0,0) (2x|1/2,1/2,0) (2y|1/2,1/2,0) (2z|0,0,0) (-1|0,0,0) (mx|1/2,1/2,0) (my|1/2,1/2,0) (mz|0,0,0) (1|1/2,0,0)' (2x|0,1/2,0)' (2y|0,1/2,0)' (2z|1/2,0,0)' (-1|1/2,0,0)' (mx|0,1/2,0)' (my|0,1/2,0)' (mz|1/2,0,0)' Wyckoff positions (BNS): 16l (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y+1/2,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x+1/2,y,z;-mx,-my,-mz) (x,-y+1/2,-z;-mx,my,mz) (-x,y+1/2,-z;mx,-my,mz) (-x+1/2,-y,z;mx,my,-mz) (-x+1/2,-y,-z;-mx,-my,-mz) (-x,y+1/2,z;-mx,my,mz) (x,-y+1/2,z;mx,-my,mz) (x+1/2,y,-z;mx,my,-mz) 8k (x,1/4,z;mx,0,mz) (x+1/2,1/4,-z;mx,0,-mz) (-x+1/2,3/4,-z;-mx,0,-mz) (-x,3/4,z;-mx,0,mz) (-x,3/4,-z;mx,0,mz) (-x+1/2,3/4,z;mx,0,-mz) (x+1/2,1/4,z;-mx,0,-mz) (x,1/4,-z;-mx,0,mz) 8j (x,y,1/2;0,0,mz) (x+1/2,-y+1/2,1/2;0,0,-mz) (-x+1/2,y+1/2,1/2;0,0,-mz) (-x,-y,1/2;0,0,mz) (x+1/2,y,1/2;0,0,-mz) (x,-y+1/2,1/2;0,0,mz) (-x,y+1/2,1/2;0,0,mz) (-x+1/2,-y,1/2;0,0,-mz) 8i (x,y,0;0,0,mz) (x+1/2,-y+1/2,0;0,0,-mz) (-x+1/2,y+1/2,0;0,0,-mz) (-x,-y,0;0,0,mz) (x+1/2,y,0;0,0,-mz) (x,-y+1/2,0;0,0,mz) (-x,y+1/2,0;0,0,mz) (-x+1/2,-y,0;0,0,-mz) 8h (0,0,z;0,0,mz) (1/2,1/2,-z;0,0,-mz) (0,0,-z;0,0,mz) (1/2,1/2,z;0,0,-mz) (1/2,0,z;0,0,-mz) (0,1/2,-z;0,0,mz) (1/2,0,-z;0,0,-mz) (0,1/2,z;0,0,mz) 8g (3/4,0,z;mx,my,0) (1/4,1/2,-z;mx,-my,0) (3/4,1/2,-z;-mx,my,0) (1/4,0,z;-mx,-my,0) (1/4,0,-z;mx,my,0) (3/4,1/2,z;mx,-my,0) (1/4,1/2,z;-mx,my,0) (3/4,0,-z;-mx,-my,0) 4f (x,1/4,1/2;0,0,mz) (x+1/2,1/4,1/2;0,0,-mz) (-x+1/2,3/4,1/2;0,0,-mz) (-x,3/4,1/2;0,0,mz) 4e (x,1/4,0;0,0,mz) (x+1/2,1/4,0;0,0,-mz) (-x+1/2,3/4,0;0,0,-mz) (-x,3/4,0;0,0,mz) 4d (0,0,1/2;0,0,mz) (1/2,1/2,1/2;0,0,-mz) (1/2,0,1/2;0,0,-mz) (0,1/2,1/2;0,0,mz) 4c (0,0,0;0,0,mz) (1/2,1/2,0;0,0,-mz) (1/2,0,0;0,0,-mz) (0,1/2,0;0,0,mz) 4b (3/4,0,1/2;0,0,0) (1/4,1/2,1/2;0,0,0) (3/4,1/2,1/2;0,0,0) (1/4,0,1/2;0,0,0) 4a (3/4,0,0;0,0,0) (1/4,1/2,0;0,0,0) (3/4,1/2,0;0,0,0) (1/4,0,0;0,0,0) Operators (OG): (1|0,0,0) (2z|1/2,0,1) (2x|1/2,0,0) (2y|0,0,1) (-1|0,0,1) (mz|1/2,0,0) (mx|1/2,0,1) (my|0,0,0) (1|0,0,1)' (2z|1/2,0,0)' (2x|1/2,0,1)' (2y|0,0,0)' (-1|0,0,0)' (mz|1/2,0,1)' (mx|1/2,0,0)' (my|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (0,0,2)+ (1,0,0)+ (0,1,0)+ 16l (x,y,z;mx,my,mz) (-x+1/2,-y,z+1;-mx,-my,mz) (x+1/2,-y,-z;mx,-my,-mz) (-x,y,-z+1;-mx,my,-mz) (-x,-y,-z+1;mx,my,mz) (x+1/2,y,-z;-mx,-my,mz) (-x+1/2,y,z+1;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,z+1;-mx,-my,-mz) (-x+1/2,-y,z;mx,my,-mz) (x+1/2,-y,-z+1;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (x+1/2,y,-z+1;mx,my,-mz) (-x+1/2,y,z;-mx,my,mz) (x,-y,z+1;mx,-my,mz) 8k (1/4,y,z;0,my,mz) (1/4,-y,z+1;0,-my,mz) (3/4,-y,-z;0,-my,-mz) (-1/4,y,-z+1;0,my,-mz) (-1/4,-y,-z+1;0,my,mz) (3/4,y,-z;0,-my,mz) (1/4,y,z+1;0,-my,-mz) (1/4,-y,z;0,my,-mz) 8j (x,1/2,z;0,my,0) (-x+1/2,-1/2,z+1;0,-my,0) (x+1/2,-1/2,-z;0,-my,0) (-x,1/2,-z+1;0,my,0) (x,1/2,z+1;0,-my,0) (-x+1/2,-1/2,z;0,my,0) (x+1/2,-1/2,-z+1;0,my,0) (-x,1/2,-z;0,-my,0) 8i (x,0,z;0,my,0) (-x+1/2,0,z+1;0,-my,0) (x+1/2,0,-z;0,-my,0) (-x,0,-z+1;0,my,0) (x,0,z+1;0,-my,0) (-x+1/2,0,z;0,my,0) (x+1/2,0,-z+1;0,my,0) (-x,0,-z;0,-my,0) 8h (0,y,1/2;0,my,0) (1/2,-y,3/2;0,-my,0) (0,-y,1/2;0,my,0) (1/2,y,-1/2;0,-my,0) (0,y,3/2;0,-my,0) (1/2,-y,1/2;0,my,0) (0,-y,-1/2;0,-my,0) (1/2,y,1/2;0,my,0) 8g (0,y,0;mx,0,mz) (1/2,-y,1;-mx,0,mz) (1/2,-y,0;mx,0,-mz) (0,y,1;-mx,0,-mz) (0,-y,1;mx,0,mz) (1/2,y,0;-mx,0,mz) (1/2,y,1;mx,0,-mz) (0,-y,0;-mx,0,-mz) 4f (1/4,1/2,z;0,my,0) (1/4,-1/2,z+1;0,-my,0) (3/4,-1/2,-z;0,-my,0) (-1/4,1/2,-z+1;0,my,0) 4e (1/4,0,z;0,my,0) (1/4,0,z+1;0,-my,0) (3/4,0,-z;0,-my,0) (-1/4,0,-z+1;0,my,0) 4d (0,1/2,1/2;0,my,0) (1/2,-1/2,3/2;0,-my,0) (0,1/2,3/2;0,-my,0) (1/2,-1/2,1/2;0,my,0) 4c (0,0,1/2;0,my,0) (1/2,0,3/2;0,-my,0) (0,0,3/2;0,-my,0) (1/2,0,1/2;0,my,0) 4b (0,1/2,0;0,0,0) (1/2,-1/2,1;0,0,0) (1/2,-1/2,0;0,0,0) (0,1/2,1;0,0,0) 4a (0,0,0;0,0,0) (1/2,0,1;0,0,0) (1/2,0,0;0,0,0) (0,0,1;0,0,0) ---------- UNI: 55.361 Pbam.1'_c[Pbam] BNS: 55.361 P_cbam OG: 55.8.448 P_2cbam OG-BNS transformation: (0,0,0;a,b,2c) Operators (BNS): (1|0,0,0) (2x|1/2,1/2,0) (2y|1/2,1/2,0) (2z|0,0,0) (-1|0,0,0) (mx|1/2,1/2,0) (my|1/2,1/2,0) (mz|0,0,0) (1|0,0,1/2)' (2x|1/2,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|0,0,1/2)' (-1|0,0,1/2)' (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2)' (mz|0,0,1/2)' Wyckoff positions (BNS): 16i (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y+1/2,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x,y,z+1/2;-mx,-my,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x,-y,z+1/2;mx,my,-mz) (-x,-y,-z+1/2;-mx,-my,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (x,y,-z+1/2;mx,my,-mz) 8h (x,y,1/4;mx,my,0) (x+1/2,-y+1/2,3/4;mx,-my,0) (-x+1/2,y+1/2,3/4;-mx,my,0) (-x,-y,1/4;-mx,-my,0) (-x,-y,3/4;mx,my,0) (-x+1/2,y+1/2,1/4;mx,-my,0) (x+1/2,-y+1/2,1/4;-mx,my,0) (x,y,3/4;-mx,-my,0) 8g (x,y,0;0,0,mz) (x+1/2,-y+1/2,0;0,0,-mz) (-x+1/2,y+1/2,0;0,0,-mz) (-x,-y,0;0,0,mz) (x,y,1/2;0,0,-mz) (x+1/2,-y+1/2,1/2;0,0,mz) (-x+1/2,y+1/2,1/2;0,0,mz) (-x,-y,1/2;0,0,-mz) 8f (0,1/2,z;0,0,mz) (1/2,0,-z;0,0,-mz) (0,1/2,-z;0,0,mz) (1/2,0,z;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) (1/2,0,-z+1/2;0,0,mz) (0,1/2,-z+1/2;0,0,-mz) (1/2,0,z+1/2;0,0,mz) 8e (0,0,z;0,0,mz) (1/2,1/2,-z;0,0,-mz) (0,0,-z;0,0,mz) (1/2,1/2,z;0,0,-mz) (0,0,z+1/2;0,0,-mz) (1/2,1/2,-z+1/2;0,0,mz) (0,0,-z+1/2;0,0,-mz) (1/2,1/2,z+1/2;0,0,mz) 4d (0,1/2,1/4;0,0,0) (1/2,0,3/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,0,1/4;0,0,0) 4c (0,1/2,0;0,0,mz) (1/2,0,0;0,0,-mz) (0,1/2,1/2;0,0,-mz) (1/2,0,1/2;0,0,mz) 4b (0,0,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) (0,0,3/4;0,0,0) (1/2,1/2,1/4;0,0,0) 4a (0,0,0;0,0,mz) (1/2,1/2,0;0,0,-mz) (0,0,1/2;0,0,-mz) (1/2,1/2,1/2;0,0,mz) Operators (OG): (1|0,0,0) (2x|1/2,1/2,0) (2y|1/2,1/2,0) (2z|0,0,0) (-1|0,0,0) (mx|1/2,1/2,0) (my|1/2,1/2,0) (mz|0,0,0) (1|0,0,1)' (2x|1/2,1/2,1)' (2y|1/2,1/2,1)' (2z|0,0,1)' (-1|0,0,1)' (mx|1/2,1/2,1)' (my|1/2,1/2,1)' (mz|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 16i (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y+1/2,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x,y,z+1;-mx,-my,-mz) (x+1/2,-y+1/2,-z+1;-mx,my,mz) (-x+1/2,y+1/2,-z+1;mx,-my,mz) (-x,-y,z+1;mx,my,-mz) (-x,-y,-z+1;-mx,-my,-mz) (-x+1/2,y+1/2,z+1;-mx,my,mz) (x+1/2,-y+1/2,z+1;mx,-my,mz) (x,y,-z+1;mx,my,-mz) 8h (x,y,1/2;mx,my,0) (x+1/2,-y+1/2,-1/2;mx,-my,0) (-x+1/2,y+1/2,-1/2;-mx,my,0) (-x,-y,1/2;-mx,-my,0) (-x,-y,-1/2;mx,my,0) (-x+1/2,y+1/2,1/2;mx,-my,0) (x+1/2,-y+1/2,1/2;-mx,my,0) (x,y,-1/2;-mx,-my,0) 8g (x,y,0;0,0,mz) (x+1/2,-y+1/2,0;0,0,-mz) (-x+1/2,y+1/2,0;0,0,-mz) (-x,-y,0;0,0,mz) (x,y,1;0,0,-mz) (x+1/2,-y+1/2,1;0,0,mz) (-x+1/2,y+1/2,1;0,0,mz) (-x,-y,1;0,0,-mz) 8f (0,1/2,z;0,0,mz) (1/2,0,-z;0,0,-mz) (0,-1/2,-z;0,0,mz) (1/2,1,z;0,0,-mz) (0,1/2,z+1;0,0,-mz) (1/2,0,-z+1;0,0,mz) (0,-1/2,-z+1;0,0,-mz) (1/2,1,z+1;0,0,mz) 8e (0,0,z;0,0,mz) (1/2,1/2,-z;0,0,-mz) (0,0,-z;0,0,mz) (1/2,1/2,z;0,0,-mz) (0,0,z+1;0,0,-mz) (1/2,1/2,-z+1;0,0,mz) (0,0,-z+1;0,0,-mz) (1/2,1/2,z+1;0,0,mz) 4d (0,1/2,1/2;0,0,0) (1/2,0,-1/2;0,0,0) (0,-1/2,-1/2;0,0,0) (1/2,1,1/2;0,0,0) 4c (0,1/2,0;0,0,mz) (1/2,0,0;0,0,-mz) (0,1/2,1;0,0,-mz) (1/2,0,1;0,0,mz) 4b (0,0,1/2;0,0,0) (1/2,1/2,-1/2;0,0,0) (0,0,-1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 4a (0,0,0;0,0,mz) (1/2,1/2,0;0,0,-mz) (0,0,1;0,0,-mz) (1/2,1/2,1;0,0,mz) ---------- UNI: 55.362 Pbam.1'_A[Acam] BNS: 55.362 P_Abam OG: 64.10.537 C_Pmca OG-BNS transformation: (0,0,0;c,-b,a) Operators (BNS): (1|0,0,0) (2x|1/2,1/2,0) (2y|1/2,1/2,0) (2z|0,0,0) (-1|0,0,0) (mx|1/2,1/2,0) (my|1/2,1/2,0) (mz|0,0,0) (1|0,1/2,1/2)' (2x|1/2,0,1/2)' (2y|1/2,0,1/2)' (2z|0,1/2,1/2)' (-1|0,1/2,1/2)' (mx|1/2,0,1/2)' (my|1/2,0,1/2)' (mz|0,1/2,1/2)' Wyckoff positions (BNS): 16g (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y+1/2,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (x+1/2,-y,-z+1/2;-mx,my,mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x,-y+1/2,z+1/2;mx,my,-mz) (-x,-y+1/2,-z+1/2;-mx,-my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) (x,y+1/2,-z+1/2;mx,my,-mz) 8f (x,y,0;0,0,mz) (x+1/2,-y+1/2,0;0,0,-mz) (-x+1/2,y+1/2,0;0,0,-mz) (-x,-y,0;0,0,mz) (x,y+1/2,1/2;0,0,-mz) (x+1/2,-y,1/2;0,0,mz) (-x+1/2,y,1/2;0,0,mz) (-x,-y+1/2,1/2;0,0,-mz) 8e (1/4,y,1/4;mx,0,mz) (3/4,-y+1/2,3/4;mx,0,-mz) (1/4,y+1/2,3/4;-mx,0,-mz) (3/4,-y,1/4;-mx,0,mz) (3/4,-y,3/4;mx,0,mz) (1/4,y+1/2,1/4;mx,0,-mz) (3/4,-y+1/2,1/4;-mx,0,-mz) (1/4,y,3/4;-mx,0,mz) 8d (0,0,z;0,0,mz) (1/2,1/2,-z;0,0,-mz) (0,0,-z;0,0,mz) (1/2,1/2,z;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) (1/2,0,-z+1/2;0,0,mz) (0,1/2,-z+1/2;0,0,-mz) (1/2,0,z+1/2;0,0,mz) 8c (0,3/4,1/4;0,0,0) (1/2,3/4,3/4;0,0,0) (1/2,1/4,3/4;0,0,0) (0,1/4,1/4;0,0,0) (0,1/4,3/4;0,0,0) (1/2,1/4,1/4;0,0,0) (1/2,3/4,1/4;0,0,0) (0,3/4,3/4;0,0,0) 4b (0,0,1/2;0,0,mz) (1/2,1/2,1/2;0,0,-mz) (0,1/2,0;0,0,-mz) (1/2,0,0;0,0,mz) 4a (0,0,0;0,0,mz) (1/2,1/2,0;0,0,-mz) (0,1/2,1/2;0,0,-mz) (1/2,0,1/2;0,0,mz) Operators (OG): (1|0,0,0) (2z|1,1/2,1/2) (2y|1,1/2,1/2) (2x|0,0,0) (-1|0,0,0) (mz|1,1/2,1/2) (my|1,1/2,1/2) (mx|0,0,0) (1|1/2,1/2,0)' (2z|1/2,0,1/2)' (2y|1/2,0,1/2)' (2x|1/2,1/2,0)' (-1|1/2,1/2,0)' (mz|1/2,0,1/2)' (my|1/2,0,1/2)' (mx|1/2,1/2,0)' Wyckoff positions (OG): (0,0,0)+ (0,0,1)+ (0,-1,0)+ (1,0,0)+ 16g (x,y,z;mx,my,mz) (-x+1,-y+1/2,z+1/2;-mx,-my,mz) (-x+1,y+1/2,-z+1/2;-mx,my,-mz) (x,-y,-z;mx,-my,-mz) (-x,-y,-z;mx,my,mz) (x+1,y+1/2,-z+1/2;-mx,-my,mz) (x+1,-y+1/2,z+1/2;-mx,my,-mz) (-x,y,z;mx,-my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (x+1/2,y,-z+1/2;mx,my,-mz) (x+1/2,-y,z+1/2;mx,-my,mz) (-x+1/2,y+1/2,z;-mx,my,mz) 8f (0,y,z;mx,0,0) (1,-y+1/2,z+1/2;-mx,0,0) (1,y+1/2,-z+1/2;-mx,0,0) (0,-y,-z;mx,0,0) (1/2,y+1/2,z;-mx,0,0) (1/2,-y,z+1/2;mx,0,0) (1/2,y,-z+1/2;mx,0,0) (1/2,-y+1/2,-z;-mx,0,0) 8e (1/4,y,1/4;mx,0,mz) (3/4,-y+1/2,3/4;-mx,0,mz) (3/4,y+1/2,1/4;-mx,0,-mz) (1/4,-y,-1/4;mx,0,-mz) (-1/4,-y,-1/4;mx,0,mz) (5/4,y+1/2,1/4;-mx,0,mz) (5/4,-y+1/2,3/4;-mx,0,-mz) (-1/4,y,1/4;mx,0,-mz) 8d (x,0,0;mx,0,0) (-x+1,1/2,1/2;-mx,0,0) (-x,0,0;mx,0,0) (x+1,1/2,1/2;-mx,0,0) (x+1/2,1/2,0;-mx,0,0) (-x+1/2,0,1/2;mx,0,0) (-x+1/2,1/2,0;-mx,0,0) (x+1/2,0,1/2;mx,0,0) 8c (1/4,1/4,0;0,0,0) (3/4,1/4,1/2;0,0,0) (3/4,3/4,1/2;0,0,0) (1/4,-1/4,0;0,0,0) (-1/4,-1/4,0;0,0,0) (5/4,3/4,1/2;0,0,0) (5/4,1/4,1/2;0,0,0) (-1/4,1/4,0;0,0,0) 4b (1/2,0,0;mx,0,0) (1/2,1/2,1/2;-mx,0,0) (1,1/2,0;-mx,0,0) (0,0,1/2;mx,0,0) 4a (0,0,0;mx,0,0) (1,1/2,1/2;-mx,0,0) (1/2,1/2,0;-mx,0,0) (1/2,0,1/2;mx,0,0) ---------- UNI: 55.363 Pbam.1'_C[Cmmm] BNS: 55.363 P_Cbam OG: 65.15.559 C_Pm'm'm OG-BNS transformation: (0,0,0;a,b,c) Operators (BNS): (1|0,0,0) (2x|1/2,1/2,0) (2y|1/2,1/2,0) (2z|0,0,0) (-1|0,0,0) (mx|1/2,1/2,0) (my|1/2,1/2,0) (mz|0,0,0) (1|1/2,1/2,0)' (2x|0,0,0)' (2y|0,0,0)' (2z|1/2,1/2,0)' (-1|1/2,1/2,0)' (mx|0,0,0)' (my|0,0,0)' (mz|1/2,1/2,0)' Wyckoff positions (BNS): 16r (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y+1/2,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x+1/2,y+1/2,-z;mx,my,-mz) 8q (x,y,1/2;0,0,mz) (x+1/2,-y+1/2,1/2;0,0,-mz) (-x+1/2,y+1/2,1/2;0,0,-mz) (-x,-y,1/2;0,0,mz) (x+1/2,y+1/2,1/2;0,0,-mz) (x,-y,1/2;0,0,mz) (-x,y,1/2;0,0,mz) (-x+1/2,-y+1/2,1/2;0,0,-mz) 8p (x,y,0;0,0,mz) (x+1/2,-y+1/2,0;0,0,-mz) (-x+1/2,y+1/2,0;0,0,-mz) (-x,-y,0;0,0,mz) (x+1/2,y+1/2,0;0,0,-mz) (x,-y,0;0,0,mz) (-x,y,0;0,0,mz) (-x+1/2,-y+1/2,0;0,0,-mz) 8o (x,0,z;mx,0,mz) (x+1/2,1/2,-z;mx,0,-mz) (-x+1/2,1/2,-z;-mx,0,-mz) (-x,0,z;-mx,0,mz) (-x,0,-z;mx,0,mz) (-x+1/2,1/2,z;mx,0,-mz) (x+1/2,1/2,z;-mx,0,-mz) (x,0,-z;-mx,0,mz) 8n (0,y,z;0,my,mz) (1/2,-y+1/2,-z;0,-my,-mz) (1/2,y+1/2,-z;0,my,-mz) (0,-y,z;0,-my,mz) (0,-y,-z;0,my,mz) (1/2,y+1/2,z;0,-my,-mz) (1/2,-y+1/2,z;0,my,-mz) (0,y,-z;0,-my,mz) 8m (1/4,1/4,z;mx,my,0) (3/4,1/4,-z;mx,-my,0) (1/4,3/4,-z;-mx,my,0) (3/4,3/4,z;-mx,-my,0) (3/4,3/4,-z;mx,my,0) (1/4,3/4,z;mx,-my,0) (3/4,1/4,z;-mx,my,0) (1/4,1/4,-z;-mx,-my,0) 4l (0,1/2,z;0,0,mz) (1/2,0,-z;0,0,-mz) (0,1/2,-z;0,0,mz) (1/2,0,z;0,0,-mz) 4k (0,0,z;0,0,mz) (1/2,1/2,-z;0,0,-mz) (0,0,-z;0,0,mz) (1/2,1/2,z;0,0,-mz) 4j (0,y,1/2;0,0,mz) (1/2,-y+1/2,1/2;0,0,-mz) (1/2,y+1/2,1/2;0,0,-mz) (0,-y,1/2;0,0,mz) 4i (0,y,0;0,0,mz) (1/2,-y+1/2,0;0,0,-mz) (1/2,y+1/2,0;0,0,-mz) (0,-y,0;0,0,mz) 4h (x,0,1/2;0,0,mz) (x+1/2,1/2,1/2;0,0,-mz) (-x+1/2,1/2,1/2;0,0,-mz) (-x,0,1/2;0,0,mz) 4g (x,0,0;0,0,mz) (x+1/2,1/2,0;0,0,-mz) (-x+1/2,1/2,0;0,0,-mz) (-x,0,0;0,0,mz) 4f (1/4,1/4,1/2;0,0,0) (3/4,1/4,1/2;0,0,0) (1/4,3/4,1/2;0,0,0) (3/4,3/4,1/2;0,0,0) 4e (1/4,1/4,0;0,0,0) (3/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) (3/4,3/4,0;0,0,0) 2d (0,0,1/2;0,0,mz) (1/2,1/2,1/2;0,0,-mz) 2c (1/2,0,1/2;0,0,mz) (0,1/2,1/2;0,0,-mz) 2b (1/2,0,0;0,0,mz) (0,1/2,0;0,0,-mz) 2a (0,0,0;0,0,mz) (1/2,1/2,0;0,0,-mz) Operators (OG): (1|0,0,0) (2x|1/2,1/2,0) (2y|1/2,1/2,0) (2z|0,0,0) (-1|0,0,0) (mx|1/2,1/2,0) (my|1/2,1/2,0) (mz|0,0,0) (1|1/2,1/2,0)' (2x|0,0,0)' (2y|0,0,0)' (2z|1/2,1/2,0)' (-1|1/2,1/2,0)' (mx|0,0,0)' (my|0,0,0)' (mz|1/2,1/2,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16r (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y+1/2,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x+1/2,y+1/2,-z;mx,my,-mz) 8q (x,y,1/2;0,0,mz) (x+1/2,-y+1/2,-1/2;0,0,-mz) (-x+1/2,y+1/2,-1/2;0,0,-mz) (-x,-y,1/2;0,0,mz) (x+1/2,y+1/2,1/2;0,0,-mz) (x,-y,-1/2;0,0,mz) (-x,y,-1/2;0,0,mz) (-x+1/2,-y+1/2,1/2;0,0,-mz) 8p (x,y,0;0,0,mz) (x+1/2,-y+1/2,0;0,0,-mz) (-x+1/2,y+1/2,0;0,0,-mz) (-x,-y,0;0,0,mz) (x+1/2,y+1/2,0;0,0,-mz) (x,-y,0;0,0,mz) (-x,y,0;0,0,mz) (-x+1/2,-y+1/2,0;0,0,-mz) 8o (x,0,z;mx,0,mz) (x+1/2,1/2,-z;mx,0,-mz) (-x+1/2,1/2,-z;-mx,0,-mz) (-x,0,z;-mx,0,mz) (-x,0,-z;mx,0,mz) (-x+1/2,1/2,z;mx,0,-mz) (x+1/2,1/2,z;-mx,0,-mz) (x,0,-z;-mx,0,mz) 8n (0,y,z;0,my,mz) (1/2,-y+1/2,-z;0,-my,-mz) (1/2,y+1/2,-z;0,my,-mz) (0,-y,z;0,-my,mz) (0,-y,-z;0,my,mz) (1/2,y+1/2,z;0,-my,-mz) (1/2,-y+1/2,z;0,my,-mz) (0,y,-z;0,-my,mz) 8m (1/4,1/4,z;mx,my,0) (3/4,1/4,-z;mx,-my,0) (1/4,3/4,-z;-mx,my,0) (-1/4,-1/4,z;-mx,-my,0) (-1/4,-1/4,-z;mx,my,0) (1/4,3/4,z;mx,-my,0) (3/4,1/4,z;-mx,my,0) (1/4,1/4,-z;-mx,-my,0) 4l (0,1/2,z;0,0,mz) (1/2,0,-z;0,0,-mz) (0,-1/2,-z;0,0,mz) (1/2,1,z;0,0,-mz) 4k (0,0,z;0,0,mz) (1/2,1/2,-z;0,0,-mz) (0,0,-z;0,0,mz) (1/2,1/2,z;0,0,-mz) 4j (0,y,1/2;0,0,mz) (1/2,-y+1/2,-1/2;0,0,-mz) (1/2,y+1/2,-1/2;0,0,-mz) (0,-y,1/2;0,0,mz) 4i (0,y,0;0,0,mz) (1/2,-y+1/2,0;0,0,-mz) (1/2,y+1/2,0;0,0,-mz) (0,-y,0;0,0,mz) 4h (x,0,1/2;0,0,mz) (x+1/2,1/2,-1/2;0,0,-mz) (-x+1/2,1/2,-1/2;0,0,-mz) (-x,0,1/2;0,0,mz) 4g (x,0,0;0,0,mz) (x+1/2,1/2,0;0,0,-mz) (-x+1/2,1/2,0;0,0,-mz) (-x,0,0;0,0,mz) 4f (1/4,1/4,1/2;0,0,0) (3/4,1/4,-1/2;0,0,0) (1/4,3/4,-1/2;0,0,0) (-1/4,-1/4,1/2;0,0,0) 4e (1/4,1/4,0;0,0,0) (3/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) (-1/4,-1/4,0;0,0,0) 2d (0,0,1/2;0,0,mz) (1/2,1/2,-1/2;0,0,-mz) 2c (1/2,0,1/2;0,0,mz) (1,1/2,-1/2;0,0,-mz) 2b (1/2,0,0;0,0,mz) (1,1/2,0;0,0,-mz) 2a (0,0,0;0,0,mz) (1/2,1/2,0;0,0,-mz) ---------- UNI: 55.364 Pbam.1'_I[Ibam] BNS: 55.364 P_Ibam OG: 72.11.640 I_Pb'a'm OG-BNS transformation: (0,0,0;a,b,c) Operators (BNS): (1|0,0,0) (2x|1/2,1/2,0) (2y|1/2,1/2,0) (2z|0,0,0) (-1|0,0,0) (mx|1/2,1/2,0) (my|1/2,1/2,0) (mz|0,0,0) (1|1/2,1/2,1/2)' (2x|0,0,1/2)' (2y|0,0,1/2)' (2z|1/2,1/2,1/2)' (-1|1/2,1/2,1/2)' (mx|0,0,1/2)' (my|0,0,1/2)' (mz|1/2,1/2,1/2)' Wyckoff positions (BNS): 16k (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y+1/2,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) 8j (x,y,0;0,0,mz) (x+1/2,-y+1/2,0;0,0,-mz) (-x+1/2,y+1/2,0;0,0,-mz) (-x,-y,0;0,0,mz) (x+1/2,y+1/2,1/2;0,0,-mz) (x,-y,1/2;0,0,mz) (-x,y,1/2;0,0,mz) (-x+1/2,-y+1/2,1/2;0,0,-mz) 8i (0,1/2,z;0,0,mz) (1/2,0,-z;0,0,-mz) (0,1/2,-z;0,0,mz) (1/2,0,z;0,0,-mz) (1/2,0,z+1/2;0,0,-mz) (0,1/2,-z+1/2;0,0,mz) (1/2,0,-z+1/2;0,0,-mz) (0,1/2,z+1/2;0,0,mz) 8h (0,0,z;0,0,mz) (1/2,1/2,-z;0,0,-mz) (0,0,-z;0,0,mz) (1/2,1/2,z;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) (0,0,-z+1/2;0,0,mz) (1/2,1/2,-z+1/2;0,0,-mz) (0,0,z+1/2;0,0,mz) 8g (0,y,1/4;mx,0,mz) (1/2,-y+1/2,3/4;mx,0,-mz) (1/2,y+1/2,3/4;-mx,0,-mz) (0,-y,1/4;-mx,0,mz) (0,-y,3/4;mx,0,mz) (1/2,y+1/2,1/4;mx,0,-mz) (1/2,-y+1/2,1/4;-mx,0,-mz) (0,y,3/4;-mx,0,mz) 8f (x,0,1/4;0,my,mz) (x+1/2,1/2,3/4;0,-my,-mz) (-x+1/2,1/2,3/4;0,my,-mz) (-x,0,1/4;0,-my,mz) (-x,0,3/4;0,my,mz) (-x+1/2,1/2,1/4;0,-my,-mz) (x+1/2,1/2,1/4;0,my,-mz) (x,0,3/4;0,-my,mz) 8e (1/4,1/4,1/4;0,0,0) (3/4,1/4,3/4;0,0,0) (1/4,3/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) (1/4,3/4,1/4;0,0,0) (3/4,1/4,1/4;0,0,0) (1/4,1/4,3/4;0,0,0) 4d (1/2,0,0;0,0,mz) (0,1/2,0;0,0,-mz) (0,1/2,1/2;0,0,-mz) (1/2,0,1/2;0,0,mz) 4c (0,0,0;0,0,mz) (1/2,1/2,0;0,0,-mz) (1/2,1/2,1/2;0,0,-mz) (0,0,1/2;0,0,mz) 4b (1/2,0,1/4;0,0,mz) (0,1/2,3/4;0,0,-mz) (1/2,0,3/4;0,0,mz) (0,1/2,1/4;0,0,-mz) 4a (0,0,1/4;0,0,mz) (1/2,1/2,3/4;0,0,-mz) (0,0,3/4;0,0,mz) (1/2,1/2,1/4;0,0,-mz) Operators (OG): (1|0,0,0) (2x|1/2,1/2,1) (2y|1/2,1/2,1) (2z|0,0,0) (-1|0,0,0) (mx|1/2,1/2,1) (my|1/2,1/2,1) (mz|0,0,0) (1|1/2,1/2,1/2)' (2x|0,0,1/2)' (2y|0,0,1/2)' (2z|1/2,1/2,1/2)' (-1|1/2,1/2,1/2)' (mx|0,0,1/2)' (my|0,0,1/2)' (mz|1/2,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16k (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z+1;mx,-my,-mz) (-x+1/2,y+1/2,-z+1;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z+1;mx,-my,-mz) (x+1/2,-y+1/2,z+1;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) 8j (x,y,0;0,0,mz) (x+1/2,-y+1/2,1;0,0,-mz) (-x+1/2,y+1/2,1;0,0,-mz) (-x,-y,0;0,0,mz) (x+1/2,y+1/2,1/2;0,0,-mz) (x,-y,1/2;0,0,mz) (-x,y,1/2;0,0,mz) (-x+1/2,-y+1/2,1/2;0,0,-mz) 8i (0,1/2,z;0,0,mz) (1/2,0,-z+1;0,0,-mz) (0,-1/2,-z;0,0,mz) (1/2,1,z+1;0,0,-mz) (1/2,1,z+1/2;0,0,-mz) (0,-1/2,-z+1/2;0,0,mz) (1/2,0,-z+1/2;0,0,-mz) (0,1/2,z+1/2;0,0,mz) 8h (0,0,z;0,0,mz) (1/2,1/2,-z+1;0,0,-mz) (0,0,-z;0,0,mz) (1/2,1/2,z+1;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) (0,0,-z+1/2;0,0,mz) (1/2,1/2,-z+1/2;0,0,-mz) (0,0,z+1/2;0,0,mz) 8g (0,y,1/4;mx,0,mz) (1/2,-y+1/2,3/4;mx,0,-mz) (1/2,y+1/2,3/4;-mx,0,-mz) (0,-y,1/4;-mx,0,mz) (0,-y,-1/4;mx,0,mz) (1/2,y+1/2,5/4;mx,0,-mz) (1/2,-y+1/2,5/4;-mx,0,-mz) (0,y,-1/4;-mx,0,mz) 8f (x,0,1/4;0,my,mz) (x+1/2,1/2,3/4;0,-my,-mz) (-x+1/2,1/2,3/4;0,my,-mz) (-x,0,1/4;0,-my,mz) (-x,0,-1/4;0,my,mz) (-x+1/2,1/2,5/4;0,-my,-mz) (x+1/2,1/2,5/4;0,my,-mz) (x,0,-1/4;0,-my,mz) 8e (1/4,1/4,1/4;0,0,0) (3/4,1/4,3/4;0,0,0) (1/4,3/4,3/4;0,0,0) (-1/4,-1/4,1/4;0,0,0) (-1/4,-1/4,-1/4;0,0,0) (1/4,3/4,5/4;0,0,0) (3/4,1/4,5/4;0,0,0) (1/4,1/4,-1/4;0,0,0) 4d (1/2,0,0;0,0,mz) (1,1/2,1;0,0,-mz) (1,1/2,1/2;0,0,-mz) (1/2,0,1/2;0,0,mz) 4c (0,0,0;0,0,mz) (1/2,1/2,1;0,0,-mz) (1/2,1/2,1/2;0,0,-mz) (0,0,1/2;0,0,mz) 4b (1/2,0,1/4;0,0,mz) (1,1/2,3/4;0,0,-mz) (-1/2,0,-1/4;0,0,mz) (0,1/2,5/4;0,0,-mz) 4a (0,0,1/4;0,0,mz) (1/2,1/2,3/4;0,0,-mz) (0,0,-1/4;0,0,mz) (1/2,1/2,5/4;0,0,-mz) ---------- UNI: 56.365 Pccn.1 BNS: 56.365 Pccn OG: 56.1.451 Pccn Operators: (1|0,0,0) (2x|1/2,0,1/2) (2y|0,1/2,1/2) (2z|1/2,1/2,0) (-1|0,0,0) (mx|1/2,0,1/2) (my|0,1/2,1/2) (mz|1/2,1/2,0) Wyckoff positions: 8e (x,y,z;mx,my,mz) (x+1/2,-y,-z+1/2;mx,-my,-mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) 4d (1/4,3/4,z;0,0,mz) (3/4,1/4,-z+1/2;0,0,-mz) (3/4,1/4,-z;0,0,mz) (1/4,3/4,z+1/2;0,0,-mz) 4c (1/4,1/4,z;0,0,mz) (3/4,3/4,-z+1/2;0,0,-mz) (3/4,3/4,-z;0,0,mz) (1/4,1/4,z+1/2;0,0,-mz) 4b (0,0,1/2;mx,my,mz) (1/2,0,0;mx,-my,-mz) (0,1/2,0;-mx,my,-mz) (1/2,1/2,1/2;-mx,-my,mz) 4a (0,0,0;mx,my,mz) (1/2,0,1/2;mx,-my,-mz) (0,1/2,1/2;-mx,my,-mz) (1/2,1/2,0;-mx,-my,mz) ---------- UNI: 56.366 Pccn.1' BNS: 56.366 Pccn1' OG: 56.2.452 Pccn1' Operators: (1|0,0,0) (2x|1/2,0,1/2) (2y|0,1/2,1/2) (2z|1/2,1/2,0) (-1|0,0,0) (mx|1/2,0,1/2) (my|0,1/2,1/2) (mz|1/2,1/2,0) (1|0,0,0)' (2x|1/2,0,1/2)' (2y|0,1/2,1/2)' (2z|1/2,1/2,0)' (-1|0,0,0)' (mx|1/2,0,1/2)' (my|0,1/2,1/2)' (mz|1/2,1/2,0)' Wyckoff positions: 8e (x,y,z;0,0,0) (x+1/2,-y,-z+1/2;0,0,0) (-x,y+1/2,-z+1/2;0,0,0) (-x+1/2,-y+1/2,z;0,0,0) (-x,-y,-z;0,0,0) (-x+1/2,y,z+1/2;0,0,0) (x,-y+1/2,z+1/2;0,0,0) (x+1/2,y+1/2,-z;0,0,0) 4d (1/4,3/4,z;0,0,0) (3/4,1/4,-z+1/2;0,0,0) (3/4,1/4,-z;0,0,0) (1/4,3/4,z+1/2;0,0,0) 4c (1/4,1/4,z;0,0,0) (3/4,3/4,-z+1/2;0,0,0) (3/4,3/4,-z;0,0,0) (1/4,1/4,z+1/2;0,0,0) 4b (0,0,1/2;0,0,0) (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 4a (0,0,0;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,0;0,0,0) ---------- UNI: 56.367 Pc'cn BNS: 56.367 Pc'cn OG: 56.3.453 Pc'cn Operators: (1|0,0,0) (2x|1/2,0,1/2) (2y|0,1/2,1/2)' (2z|1/2,1/2,0)' (-1|0,0,0)' (mx|1/2,0,1/2)' (my|0,1/2,1/2) (mz|1/2,1/2,0) Wyckoff positions: 8e (x,y,z;mx,my,mz) (x+1/2,-y,-z+1/2;mx,-my,-mz) (-x,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) 4d (1/4,3/4,z;mx,my,0) (3/4,1/4,-z+1/2;mx,-my,0) (3/4,1/4,-z;-mx,-my,0) (1/4,3/4,z+1/2;-mx,my,0) 4c (1/4,1/4,z;mx,my,0) (3/4,3/4,-z+1/2;mx,-my,0) (3/4,3/4,-z;-mx,-my,0) (1/4,1/4,z+1/2;-mx,my,0) 4b (0,0,1/2;0,0,0) (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 4a (0,0,0;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,0;0,0,0) ---------- UNI: 56.368 Pccn' BNS: 56.368 Pccn' OG: 56.4.454 Pccn' Operators: (1|0,0,0) (2x|1/2,0,1/2)' (2y|0,1/2,1/2)' (2z|1/2,1/2,0) (-1|0,0,0)' (mx|1/2,0,1/2) (my|0,1/2,1/2) (mz|1/2,1/2,0)' Wyckoff positions: 8e (x,y,z;mx,my,mz) (x+1/2,-y,-z+1/2;-mx,my,mz) (-x,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z;mx,my,-mz) 4d (1/4,3/4,z;0,0,mz) (3/4,1/4,-z+1/2;0,0,mz) (3/4,1/4,-z;0,0,-mz) (1/4,3/4,z+1/2;0,0,-mz) 4c (1/4,1/4,z;0,0,mz) (3/4,3/4,-z+1/2;0,0,mz) (3/4,3/4,-z;0,0,-mz) (1/4,1/4,z+1/2;0,0,-mz) 4b (0,0,1/2;0,0,0) (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 4a (0,0,0;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,0;0,0,0) ---------- UNI: 56.369 Pc'c'n BNS: 56.369 Pc'c'n OG: 56.5.455 Pc'c'n Operators: (1|0,0,0) (2x|1/2,0,1/2)' (2y|0,1/2,1/2)' (2z|1/2,1/2,0) (-1|0,0,0) (mx|1/2,0,1/2)' (my|0,1/2,1/2)' (mz|1/2,1/2,0) Wyckoff positions: 8e (x,y,z;mx,my,mz) (x+1/2,-y,-z+1/2;-mx,my,mz) (-x,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x,-y+1/2,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z;-mx,-my,mz) 4d (1/4,3/4,z;0,0,mz) (3/4,1/4,-z+1/2;0,0,mz) (3/4,1/4,-z;0,0,mz) (1/4,3/4,z+1/2;0,0,mz) 4c (1/4,1/4,z;0,0,mz) (3/4,3/4,-z+1/2;0,0,mz) (3/4,3/4,-z;0,0,mz) (1/4,1/4,z+1/2;0,0,mz) 4b (0,0,1/2;mx,my,mz) (1/2,0,0;-mx,my,mz) (0,1/2,0;mx,-my,mz) (1/2,1/2,1/2;-mx,-my,mz) 4a (0,0,0;mx,my,mz) (1/2,0,1/2;-mx,my,mz) (0,1/2,1/2;mx,-my,mz) (1/2,1/2,0;-mx,-my,mz) ---------- UNI: 56.370 Pc'cn' BNS: 56.370 Pc'cn' OG: 56.6.456 Pc'cn' Operators: (1|0,0,0) (2x|1/2,0,1/2)' (2y|0,1/2,1/2) (2z|1/2,1/2,0)' (-1|0,0,0) (mx|1/2,0,1/2)' (my|0,1/2,1/2) (mz|1/2,1/2,0)' Wyckoff positions: 8e (x,y,z;mx,my,mz) (x+1/2,-y,-z+1/2;-mx,my,mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z;mx,my,-mz) 4d (1/4,3/4,z;mx,my,0) (3/4,1/4,-z+1/2;-mx,my,0) (3/4,1/4,-z;mx,my,0) (1/4,3/4,z+1/2;-mx,my,0) 4c (1/4,1/4,z;mx,my,0) (3/4,3/4,-z+1/2;-mx,my,0) (3/4,3/4,-z;mx,my,0) (1/4,1/4,z+1/2;-mx,my,0) 4b (0,0,1/2;mx,my,mz) (1/2,0,0;-mx,my,mz) (0,1/2,0;-mx,my,-mz) (1/2,1/2,1/2;mx,my,-mz) 4a (0,0,0;mx,my,mz) (1/2,0,1/2;-mx,my,mz) (0,1/2,1/2;-mx,my,-mz) (1/2,1/2,0;mx,my,-mz) ---------- UNI: 56.371 Pc'c'n' BNS: 56.371 Pc'c'n' OG: 56.7.457 Pc'c'n' Operators: (1|0,0,0) (2x|1/2,0,1/2) (2y|0,1/2,1/2) (2z|1/2,1/2,0) (-1|0,0,0)' (mx|1/2,0,1/2)' (my|0,1/2,1/2)' (mz|1/2,1/2,0)' Wyckoff positions: 8e (x,y,z;mx,my,mz) (x+1/2,-y,-z+1/2;mx,-my,-mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x,-y+1/2,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z;mx,my,-mz) 4d (1/4,3/4,z;0,0,mz) (3/4,1/4,-z+1/2;0,0,-mz) (3/4,1/4,-z;0,0,-mz) (1/4,3/4,z+1/2;0,0,mz) 4c (1/4,1/4,z;0,0,mz) (3/4,3/4,-z+1/2;0,0,-mz) (3/4,3/4,-z;0,0,-mz) (1/4,1/4,z+1/2;0,0,mz) 4b (0,0,1/2;0,0,0) (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 4a (0,0,0;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,0;0,0,0) ---------- UNI: 56.372 Pccn.1'_b[Pcca] BNS: 56.372 P_bccn OG: 54.12.439 P_2bcca' OG-BNS transformation: (0,1/2,0;a,2b,c) Operators (BNS): (1|0,0,0) (2x|1/2,0,1/2) (2y|0,1/2,1/2) (2z|1/2,1/2,0) (-1|0,0,0) (mx|1/2,0,1/2) (my|0,1/2,1/2) (mz|1/2,1/2,0) (1|0,1/2,0)' (2x|1/2,1/2,1/2)' (2y|0,0,1/2)' (2z|1/2,0,0)' (-1|0,1/2,0)' (mx|1/2,1/2,1/2)' (my|0,0,1/2)' (mz|1/2,0,0)' Wyckoff positions (BNS): 16f (x,y,z;mx,my,mz) (x+1/2,-y,-z+1/2;mx,-my,-mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (x,y+1/2,z;-mx,-my,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x+1/2,-y,z;mx,my,-mz) (-x,-y+1/2,-z;-mx,-my,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (x+1/2,y,-z;mx,my,-mz) 8e (1/4,0,z;mx,my,0) (3/4,0,-z+1/2;mx,-my,0) (3/4,1/2,-z+1/2;-mx,my,0) (1/4,1/2,z;-mx,-my,0) (3/4,0,-z;mx,my,0) (1/4,0,z+1/2;mx,-my,0) (1/4,1/2,z+1/2;-mx,my,0) (3/4,1/2,-z;-mx,-my,0) 8d (1/4,3/4,z;0,0,mz) (3/4,1/4,-z+1/2;0,0,-mz) (3/4,1/4,-z;0,0,mz) (1/4,3/4,z+1/2;0,0,-mz) (1/4,1/4,z;0,0,-mz) (3/4,3/4,-z+1/2;0,0,mz) (3/4,3/4,-z;0,0,-mz) (1/4,1/4,z+1/2;0,0,mz) 8c (0,y,1/4;mx,0,mz) (1/2,-y,1/4;mx,0,-mz) (0,y+1/2,1/4;-mx,0,-mz) (1/2,-y+1/2,1/4;-mx,0,mz) (0,-y,3/4;mx,0,mz) (1/2,y,3/4;mx,0,-mz) (0,-y+1/2,3/4;-mx,0,-mz) (1/2,y+1/2,3/4;-mx,0,mz) 8b (0,0,0;mx,my,mz) (1/2,0,1/2;mx,-my,-mz) (0,1/2,1/2;-mx,my,-mz) (1/2,1/2,0;-mx,-my,mz) (0,1/2,0;-mx,-my,-mz) (1/2,1/2,1/2;-mx,my,mz) (0,0,1/2;mx,-my,mz) (1/2,0,0;mx,my,-mz) 8a (0,3/4,0;0,0,0) (1/2,1/4,1/2;0,0,0) (0,1/4,1/2;0,0,0) (1/2,3/4,0;0,0,0) (0,1/4,0;0,0,0) (1/2,3/4,1/2;0,0,0) (0,3/4,1/2;0,0,0) (1/2,1/4,0;0,0,0) Operators (OG): (1|0,0,0) (2x|1/2,1,1/2) (2y|0,1,1/2) (2z|1/2,0,0) (-1|0,1,0) (mx|1/2,0,1/2) (my|0,0,1/2) (mz|1/2,1,0) (1|0,1,0)' (2x|1/2,0,1/2)' (2y|0,0,1/2)' (2z|1/2,1,0)' (-1|0,0,0)' (mx|1/2,1,1/2)' (my|0,1,1/2)' (mz|1/2,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,2,0)+ (0,0,1)+ 16f (x,y,z;mx,my,mz) (x+1/2,-y+1,-z+1/2;mx,-my,-mz) (-x,y+1,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z;-mx,-my,mz) (-x,-y+1,-z;mx,my,mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1,-z;-mx,-my,mz) (x,y+1,z;-mx,-my,-mz) (x+1/2,-y,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x+1/2,-y+1,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,y+1,z+1/2;-mx,my,mz) (x,-y+1,z+1/2;mx,-my,mz) (x+1/2,y,-z;mx,my,-mz) 8e (1/4,1/2,z;mx,my,0) (3/4,1/2,-z+1/2;mx,-my,0) (-1/4,3/2,-z+1/2;-mx,my,0) (1/4,-1/2,z;-mx,-my,0) (-1/4,1/2,-z;mx,my,0) (1/4,1/2,z+1/2;mx,-my,0) (1/4,-1/2,z+1/2;-mx,my,0) (3/4,3/2,-z;-mx,-my,0) 8d (1/4,0,z;0,0,mz) (3/4,1,-z+1/2;0,0,-mz) (-1/4,1,-z;0,0,mz) (1/4,0,z+1/2;0,0,-mz) (1/4,1,z;0,0,-mz) (3/4,0,-z+1/2;0,0,mz) (-1/4,0,-z;0,0,-mz) (1/4,1,z+1/2;0,0,mz) 8c (0,y,1/4;mx,0,mz) (1/2,-y+1,1/4;mx,0,-mz) (0,y+1,1/4;-mx,0,-mz) (1/2,-y,1/4;-mx,0,mz) (0,-y+1,-1/4;mx,0,mz) (1/2,y,3/4;mx,0,-mz) (0,-y,3/4;-mx,0,-mz) (1/2,y+1,-1/4;-mx,0,mz) 8b (0,1/2,0;mx,my,mz) (1/2,1/2,1/2;mx,-my,-mz) (0,3/2,1/2;-mx,my,-mz) (1/2,-1/2,0;-mx,-my,mz) (0,3/2,0;-mx,-my,-mz) (1/2,-1/2,1/2;-mx,my,mz) (0,1/2,1/2;mx,-my,mz) (1/2,1/2,0;mx,my,-mz) 8a (0,0,0;0,0,0) (1/2,1,1/2;0,0,0) (0,1,1/2;0,0,0) (1/2,0,0;0,0,0) (0,1,0;0,0,0) (1/2,0,1/2;0,0,0) (0,0,1/2;0,0,0) (1/2,1,0;0,0,0) ---------- UNI: 56.373 Pccn.1'_c[Pmmn] BNS: 56.373 P_cccn OG: 59.10.487 P_2cm'm'n OG-BNS transformation: (1/2,1/2,0;a,b,2c) Operators (BNS): (1|0,0,0) (2x|1/2,0,1/2) (2y|0,1/2,1/2) (2z|1/2,1/2,0) (-1|0,0,0) (mx|1/2,0,1/2) (my|0,1/2,1/2) (mz|1/2,1/2,0) (1|0,0,1/2)' (2x|1/2,0,0)' (2y|0,1/2,0)' (2z|1/2,1/2,1/2)' (-1|0,0,1/2)' (mx|1/2,0,0)' (my|0,1/2,0)' (mz|1/2,1/2,1/2)' Wyckoff positions (BNS): 16g (x,y,z;mx,my,mz) (x+1/2,-y,-z+1/2;mx,-my,-mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (x,y,z+1/2;-mx,-my,-mz) (x+1/2,-y,-z;-mx,my,mz) (-x,y+1/2,-z;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x,-y,-z+1/2;-mx,-my,-mz) (-x+1/2,y,z;-mx,my,mz) (x,-y+1/2,z;mx,-my,mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) 8f (x,3/4,z;mx,0,mz) (x+1/2,1/4,-z+1/2;mx,0,-mz) (-x,1/4,-z+1/2;-mx,0,-mz) (-x+1/2,3/4,z;-mx,0,mz) (-x,1/4,-z;mx,0,mz) (-x+1/2,3/4,z+1/2;mx,0,-mz) (x,3/4,z+1/2;-mx,0,-mz) (x+1/2,1/4,-z;-mx,0,mz) 8e (3/4,y,z;0,my,mz) (1/4,-y,-z+1/2;0,-my,-mz) (1/4,y+1/2,-z+1/2;0,my,-mz) (3/4,-y+1/2,z;0,-my,mz) (1/4,-y,-z;0,my,mz) (3/4,y,z+1/2;0,-my,-mz) (3/4,-y+1/2,z+1/2;0,my,-mz) (1/4,y+1/2,-z;0,-my,mz) 8d (1/2,1/2,1/4;0,0,0) (0,1/2,1/4;0,0,0) (1/2,0,1/4;0,0,0) (0,0,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,0,3/4;0,0,0) (0,0,3/4;0,0,0) 8c (1/2,1/2,0;mx,my,mz) (0,1/2,1/2;mx,-my,-mz) (1/2,0,1/2;-mx,my,-mz) (0,0,0;-mx,-my,mz) (1/2,1/2,1/2;-mx,-my,-mz) (0,1/2,0;-mx,my,mz) (1/2,0,0;mx,-my,mz) (0,0,1/2;mx,my,-mz) 4b (3/4,1/4,z;0,0,mz) (1/4,3/4,-z+1/2;0,0,-mz) (1/4,3/4,-z;0,0,mz) (3/4,1/4,z+1/2;0,0,-mz) 4a (3/4,3/4,z;0,0,mz) (1/4,1/4,-z+1/2;0,0,-mz) (1/4,1/4,-z;0,0,mz) (3/4,3/4,z+1/2;0,0,-mz) Operators (OG): (1|0,0,0) (2x|1/2,0,1) (2y|0,1/2,1) (2z|1/2,1/2,0) (-1|0,0,0) (mx|1/2,0,1) (my|0,1/2,1) (mz|1/2,1/2,0) (1|0,0,1)' (2x|1/2,0,0)' (2y|0,1/2,0)' (2z|1/2,1/2,1)' (-1|0,0,1)' (mx|1/2,0,0)' (my|0,1/2,0)' (mz|1/2,1/2,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 16g (x,y,z;mx,my,mz) (x+1/2,-y,-z+1;mx,-my,-mz) (-x,y+1/2,-z+1;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y,z+1;mx,-my,-mz) (x,-y+1/2,z+1;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (x,y,z+1;-mx,-my,-mz) (x+1/2,-y,-z;-mx,my,mz) (-x,y+1/2,-z;mx,-my,mz) (-x+1/2,-y+1/2,z+1;mx,my,-mz) (-x,-y,-z+1;-mx,-my,-mz) (-x+1/2,y,z;-mx,my,mz) (x,-y+1/2,z;mx,-my,mz) (x+1/2,y+1/2,-z+1;mx,my,-mz) 8f (x,1/4,z;mx,0,mz) (x+1/2,-1/4,-z+1;mx,0,-mz) (-x,3/4,-z+1;-mx,0,-mz) (-x+1/2,1/4,z;-mx,0,mz) (-x,-1/4,-z;mx,0,mz) (-x+1/2,1/4,z+1;mx,0,-mz) (x,1/4,z+1;-mx,0,-mz) (x+1/2,3/4,-z;-mx,0,mz) 8e (1/4,y,z;0,my,mz) (3/4,-y,-z+1;0,-my,-mz) (-1/4,y+1/2,-z+1;0,my,-mz) (1/4,-y+1/2,z;0,-my,mz) (-1/4,-y,-z;0,my,mz) (1/4,y,z+1;0,-my,-mz) (1/4,-y+1/2,z+1;0,my,-mz) (3/4,y+1/2,-z;0,-my,mz) 8d (0,0,1/2;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) (0,0,-1/2;0,0,0) (1/2,0,3/2;0,0,0) (0,1/2,3/2;0,0,0) (1/2,1/2,-1/2;0,0,0) 8c (0,0,0;mx,my,mz) (1/2,0,1;mx,-my,-mz) (0,1/2,1;-mx,my,-mz) (1/2,1/2,0;-mx,-my,mz) (0,0,1;-mx,-my,-mz) (1/2,0,0;-mx,my,mz) (0,1/2,0;mx,-my,mz) (1/2,1/2,1;mx,my,-mz) 4b (1/4,3/4,z;0,0,mz) (3/4,-3/4,-z+1;0,0,-mz) (-1/4,-3/4,-z;0,0,mz) (1/4,3/4,z+1;0,0,-mz) 4a (1/4,1/4,z;0,0,mz) (3/4,-1/4,-z+1;0,0,-mz) (-1/4,-1/4,-z;0,0,mz) (1/4,1/4,z+1;0,0,-mz) ---------- UNI: 56.374 Pccn.1'_A[Abma] BNS: 56.374 P_Accn OG: 64.14.541 C_Pm'c'a OG-BNS transformation: (0,0,0;c,a,b) Operators (BNS): (1|0,0,0) (2x|1/2,0,1/2) (2y|0,1/2,1/2) (2z|1/2,1/2,0) (-1|0,0,0) (mx|1/2,0,1/2) (my|0,1/2,1/2) (mz|1/2,1/2,0) (1|0,1/2,1/2)' (2x|1/2,1/2,0)' (2y|0,0,0)' (2z|1/2,0,1/2)' (-1|0,1/2,1/2)' (mx|1/2,1/2,0)' (my|0,0,0)' (mz|1/2,0,1/2)' Wyckoff positions (BNS): 16g (x,y,z;mx,my,mz) (x+1/2,-y,-z+1/2;mx,-my,-mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x,-y+1/2,-z+1/2;-mx,-my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x+1/2,y,-z+1/2;mx,my,-mz) 8f (x,0,z;mx,0,mz) (x+1/2,0,-z+1/2;mx,0,-mz) (-x,1/2,-z+1/2;-mx,0,-mz) (-x+1/2,1/2,z;-mx,0,mz) (-x,0,-z;mx,0,mz) (-x+1/2,0,z+1/2;mx,0,-mz) (x,1/2,z+1/2;-mx,0,-mz) (x+1/2,1/2,-z;-mx,0,mz) 8e (1/4,1/4,z;0,0,mz) (3/4,3/4,-z+1/2;0,0,-mz) (3/4,3/4,-z;0,0,mz) (1/4,1/4,z+1/2;0,0,-mz) (1/4,3/4,z+1/2;0,0,-mz) (3/4,1/4,-z;0,0,mz) (3/4,1/4,-z+1/2;0,0,-mz) (1/4,3/4,z;0,0,mz) 8d (0,y,0;mx,0,mz) (1/2,-y,1/2;mx,0,-mz) (0,y+1/2,1/2;-mx,0,-mz) (1/2,-y+1/2,0;-mx,0,mz) (0,-y,0;mx,0,mz) (1/2,y,1/2;mx,0,-mz) (0,-y+1/2,1/2;-mx,0,-mz) (1/2,y+1/2,0;-mx,0,mz) 8c (0,1/4,1/4;0,0,0) (1/2,3/4,1/4;0,0,0) (0,3/4,1/4;0,0,0) (1/2,1/4,1/4;0,0,0) (0,3/4,3/4;0,0,0) (1/2,1/4,3/4;0,0,0) (0,1/4,3/4;0,0,0) (1/2,3/4,3/4;0,0,0) 4b (0,1/2,0;mx,0,mz) (1/2,1/2,1/2;mx,0,-mz) (0,0,1/2;-mx,0,-mz) (1/2,0,0;-mx,0,mz) 4a (0,0,0;mx,0,mz) (1/2,0,1/2;mx,0,-mz) (0,1/2,1/2;-mx,0,-mz) (1/2,1/2,0;-mx,0,mz) Operators (OG): (1|0,0,0) (2z|1,1/2,1/2) (2x|1/2,1/2,0) (2y|1/2,0,1/2) (-1|0,0,0) (mz|1,1/2,1/2) (mx|1/2,1/2,0) (my|1/2,0,1/2) (1|1/2,1/2,0)' (2z|1/2,0,1/2)' (2x|0,0,0)' (2y|1,1/2,1/2)' (-1|1/2,1/2,0)' (mz|1/2,0,1/2)' (mx|0,0,0)' (my|1,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (0,0,1)+ (1,0,0)+ (0,1,0)+ 16g (x,y,z;mx,my,mz) (-x+1,-y+1/2,z+1/2;-mx,-my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x+1,y+1/2,-z+1/2;-mx,-my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (x,-y,-z;-mx,my,mz) (-x+1,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (x+1/2,y,-z+1/2;mx,my,-mz) (-x,y,z;-mx,my,mz) (x+1,-y+1/2,z+1/2;mx,-my,mz) 8f (0,y,z;0,my,mz) (1,-y+1/2,z+1/2;0,-my,mz) (1/2,-y+1/2,-z;0,-my,-mz) (1/2,y,-z+1/2;0,my,-mz) (0,-y,-z;0,my,mz) (1,y+1/2,-z+1/2;0,-my,mz) (1/2,y+1/2,z;0,-my,-mz) (1/2,-y,z+1/2;0,my,-mz) 8e (1/4,y,1/4;0,my,0) (3/4,-y+1/2,3/4;0,-my,0) (-1/4,-y,-1/4;0,my,0) (5/4,y+1/2,1/4;0,-my,0) (3/4,y+1/2,1/4;0,-my,0) (1/4,-y,3/4;0,my,0) (1/4,-y+1/2,-1/4;0,-my,0) (3/4,y,1/4;0,my,0) 8d (x,0,0;0,my,mz) (-x+1,1/2,1/2;0,-my,mz) (x+1/2,1/2,0;0,-my,-mz) (-x+1/2,0,1/2;0,my,-mz) (-x,0,0;0,my,mz) (x+1,1/2,1/2;0,-my,mz) (-x+1/2,1/2,0;0,-my,-mz) (x+1/2,0,1/2;0,my,-mz) 8c (1/4,1/4,0;0,0,0) (3/4,1/4,1/2;0,0,0) (3/4,1/4,0;0,0,0) (1/4,1/4,1/2;0,0,0) (-1/4,-1/4,0;0,0,0) (5/4,3/4,1/2;0,0,0) (1/4,3/4,0;0,0,0) (3/4,-1/4,1/2;0,0,0) 4b (1/2,0,0;0,my,mz) (1/2,1/2,1/2;0,-my,mz) (1,1/2,0;0,-my,-mz) (0,0,1/2;0,my,-mz) 4a (0,0,0;0,my,mz) (1,1/2,1/2;0,-my,mz) (1/2,1/2,0;0,-my,-mz) (1/2,0,1/2;0,my,-mz) ---------- UNI: 56.375 Pccn.1'_C[Cccm] BNS: 56.375 P_Cccn OG: 66.10.573 C_Pccm' OG-BNS transformation: (1/4,1/4,0;a,b,c) Operators (BNS): (1|0,0,0) (2x|1/2,0,1/2) (2y|0,1/2,1/2) (2z|1/2,1/2,0) (-1|0,0,0) (mx|1/2,0,1/2) (my|0,1/2,1/2) (mz|1/2,1/2,0) (1|1/2,1/2,0)' (2x|0,1/2,1/2)' (2y|1/2,0,1/2)' (2z|0,0,0)' (-1|1/2,1/2,0)' (mx|0,1/2,1/2)' (my|1/2,0,1/2)' (mz|0,0,0)' Wyckoff positions (BNS): 16m (x,y,z;mx,my,mz) (x+1/2,-y,-z+1/2;mx,-my,-mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x,-y,z;mx,my,-mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (-x,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) (x,y,-z;mx,my,-mz) 8l (x,y,0;mx,my,0) (x+1/2,-y,1/2;mx,-my,0) (-x,y+1/2,1/2;-mx,my,0) (-x+1/2,-y+1/2,0;-mx,-my,0) (-x,-y,0;mx,my,0) (-x+1/2,y,1/2;mx,-my,0) (x,-y+1/2,1/2;-mx,my,0) (x+1/2,y+1/2,0;-mx,-my,0) 8k (0,0,z;mx,my,0) (1/2,0,-z+1/2;mx,-my,0) (0,1/2,-z+1/2;-mx,my,0) (1/2,1/2,z;-mx,-my,0) (0,0,-z;mx,my,0) (1/2,0,z+1/2;mx,-my,0) (0,1/2,z+1/2;-mx,my,0) (1/2,1/2,-z;-mx,-my,0) 8j (3/4,1/4,z;0,0,mz) (1/4,3/4,-z+1/2;0,0,-mz) (1/4,3/4,-z;0,0,mz) (3/4,1/4,z+1/2;0,0,-mz) (1/4,3/4,z;0,0,-mz) (3/4,1/4,-z+1/2;0,0,mz) (3/4,1/4,-z;0,0,-mz) (1/4,3/4,z+1/2;0,0,mz) 8i (3/4,3/4,z;0,0,mz) (1/4,1/4,-z+1/2;0,0,-mz) (1/4,1/4,-z;0,0,mz) (3/4,3/4,z+1/2;0,0,-mz) (1/4,1/4,z;0,0,-mz) (3/4,3/4,-z+1/2;0,0,mz) (3/4,3/4,-z;0,0,-mz) (1/4,1/4,z+1/2;0,0,mz) 8h (3/4,y,1/4;mx,0,mz) (1/4,-y,1/4;mx,0,-mz) (1/4,y+1/2,1/4;-mx,0,-mz) (3/4,-y+1/2,1/4;-mx,0,mz) (1/4,-y,3/4;mx,0,mz) (3/4,y,3/4;mx,0,-mz) (3/4,-y+1/2,3/4;-mx,0,-mz) (1/4,y+1/2,3/4;-mx,0,mz) 8g (x,3/4,1/4;0,my,mz) (x+1/2,1/4,1/4;0,-my,-mz) (-x,1/4,1/4;0,my,-mz) (-x+1/2,3/4,1/4;0,-my,mz) (-x,1/4,3/4;0,my,mz) (-x+1/2,3/4,3/4;0,-my,-mz) (x,3/4,3/4;0,my,-mz) (x+1/2,1/4,3/4;0,-my,mz) 4f (0,1/2,0;mx,my,0) (1/2,1/2,1/2;mx,-my,0) (0,0,1/2;-mx,my,0) (1/2,0,0;-mx,-my,0) 4e (0,0,0;mx,my,0) (1/2,0,1/2;mx,-my,0) (0,1/2,1/2;-mx,my,0) (1/2,1/2,0;-mx,-my,0) 4d (3/4,1/4,0;0,0,0) (1/4,3/4,1/2;0,0,0) (1/4,3/4,0;0,0,0) (3/4,1/4,1/2;0,0,0) 4c (3/4,3/4,0;0,0,0) (1/4,1/4,1/2;0,0,0) (1/4,1/4,0;0,0,0) (3/4,3/4,1/2;0,0,0) 4b (3/4,1/4,1/4;0,0,mz) (1/4,3/4,1/4;0,0,-mz) (1/4,3/4,3/4;0,0,mz) (3/4,1/4,3/4;0,0,-mz) 4a (3/4,3/4,1/4;0,0,mz) (1/4,1/4,1/4;0,0,-mz) (1/4,1/4,3/4;0,0,mz) (3/4,3/4,3/4;0,0,-mz) Operators (OG): (1|0,0,0) (2x|1/2,1/2,1/2) (2y|1/2,1/2,1/2) (2z|0,0,0) (-1|1/2,1/2,0) (mx|0,0,1/2) (my|0,0,1/2) (mz|1/2,1/2,0) (1|1/2,1/2,0)' (2x|0,0,1/2)' (2y|0,0,1/2)' (2z|1/2,1/2,0)' (-1|0,0,0)' (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2)' (mz|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16m (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,-y+1/2,-z;mx,my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (x,y,-z;mx,my,-mz) 8l (x,y,0;mx,my,0) (x+1/2,-y+1/2,1/2;mx,-my,0) (-x+1/2,y+1/2,1/2;-mx,my,0) (-x,-y,0;-mx,-my,0) (-x+1/2,-y+1/2,0;mx,my,0) (-x,y,1/2;mx,-my,0) (x,-y,1/2;-mx,my,0) (x+1/2,y+1/2,0;-mx,-my,0) 8k (1/4,1/4,z;mx,my,0) (3/4,1/4,-z+1/2;mx,-my,0) (1/4,3/4,-z+1/2;-mx,my,0) (-1/4,-1/4,z;-mx,-my,0) (1/4,1/4,-z;mx,my,0) (-1/4,1/4,z+1/2;mx,-my,0) (1/4,-1/4,z+1/2;-mx,my,0) (3/4,3/4,-z;-mx,-my,0) 8j (0,1/2,z;0,0,mz) (1/2,0,-z+1/2;0,0,-mz) (1/2,0,-z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) (1/2,1,z;0,0,-mz) (0,-1/2,-z+1/2;0,0,mz) (0,-1/2,-z;0,0,-mz) (1/2,1,z+1/2;0,0,mz) 8i (0,0,z;0,0,mz) (1/2,1/2,-z+1/2;0,0,-mz) (1/2,1/2,-z;0,0,mz) (0,0,z+1/2;0,0,-mz) (1/2,1/2,z;0,0,-mz) (0,0,-z+1/2;0,0,mz) (0,0,-z;0,0,-mz) (1/2,1/2,z+1/2;0,0,mz) 8h (0,y,1/4;mx,0,mz) (1/2,-y+1/2,1/4;mx,0,-mz) (1/2,y+1/2,1/4;-mx,0,-mz) (0,-y,1/4;-mx,0,mz) (1/2,-y+1/2,-1/4;mx,0,mz) (0,y,3/4;mx,0,-mz) (0,-y,3/4;-mx,0,-mz) (1/2,y+1/2,-1/4;-mx,0,mz) 8g (x,0,1/4;0,my,mz) (x+1/2,1/2,1/4;0,-my,-mz) (-x+1/2,1/2,1/4;0,my,-mz) (-x,0,1/4;0,-my,mz) (-x+1/2,1/2,-1/4;0,my,mz) (-x,0,3/4;0,-my,-mz) (x,0,3/4;0,my,-mz) (x+1/2,1/2,-1/4;0,-my,mz) 4f (1/4,3/4,0;mx,my,0) (3/4,-1/4,1/2;mx,-my,0) (1/4,5/4,1/2;-mx,my,0) (-1/4,-3/4,0;-mx,-my,0) 4e (1/4,1/4,0;mx,my,0) (3/4,1/4,1/2;mx,-my,0) (1/4,3/4,1/2;-mx,my,0) (-1/4,-1/4,0;-mx,-my,0) 4d (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) (1/2,0,0;0,0,0) (0,1/2,1/2;0,0,0) 4c (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) (1/2,1/2,0;0,0,0) (0,0,1/2;0,0,0) 4b (0,1/2,1/4;0,0,mz) (1/2,0,1/4;0,0,-mz) (1/2,0,-1/4;0,0,mz) (0,1/2,3/4;0,0,-mz) 4a (0,0,1/4;0,0,mz) (1/2,1/2,1/4;0,0,-mz) (1/2,1/2,-1/4;0,0,mz) (0,0,3/4;0,0,-mz) ---------- UNI: 56.376 Pccn.1'_I[Ibam] BNS: 56.376 P_Iccn OG: 72.10.639 I_Pbam' OG-BNS transformation: (1/4,1/4,1/4;a,b,c) Operators (BNS): (1|0,0,0) (2x|1/2,0,1/2) (2y|0,1/2,1/2) (2z|1/2,1/2,0) (-1|0,0,0) (mx|1/2,0,1/2) (my|0,1/2,1/2) (mz|1/2,1/2,0) (1|1/2,1/2,1/2)' (2x|0,1/2,0)' (2y|1/2,0,0)' (2z|0,0,1/2)' (-1|1/2,1/2,1/2)' (mx|0,1/2,0)' (my|1/2,0,0)' (mz|0,0,1/2)' Wyckoff positions (BNS): 16k (x,y,z;mx,my,mz) (x+1/2,-y,-z+1/2;mx,-my,-mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x,-y+1/2,-z;-mx,my,mz) (-x+1/2,y,-z;mx,-my,mz) (-x,-y,z+1/2;mx,my,-mz) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (-x,y+1/2,z;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) (x,y,-z+1/2;mx,my,-mz) 8j (x,y,3/4;mx,my,0) (x+1/2,-y,3/4;mx,-my,0) (-x,y+1/2,3/4;-mx,my,0) (-x+1/2,-y+1/2,3/4;-mx,-my,0) (-x,-y,1/4;mx,my,0) (-x+1/2,y,1/4;mx,-my,0) (x,-y+1/2,1/4;-mx,my,0) (x+1/2,y+1/2,1/4;-mx,-my,0) 8i (3/4,1/4,z;0,0,mz) (1/4,3/4,-z+1/2;0,0,-mz) (1/4,3/4,-z;0,0,mz) (3/4,1/4,z+1/2;0,0,-mz) (1/4,3/4,z+1/2;0,0,-mz) (3/4,1/4,-z;0,0,mz) (3/4,1/4,-z+1/2;0,0,-mz) (1/4,3/4,z;0,0,mz) 8h (3/4,3/4,z;0,0,mz) (1/4,1/4,-z+1/2;0,0,-mz) (1/4,1/4,-z;0,0,mz) (3/4,3/4,z+1/2;0,0,-mz) (1/4,1/4,z+1/2;0,0,-mz) (3/4,3/4,-z;0,0,mz) (3/4,3/4,-z+1/2;0,0,-mz) (1/4,1/4,z;0,0,mz) 8g (3/4,y,0;mx,0,mz) (1/4,-y,1/2;mx,0,-mz) (1/4,y+1/2,1/2;-mx,0,-mz) (3/4,-y+1/2,0;-mx,0,mz) (1/4,-y,0;mx,0,mz) (3/4,y,1/2;mx,0,-mz) (3/4,-y+1/2,1/2;-mx,0,-mz) (1/4,y+1/2,0;-mx,0,mz) 8f (x,3/4,0;0,my,mz) (x+1/2,1/4,1/2;0,-my,-mz) (-x,1/4,1/2;0,my,-mz) (-x+1/2,3/4,0;0,-my,mz) (-x,1/4,0;0,my,mz) (-x+1/2,3/4,1/2;0,-my,-mz) (x,3/4,1/2;0,my,-mz) (x+1/2,1/4,0;0,-my,mz) 8e (0,0,0;mx,my,mz) (1/2,0,1/2;mx,-my,-mz) (0,1/2,1/2;-mx,my,-mz) (1/2,1/2,0;-mx,-my,mz) (1/2,1/2,1/2;-mx,-my,-mz) (0,1/2,0;-mx,my,mz) (1/2,0,0;mx,-my,mz) (0,0,1/2;mx,my,-mz) 4d (1/4,3/4,3/4;0,0,0) (3/4,1/4,3/4;0,0,0) (3/4,1/4,1/4;0,0,0) (1/4,3/4,1/4;0,0,0) 4c (3/4,3/4,3/4;0,0,0) (1/4,1/4,3/4;0,0,0) (1/4,1/4,1/4;0,0,0) (3/4,3/4,1/4;0,0,0) 4b (1/4,3/4,0;0,0,mz) (3/4,1/4,1/2;0,0,-mz) (3/4,1/4,0;0,0,mz) (1/4,3/4,1/2;0,0,-mz) 4a (3/4,3/4,0;0,0,mz) (1/4,1/4,1/2;0,0,-mz) (1/4,1/4,0;0,0,mz) (3/4,3/4,1/2;0,0,-mz) Operators (OG): (1|0,0,0) (2x|1/2,1/2,1) (2y|1/2,1/2,1) (2z|0,0,0) (-1|1/2,1/2,1/2) (mx|0,0,1/2) (my|0,0,1/2) (mz|1/2,1/2,1/2) (1|1/2,1/2,1/2)' (2x|0,0,1/2)' (2y|0,0,1/2)' (2z|1/2,1/2,1/2)' (-1|0,0,0)' (mx|1/2,1/2,1)' (my|1/2,1/2,1)' (mz|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16k (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z+1;mx,-my,-mz) (-x+1/2,y+1/2,-z+1;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,-y+1/2,-z+1/2;mx,my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z+1/2;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,y+1/2,z+1;-mx,my,mz) (x+1/2,-y+1/2,z+1;mx,-my,mz) (x,y,-z;mx,my,-mz) 8j (x,y,0;mx,my,0) (x+1/2,-y+1/2,1;mx,-my,0) (-x+1/2,y+1/2,1;-mx,my,0) (-x,-y,0;-mx,-my,0) (-x+1/2,-y+1/2,1/2;mx,my,0) (-x,y,1/2;mx,-my,0) (x,-y,1/2;-mx,my,0) (x+1/2,y+1/2,1/2;-mx,-my,0) 8i (0,1/2,z;0,0,mz) (1/2,0,-z+1;0,0,-mz) (1/2,0,-z+1/2;0,0,mz) (0,1/2,z+1/2;0,0,-mz) (1/2,1,z+1/2;0,0,-mz) (0,-1/2,-z+1/2;0,0,mz) (0,-1/2,-z;0,0,-mz) (1/2,1,z+1;0,0,mz) 8h (0,0,z;0,0,mz) (1/2,1/2,-z+1;0,0,-mz) (1/2,1/2,-z+1/2;0,0,mz) (0,0,z+1/2;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) (0,0,-z+1/2;0,0,mz) (0,0,-z;0,0,-mz) (1/2,1/2,z+1;0,0,mz) 8g (0,y,1/4;mx,0,mz) (1/2,-y+1/2,3/4;mx,0,-mz) (1/2,y+1/2,3/4;-mx,0,-mz) (0,-y,1/4;-mx,0,mz) (1/2,-y+1/2,1/4;mx,0,mz) (0,y,3/4;mx,0,-mz) (0,-y,3/4;-mx,0,-mz) (1/2,y+1/2,1/4;-mx,0,mz) 8f (x,0,1/4;0,my,mz) (x+1/2,1/2,3/4;0,-my,-mz) (-x+1/2,1/2,3/4;0,my,-mz) (-x,0,1/4;0,-my,mz) (-x+1/2,1/2,1/4;0,my,mz) (-x,0,3/4;0,-my,-mz) (x,0,3/4;0,my,-mz) (x+1/2,1/2,1/4;0,-my,mz) 8e (1/4,1/4,1/4;mx,my,mz) (3/4,1/4,3/4;mx,-my,-mz) (1/4,3/4,3/4;-mx,my,-mz) (-1/4,-1/4,1/4;-mx,-my,mz) (3/4,3/4,3/4;-mx,-my,-mz) (1/4,-1/4,1/4;-mx,my,mz) (-1/4,1/4,1/4;mx,-my,mz) (1/4,1/4,3/4;mx,my,-mz) 4d (1/2,0,0;0,0,0) (1,1/2,1;0,0,0) (0,1/2,1/2;0,0,0) (-1/2,0,1/2;0,0,0) 4c (0,0,0;0,0,0) (1/2,1/2,1;0,0,0) (1/2,1/2,1/2;0,0,0) (0,0,1/2;0,0,0) 4b (1/2,0,1/4;0,0,mz) (1,1/2,3/4;0,0,-mz) (0,1/2,1/4;0,0,mz) (-1/2,0,3/4;0,0,-mz) 4a (0,0,1/4;0,0,mz) (1/2,1/2,3/4;0,0,-mz) (1/2,1/2,1/4;0,0,mz) (0,0,3/4;0,0,-mz) ---------- UNI: 57.377 Pbcm.1 BNS: 57.377 Pbcm OG: 57.1.458 Pbcm Operators: (1|0,0,0) (2x|0,1/2,0) (2y|0,1/2,1/2) (2z|0,0,1/2) (-1|0,0,0) (mx|0,1/2,0) (my|0,1/2,1/2) (mz|0,0,1/2) Wyckoff positions: 8e (x,y,z;mx,my,mz) (x,-y+1/2,-z;mx,-my,-mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y+1/2,z;mx,-my,-mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x,y,-z+1/2;-mx,-my,mz) 4d (x,y,1/4;0,0,mz) (x,-y+1/2,3/4;0,0,-mz) (-x,y+1/2,1/4;0,0,-mz) (-x,-y,3/4;0,0,mz) 4c (x,1/4,0;mx,0,0) (-x,3/4,1/2;-mx,0,0) (-x,3/4,0;mx,0,0) (x,1/4,1/2;-mx,0,0) 4b (1/2,0,0;mx,my,mz) (1/2,1/2,0;mx,-my,-mz) (1/2,1/2,1/2;-mx,my,-mz) (1/2,0,1/2;-mx,-my,mz) 4a (0,0,0;mx,my,mz) (0,1/2,0;mx,-my,-mz) (0,1/2,1/2;-mx,my,-mz) (0,0,1/2;-mx,-my,mz) ---------- UNI: 57.378 Pbcm.1' BNS: 57.378 Pbcm1' OG: 57.2.459 Pbcm1' Operators: (1|0,0,0) (2x|0,1/2,0) (2y|0,1/2,1/2) (2z|0,0,1/2) (-1|0,0,0) (mx|0,1/2,0) (my|0,1/2,1/2) (mz|0,0,1/2) (1|0,0,0)' (2x|0,1/2,0)' (2y|0,1/2,1/2)' (2z|0,0,1/2)' (-1|0,0,0)' (mx|0,1/2,0)' (my|0,1/2,1/2)' (mz|0,0,1/2)' Wyckoff positions: 8e (x,y,z;0,0,0) (x,-y+1/2,-z;0,0,0) (-x,y+1/2,-z+1/2;0,0,0) (-x,-y,z+1/2;0,0,0) (-x,-y,-z;0,0,0) (-x,y+1/2,z;0,0,0) (x,-y+1/2,z+1/2;0,0,0) (x,y,-z+1/2;0,0,0) 4d (x,y,1/4;0,0,0) (x,-y+1/2,3/4;0,0,0) (-x,y+1/2,1/4;0,0,0) (-x,-y,3/4;0,0,0) 4c (x,1/4,0;0,0,0) (-x,3/4,1/2;0,0,0) (-x,3/4,0;0,0,0) (x,1/4,1/2;0,0,0) 4b (1/2,0,0;0,0,0) (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) 4a (0,0,0;0,0,0) (0,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) (0,0,1/2;0,0,0) ---------- UNI: 57.379 Pb'cm BNS: 57.379 Pb'cm OG: 57.3.460 Pb'cm Operators: (1|0,0,0) (2x|0,1/2,0) (2y|0,1/2,1/2)' (2z|0,0,1/2)' (-1|0,0,0)' (mx|0,1/2,0)' (my|0,1/2,1/2) (mz|0,0,1/2) Wyckoff positions: 8e (x,y,z;mx,my,mz) (x,-y+1/2,-z;mx,-my,-mz) (-x,y+1/2,-z+1/2;mx,-my,mz) (-x,-y,z+1/2;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x,y+1/2,z;-mx,my,mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x,y,-z+1/2;-mx,-my,mz) 4d (x,y,1/4;0,0,mz) (x,-y+1/2,3/4;0,0,-mz) (-x,y+1/2,1/4;0,0,mz) (-x,-y,3/4;0,0,-mz) 4c (x,1/4,0;mx,0,0) (-x,3/4,1/2;mx,0,0) (-x,3/4,0;-mx,0,0) (x,1/4,1/2;-mx,0,0) 4b (1/2,0,0;0,0,0) (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) 4a (0,0,0;0,0,0) (0,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) (0,0,1/2;0,0,0) ---------- UNI: 57.380 Pbc'm BNS: 57.380 Pbc'm OG: 57.4.461 Pbc'm Operators: (1|0,0,0) (2x|0,1/2,0)' (2y|0,1/2,1/2) (2z|0,0,1/2)' (-1|0,0,0)' (mx|0,1/2,0) (my|0,1/2,1/2)' (mz|0,0,1/2) Wyckoff positions: 8e (x,y,z;mx,my,mz) (x,-y+1/2,-z;-mx,my,mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,z+1/2;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x,y+1/2,z;mx,-my,-mz) (x,-y+1/2,z+1/2;mx,-my,mz) (x,y,-z+1/2;-mx,-my,mz) 4d (x,y,1/4;0,0,mz) (x,-y+1/2,3/4;0,0,mz) (-x,y+1/2,1/4;0,0,-mz) (-x,-y,3/4;0,0,-mz) 4c (x,1/4,0;0,my,mz) (-x,3/4,1/2;0,my,-mz) (-x,3/4,0;0,-my,-mz) (x,1/4,1/2;0,-my,mz) 4b (1/2,0,0;0,0,0) (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) 4a (0,0,0;0,0,0) (0,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) (0,0,1/2;0,0,0) ---------- UNI: 57.381 Pbcm' BNS: 57.381 Pbcm' OG: 57.5.462 Pbcm' Operators: (1|0,0,0) (2x|0,1/2,0)' (2y|0,1/2,1/2)' (2z|0,0,1/2) (-1|0,0,0)' (mx|0,1/2,0) (my|0,1/2,1/2) (mz|0,0,1/2)' Wyckoff positions: 8e (x,y,z;mx,my,mz) (x,-y+1/2,-z;-mx,my,mz) (-x,y+1/2,-z+1/2;mx,-my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x,y+1/2,z;mx,-my,-mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x,y,-z+1/2;mx,my,-mz) 4d (x,y,1/4;mx,my,0) (x,-y+1/2,3/4;-mx,my,0) (-x,y+1/2,1/4;mx,-my,0) (-x,-y,3/4;-mx,-my,0) 4c (x,1/4,0;0,my,mz) (-x,3/4,1/2;0,-my,mz) (-x,3/4,0;0,-my,-mz) (x,1/4,1/2;0,my,-mz) 4b (1/2,0,0;0,0,0) (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) 4a (0,0,0;0,0,0) (0,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) (0,0,1/2;0,0,0) ---------- UNI: 57.382 Pb'c'm BNS: 57.382 Pb'c'm OG: 57.6.463 Pb'c'm Operators: (1|0,0,0) (2x|0,1/2,0)' (2y|0,1/2,1/2)' (2z|0,0,1/2) (-1|0,0,0) (mx|0,1/2,0)' (my|0,1/2,1/2)' (mz|0,0,1/2) Wyckoff positions: 8e (x,y,z;mx,my,mz) (x,-y+1/2,-z;-mx,my,mz) (-x,y+1/2,-z+1/2;mx,-my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y+1/2,z;-mx,my,mz) (x,-y+1/2,z+1/2;mx,-my,mz) (x,y,-z+1/2;-mx,-my,mz) 4d (x,y,1/4;0,0,mz) (x,-y+1/2,3/4;0,0,mz) (-x,y+1/2,1/4;0,0,mz) (-x,-y,3/4;0,0,mz) 4c (x,1/4,0;0,my,mz) (-x,3/4,1/2;0,-my,mz) (-x,3/4,0;0,my,mz) (x,1/4,1/2;0,-my,mz) 4b (1/2,0,0;mx,my,mz) (1/2,1/2,0;-mx,my,mz) (1/2,1/2,1/2;mx,-my,mz) (1/2,0,1/2;-mx,-my,mz) 4a (0,0,0;mx,my,mz) (0,1/2,0;-mx,my,mz) (0,1/2,1/2;mx,-my,mz) (0,0,1/2;-mx,-my,mz) ---------- UNI: 57.383 Pbc'm' BNS: 57.383 Pbc'm' OG: 57.7.464 Pbc'm' Operators: (1|0,0,0) (2x|0,1/2,0) (2y|0,1/2,1/2)' (2z|0,0,1/2)' (-1|0,0,0) (mx|0,1/2,0) (my|0,1/2,1/2)' (mz|0,0,1/2)' Wyckoff positions: 8e (x,y,z;mx,my,mz) (x,-y+1/2,-z;mx,-my,-mz) (-x,y+1/2,-z+1/2;mx,-my,mz) (-x,-y,z+1/2;mx,my,-mz) (-x,-y,-z;mx,my,mz) (-x,y+1/2,z;mx,-my,-mz) (x,-y+1/2,z+1/2;mx,-my,mz) (x,y,-z+1/2;mx,my,-mz) 4d (x,y,1/4;mx,my,0) (x,-y+1/2,3/4;mx,-my,0) (-x,y+1/2,1/4;mx,-my,0) (-x,-y,3/4;mx,my,0) 4c (x,1/4,0;mx,0,0) (-x,3/4,1/2;mx,0,0) (-x,3/4,0;mx,0,0) (x,1/4,1/2;mx,0,0) 4b (1/2,0,0;mx,my,mz) (1/2,1/2,0;mx,-my,-mz) (1/2,1/2,1/2;mx,-my,mz) (1/2,0,1/2;mx,my,-mz) 4a (0,0,0;mx,my,mz) (0,1/2,0;mx,-my,-mz) (0,1/2,1/2;mx,-my,mz) (0,0,1/2;mx,my,-mz) ---------- UNI: 57.384 Pb'cm' BNS: 57.384 Pb'cm' OG: 57.8.465 Pb'cm' Operators: (1|0,0,0) (2x|0,1/2,0)' (2y|0,1/2,1/2) (2z|0,0,1/2)' (-1|0,0,0) (mx|0,1/2,0)' (my|0,1/2,1/2) (mz|0,0,1/2)' Wyckoff positions: 8e (x,y,z;mx,my,mz) (x,-y+1/2,-z;-mx,my,mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,z+1/2;mx,my,-mz) (-x,-y,-z;mx,my,mz) (-x,y+1/2,z;-mx,my,mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x,y,-z+1/2;mx,my,-mz) 4d (x,y,1/4;mx,my,0) (x,-y+1/2,3/4;-mx,my,0) (-x,y+1/2,1/4;-mx,my,0) (-x,-y,3/4;mx,my,0) 4c (x,1/4,0;0,my,mz) (-x,3/4,1/2;0,my,-mz) (-x,3/4,0;0,my,mz) (x,1/4,1/2;0,my,-mz) 4b (1/2,0,0;mx,my,mz) (1/2,1/2,0;-mx,my,mz) (1/2,1/2,1/2;-mx,my,-mz) (1/2,0,1/2;mx,my,-mz) 4a (0,0,0;mx,my,mz) (0,1/2,0;-mx,my,mz) (0,1/2,1/2;-mx,my,-mz) (0,0,1/2;mx,my,-mz) ---------- UNI: 57.385 Pb'c'm' BNS: 57.385 Pb'c'm' OG: 57.9.466 Pb'c'm' Operators: (1|0,0,0) (2x|0,1/2,0) (2y|0,1/2,1/2) (2z|0,0,1/2) (-1|0,0,0)' (mx|0,1/2,0)' (my|0,1/2,1/2)' (mz|0,0,1/2)' Wyckoff positions: 8e (x,y,z;mx,my,mz) (x,-y+1/2,-z;mx,-my,-mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x,y+1/2,z;-mx,my,mz) (x,-y+1/2,z+1/2;mx,-my,mz) (x,y,-z+1/2;mx,my,-mz) 4d (x,y,1/4;mx,my,0) (x,-y+1/2,3/4;mx,-my,0) (-x,y+1/2,1/4;-mx,my,0) (-x,-y,3/4;-mx,-my,0) 4c (x,1/4,0;mx,0,0) (-x,3/4,1/2;-mx,0,0) (-x,3/4,0;-mx,0,0) (x,1/4,1/2;mx,0,0) 4b (1/2,0,0;0,0,0) (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) 4a (0,0,0;0,0,0) (0,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) (0,0,1/2;0,0,0) ---------- UNI: 57.386 Pbcm.1'_a[Pbcm] BNS: 57.386 P_abcm OG: 57.10.467 P_2abcm OG-BNS transformation: (0,0,0;2a,b,c) Operators (BNS): (1|0,0,0) (2x|0,1/2,0) (2y|0,1/2,1/2) (2z|0,0,1/2) (-1|0,0,0) (mx|0,1/2,0) (my|0,1/2,1/2) (mz|0,0,1/2) (1|1/2,0,0)' (2x|1/2,1/2,0)' (2y|1/2,1/2,1/2)' (2z|1/2,0,1/2)' (-1|1/2,0,0)' (mx|1/2,1/2,0)' (my|1/2,1/2,1/2)' (mz|1/2,0,1/2)' Wyckoff positions (BNS): 16e (x,y,z;mx,my,mz) (x,-y+1/2,-z;mx,-my,-mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y+1/2,z;mx,-my,-mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x,y,-z+1/2;-mx,-my,mz) (x+1/2,y,z;-mx,-my,-mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x+1/2,-y,-z;-mx,-my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (x+1/2,y,-z+1/2;mx,my,-mz) 8d (x,y,1/4;0,0,mz) (x,-y+1/2,3/4;0,0,-mz) (-x,y+1/2,1/4;0,0,-mz) (-x,-y,3/4;0,0,mz) (x+1/2,y,1/4;0,0,-mz) (x+1/2,-y+1/2,3/4;0,0,mz) (-x+1/2,y+1/2,1/4;0,0,mz) (-x+1/2,-y,3/4;0,0,-mz) 8c (x,1/4,0;mx,0,0) (-x,3/4,1/2;-mx,0,0) (-x,3/4,0;mx,0,0) (x,1/4,1/2;-mx,0,0) (x+1/2,1/4,0;-mx,0,0) (-x+1/2,3/4,1/2;mx,0,0) (-x+1/2,3/4,0;-mx,0,0) (x+1/2,1/4,1/2;mx,0,0) 8b (1/4,0,0;0,0,0) (1/4,1/2,0;0,0,0) (3/4,1/2,1/2;0,0,0) (3/4,0,1/2;0,0,0) (3/4,0,0;0,0,0) (3/4,1/2,0;0,0,0) (1/4,1/2,1/2;0,0,0) (1/4,0,1/2;0,0,0) 8a (0,0,0;mx,my,mz) (0,1/2,0;mx,-my,-mz) (0,1/2,1/2;-mx,my,-mz) (0,0,1/2;-mx,-my,mz) (1/2,0,0;-mx,-my,-mz) (1/2,1/2,0;-mx,my,mz) (1/2,1/2,1/2;mx,-my,mz) (1/2,0,1/2;mx,my,-mz) Operators (OG): (1|0,0,0) (2x|0,1/2,0) (2y|0,1/2,1/2) (2z|0,0,1/2) (-1|0,0,0) (mx|0,1/2,0) (my|0,1/2,1/2) (mz|0,0,1/2) (1|1,0,0)' (2x|1,1/2,0)' (2y|1,1/2,1/2)' (2z|1,0,1/2)' (-1|1,0,0)' (mx|1,1/2,0)' (my|1,1/2,1/2)' (mz|1,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,1,0)+ (0,0,1)+ 16e (x,y,z;mx,my,mz) (x,-y+1/2,-z;mx,-my,-mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y+1/2,z;mx,-my,-mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x,y,-z+1/2;-mx,-my,mz) (x+1,y,z;-mx,-my,-mz) (x+1,-y+1/2,-z;-mx,my,mz) (-x+1,y+1/2,-z+1/2;mx,-my,mz) (-x+1,-y,z+1/2;mx,my,-mz) (-x+1,-y,-z;-mx,-my,-mz) (-x+1,y+1/2,z;-mx,my,mz) (x+1,-y+1/2,z+1/2;mx,-my,mz) (x+1,y,-z+1/2;mx,my,-mz) 8d (x,y,1/4;0,0,mz) (x,-y+1/2,-1/4;0,0,-mz) (-x,y+1/2,1/4;0,0,-mz) (-x,-y,3/4;0,0,mz) (x+1,y,1/4;0,0,-mz) (x+1,-y+1/2,-1/4;0,0,mz) (-x+1,y+1/2,1/4;0,0,mz) (-x+1,-y,3/4;0,0,-mz) 8c (x,1/4,0;mx,0,0) (-x,3/4,1/2;-mx,0,0) (-x,-1/4,0;mx,0,0) (x,1/4,1/2;-mx,0,0) (x+1,1/4,0;-mx,0,0) (-x+1,3/4,1/2;mx,0,0) (-x+1,-1/4,0;-mx,0,0) (x+1,1/4,1/2;mx,0,0) 8b (1/2,0,0;0,0,0) (1/2,1/2,0;0,0,0) (-1/2,1/2,1/2;0,0,0) (-1/2,0,1/2;0,0,0) (-1/2,0,0;0,0,0) (-1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) 8a (0,0,0;mx,my,mz) (0,1/2,0;mx,-my,-mz) (0,1/2,1/2;-mx,my,-mz) (0,0,1/2;-mx,-my,mz) (1,0,0;-mx,-my,-mz) (1,1/2,0;-mx,my,mz) (1,1/2,1/2;mx,-my,mz) (1,0,1/2;mx,my,-mz) ---------- UNI: 57.387 Pbcm.1'_b[Pmcm] BNS: 57.387 P_bbcm OG: 51.17.403 P_2cmm'a OG-BNS transformation: (0,0,1/2;b,2c,a) Operators (BNS): (1|0,0,0) (2x|0,1/2,0) (2y|0,1/2,1/2) (2z|0,0,1/2) (-1|0,0,0) (mx|0,1/2,0) (my|0,1/2,1/2) (mz|0,0,1/2) (1|0,1/2,0)' (2x|0,0,0)' (2y|0,0,1/2)' (2z|0,1/2,1/2)' (-1|0,1/2,0)' (mx|0,0,0)' (my|0,0,1/2)' (mz|0,1/2,1/2)' Wyckoff positions (BNS): 16l (x,y,z;mx,my,mz) (x,-y+1/2,-z;mx,-my,-mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y+1/2,z;mx,-my,-mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x,y,-z+1/2;-mx,-my,mz) (x,y+1/2,z;-mx,-my,-mz) (x,-y,-z;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y+1/2,z+1/2;mx,my,-mz) (-x,-y+1/2,-z;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (x,y+1/2,-z+1/2;mx,my,-mz) 8k (x,y,1/4;0,0,mz) (x,-y+1/2,3/4;0,0,-mz) (-x,y+1/2,1/4;0,0,-mz) (-x,-y,3/4;0,0,mz) (x,y+1/2,1/4;0,0,-mz) (x,-y,3/4;0,0,mz) (-x,y,1/4;0,0,mz) (-x,-y+1/2,3/4;0,0,-mz) 8j (1/2,y,z;0,my,mz) (1/2,-y+1/2,-z;0,-my,-mz) (1/2,y+1/2,-z+1/2;0,my,-mz) (1/2,-y,z+1/2;0,-my,mz) (1/2,-y,-z;0,my,mz) (1/2,y+1/2,z;0,-my,-mz) (1/2,-y+1/2,z+1/2;0,my,-mz) (1/2,y,-z+1/2;0,-my,mz) 8i (0,y,z;0,my,mz) (0,-y+1/2,-z;0,-my,-mz) (0,y+1/2,-z+1/2;0,my,-mz) (0,-y,z+1/2;0,-my,mz) (0,-y,-z;0,my,mz) (0,y+1/2,z;0,-my,-mz) (0,-y+1/2,z+1/2;0,my,-mz) (0,y,-z+1/2;0,-my,mz) 8h (x,0,0;0,my,mz) (x,1/2,0;0,-my,-mz) (-x,1/2,1/2;0,my,-mz) (-x,0,1/2;0,-my,mz) (-x,0,0;0,my,mz) (-x,1/2,0;0,-my,-mz) (x,1/2,1/2;0,my,-mz) (x,0,1/2;0,-my,mz) 8g (x,3/4,0;mx,0,0) (-x,1/4,1/2;-mx,0,0) (-x,1/4,0;mx,0,0) (x,3/4,1/2;-mx,0,0) (x,1/4,0;-mx,0,0) (-x,3/4,1/2;mx,0,0) (-x,3/4,0;-mx,0,0) (x,1/4,1/2;mx,0,0) 4f (1/2,y,1/4;0,0,mz) (1/2,-y+1/2,3/4;0,0,-mz) (1/2,y+1/2,1/4;0,0,-mz) (1/2,-y,3/4;0,0,mz) 4e (0,y,1/4;0,0,mz) (0,-y+1/2,3/4;0,0,-mz) (0,y+1/2,1/4;0,0,-mz) (0,-y,3/4;0,0,mz) 4d (1/2,0,0;0,my,mz) (1/2,1/2,0;0,-my,-mz) (1/2,1/2,1/2;0,my,-mz) (1/2,0,1/2;0,-my,mz) 4c (0,0,0;0,my,mz) (0,1/2,0;0,-my,-mz) (0,1/2,1/2;0,my,-mz) (0,0,1/2;0,-my,mz) 4b (1/2,3/4,0;0,0,0) (1/2,1/4,1/2;0,0,0) (1/2,1/4,0;0,0,0) (1/2,3/4,1/2;0,0,0) 4a (0,3/4,0;0,0,0) (0,1/4,1/2;0,0,0) (0,1/4,0;0,0,0) (0,3/4,1/2;0,0,0) Operators (OG): (1|0,0,0) (2y|0,0,0) (2z|1/2,0,1) (2x|1/2,0,1) (-1|0,0,1) (my|0,0,1) (mz|1/2,0,0) (mx|1/2,0,0) (1|0,0,1)' (2y|0,0,1)' (2z|1/2,0,0)' (2x|1/2,0,0)' (-1|0,0,0)' (my|0,0,0)' (mz|1/2,0,1)' (mx|1/2,0,1)' Wyckoff positions (OG): (0,0,0)+ (0,1,0)+ (0,0,2)+ (1,0,0)+ 16l (x,y,z;mx,my,mz) (-x,y,-z;-mx,my,-mz) (-x+1/2,-y,z+1;-mx,-my,mz) (x+1/2,-y,-z+1;mx,-my,-mz) (-x,-y,-z+1;mx,my,mz) (x,-y,z+1;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) (-x+1/2,y,z;mx,-my,-mz) (x,y,z+1;-mx,-my,-mz) (-x,y,-z+1;mx,-my,mz) (-x+1/2,-y,z;mx,my,-mz) (x+1/2,-y,-z;-mx,my,mz) (-x,-y,-z;-mx,-my,-mz) (x,-y,z;mx,-my,mz) (x+1/2,y,-z+1;mx,my,-mz) (-x+1/2,y,z+1;-mx,my,mz) 8k (1/4,y,z;mx,0,0) (-1/4,y,-z;-mx,0,0) (1/4,-y,z+1;-mx,0,0) (3/4,-y,-z+1;mx,0,0) (1/4,y,z+1;-mx,0,0) (-1/4,y,-z+1;mx,0,0) (1/4,-y,z;mx,0,0) (3/4,-y,-z;-mx,0,0) 8j (x,1/2,z;mx,0,mz) (-x,1/2,-z;-mx,0,-mz) (-x+1/2,-1/2,z+1;-mx,0,mz) (x+1/2,-1/2,-z+1;mx,0,-mz) (-x,-1/2,-z+1;mx,0,mz) (x,-1/2,z+1;-mx,0,-mz) (x+1/2,1/2,-z;-mx,0,mz) (-x+1/2,1/2,z;mx,0,-mz) 8i (x,0,z;mx,0,mz) (-x,0,-z;-mx,0,-mz) (-x+1/2,0,z+1;-mx,0,mz) (x+1/2,0,-z+1;mx,0,-mz) (-x,0,-z+1;mx,0,mz) (x,0,z+1;-mx,0,-mz) (x+1/2,0,-z;-mx,0,mz) (-x+1/2,0,z;mx,0,-mz) 8h (0,y,1/2;mx,0,mz) (0,y,-1/2;-mx,0,-mz) (1/2,-y,3/2;-mx,0,mz) (1/2,-y,1/2;mx,0,-mz) (0,-y,1/2;mx,0,mz) (0,-y,3/2;-mx,0,-mz) (1/2,y,-1/2;-mx,0,mz) (1/2,y,1/2;mx,0,-mz) 8g (0,y,0;0,my,0) (1/2,-y,1;0,-my,0) (0,-y,1;0,my,0) (1/2,y,0;0,-my,0) (0,y,1;0,-my,0) (1/2,-y,0;0,my,0) (0,-y,0;0,-my,0) (1/2,y,1;0,my,0) 4f (1/4,1/2,z;mx,0,0) (-1/4,1/2,-z;-mx,0,0) (1/4,-1/2,z+1;-mx,0,0) (3/4,-1/2,-z+1;mx,0,0) 4e (1/4,0,z;mx,0,0) (-1/4,0,-z;-mx,0,0) (1/4,0,z+1;-mx,0,0) (3/4,0,-z+1;mx,0,0) 4d (0,1/2,1/2;mx,0,mz) (0,1/2,-1/2;-mx,0,-mz) (1/2,-1/2,3/2;-mx,0,mz) (1/2,-1/2,1/2;mx,0,-mz) 4c (0,0,1/2;mx,0,mz) (0,0,-1/2;-mx,0,-mz) (1/2,0,3/2;-mx,0,mz) (1/2,0,1/2;mx,0,-mz) 4b (0,1/2,0;0,0,0) (1/2,-1/2,1;0,0,0) (0,-1/2,1;0,0,0) (1/2,1/2,0;0,0,0) 4a (0,0,0;0,0,0) (1/2,0,1;0,0,0) (0,0,1;0,0,0) (1/2,0,0;0,0,0) ---------- UNI: 57.388 Pbcm.1'_c[Pbmm] BNS: 57.388 P_cbcm OG: 51.13.399 P_2bm'ma OG-BNS transformation: (0,1/2,0;c,a,2b) Operators (BNS): (1|0,0,0) (2x|0,1/2,0) (2y|0,1/2,1/2) (2z|0,0,1/2) (-1|0,0,0) (mx|0,1/2,0) (my|0,1/2,1/2) (mz|0,0,1/2) (1|0,0,1/2)' (2x|0,1/2,1/2)' (2y|0,1/2,0)' (2z|0,0,0)' (-1|0,0,1/2)' (mx|0,1/2,1/2)' (my|0,1/2,0)' (mz|0,0,0)' Wyckoff positions (BNS): 16l (x,y,z;mx,my,mz) (x,-y+1/2,-z;mx,-my,-mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y+1/2,z;mx,-my,-mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x,y,-z+1/2;-mx,-my,mz) (x,y,z+1/2;-mx,-my,-mz) (x,-y+1/2,-z+1/2;-mx,my,mz) (-x,y+1/2,-z;mx,-my,mz) (-x,-y,z;mx,my,-mz) (-x,-y,-z+1/2;-mx,-my,-mz) (-x,y+1/2,z+1/2;-mx,my,mz) (x,-y+1/2,z;mx,-my,mz) (x,y,-z;mx,my,-mz) 8k (x,1/4,z;mx,0,mz) (x,1/4,-z;mx,0,-mz) (-x,3/4,-z+1/2;-mx,0,-mz) (-x,3/4,z+1/2;-mx,0,mz) (-x,3/4,-z;mx,0,mz) (-x,3/4,z;mx,0,-mz) (x,1/4,z+1/2;-mx,0,-mz) (x,1/4,-z+1/2;-mx,0,mz) 8j (x,y,0;mx,my,0) (x,-y+1/2,0;mx,-my,0) (-x,y+1/2,1/2;-mx,my,0) (-x,-y,1/2;-mx,-my,0) (-x,-y,0;mx,my,0) (-x,y+1/2,0;mx,-my,0) (x,-y+1/2,1/2;-mx,my,0) (x,y,1/2;-mx,-my,0) 8i (x,y,3/4;0,0,mz) (x,-y+1/2,1/4;0,0,-mz) (-x,y+1/2,3/4;0,0,-mz) (-x,-y,1/4;0,0,mz) (x,y,1/4;0,0,-mz) (x,-y+1/2,3/4;0,0,mz) (-x,y+1/2,1/4;0,0,mz) (-x,-y,3/4;0,0,-mz) 8h (1/2,0,z;mx,my,0) (1/2,1/2,-z;mx,-my,0) (1/2,1/2,-z+1/2;-mx,my,0) (1/2,0,z+1/2;-mx,-my,0) (1/2,0,-z;mx,my,0) (1/2,1/2,z;mx,-my,0) (1/2,1/2,z+1/2;-mx,my,0) (1/2,0,-z+1/2;-mx,-my,0) 8g (0,0,z;mx,my,0) (0,1/2,-z;mx,-my,0) (0,1/2,-z+1/2;-mx,my,0) (0,0,z+1/2;-mx,-my,0) (0,0,-z;mx,my,0) (0,1/2,z;mx,-my,0) (0,1/2,z+1/2;-mx,my,0) (0,0,-z+1/2;-mx,-my,0) 4f (x,1/4,0;mx,0,0) (-x,3/4,1/2;-mx,0,0) (-x,3/4,0;mx,0,0) (x,1/4,1/2;-mx,0,0) 4e (x,1/4,3/4;0,0,mz) (x,1/4,1/4;0,0,-mz) (-x,3/4,3/4;0,0,-mz) (-x,3/4,1/4;0,0,mz) 4d (1/2,0,0;mx,my,0) (1/2,1/2,0;mx,-my,0) (1/2,1/2,1/2;-mx,my,0) (1/2,0,1/2;-mx,-my,0) 4c (1/2,0,3/4;0,0,0) (1/2,1/2,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) (1/2,0,1/4;0,0,0) 4b (0,0,0;mx,my,0) (0,1/2,0;mx,-my,0) (0,1/2,1/2;-mx,my,0) (0,0,1/2;-mx,-my,0) 4a (0,0,3/4;0,0,0) (0,1/2,1/4;0,0,0) (0,1/2,3/4;0,0,0) (0,0,1/4;0,0,0) Operators (OG): (1|0,0,0) (2z|1/2,1,0) (2x|1/2,0,0) (2y|0,1,0) (-1|0,1,0) (mz|1/2,0,0) (mx|1/2,1,0) (my|0,0,0) (1|0,1,0)' (2z|1/2,0,0)' (2x|1/2,1,0)' (2y|0,0,0)' (-1|0,0,0)' (mz|1/2,1,0)' (mx|1/2,0,0)' (my|0,1,0)' Wyckoff positions (OG): (0,0,0)+ (0,0,1)+ (1,0,0)+ (0,2,0)+ 16l (x,y,z;mx,my,mz) (-x+1/2,-y+1,z;-mx,-my,mz) (x+1/2,-y,-z;mx,-my,-mz) (-x,y+1,-z;-mx,my,-mz) (-x,-y+1,-z;mx,my,mz) (x+1/2,y,-z;-mx,-my,mz) (-x+1/2,y+1,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y+1,z;-mx,-my,-mz) (-x+1/2,-y,z;mx,my,-mz) (x+1/2,-y+1,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (x+1/2,y+1,-z;mx,my,-mz) (-x+1/2,y,z;-mx,my,mz) (x,-y+1,z;mx,-my,mz) 8k (1/4,y,z;0,my,mz) (1/4,-y+1,z;0,-my,mz) (3/4,-y,-z;0,-my,-mz) (-1/4,y+1,-z;0,my,-mz) (-1/4,-y+1,-z;0,my,mz) (3/4,y,-z;0,-my,mz) (1/4,y+1,z;0,-my,-mz) (1/4,-y,z;0,my,-mz) 8j (x,1/2,z;mx,0,mz) (-x+1/2,1/2,z;-mx,0,mz) (x+1/2,-1/2,-z;mx,0,-mz) (-x,3/2,-z;-mx,0,-mz) (-x,1/2,-z;mx,0,mz) (x+1/2,1/2,-z;-mx,0,mz) (-x+1/2,3/2,z;mx,0,-mz) (x,-1/2,z;-mx,0,-mz) 8i (x,0,z;0,my,0) (-x+1/2,1,z;0,-my,0) (x+1/2,0,-z;0,-my,0) (-x,1,-z;0,my,0) (x,1,z;0,-my,0) (-x+1/2,0,z;0,my,0) (x+1/2,1,-z;0,my,0) (-x,0,-z;0,-my,0) 8h (0,y,1/2;mx,0,mz) (1/2,-y+1,1/2;-mx,0,mz) (1/2,-y,-1/2;mx,0,-mz) (0,y+1,-1/2;-mx,0,-mz) (0,-y+1,-1/2;mx,0,mz) (1/2,y,-1/2;-mx,0,mz) (1/2,y+1,1/2;mx,0,-mz) (0,-y,1/2;-mx,0,-mz) 8g (0,y,0;mx,0,mz) (1/2,-y+1,0;-mx,0,mz) (1/2,-y,0;mx,0,-mz) (0,y+1,0;-mx,0,-mz) (0,-y+1,0;mx,0,mz) (1/2,y,0;-mx,0,mz) (1/2,y+1,0;mx,0,-mz) (0,-y,0;-mx,0,-mz) 4f (1/4,1/2,z;0,0,mz) (3/4,-1/2,-z;0,0,-mz) (-1/4,1/2,-z;0,0,mz) (1/4,3/2,z;0,0,-mz) 4e (1/4,0,z;0,my,0) (1/4,1,z;0,-my,0) (3/4,0,-z;0,-my,0) (-1/4,1,-z;0,my,0) 4d (0,1/2,1/2;mx,0,mz) (1/2,1/2,1/2;-mx,0,mz) (1/2,-1/2,-1/2;mx,0,-mz) (0,3/2,-1/2;-mx,0,-mz) 4c (0,0,1/2;0,0,0) (1/2,1,1/2;0,0,0) (1/2,0,-1/2;0,0,0) (0,1,-1/2;0,0,0) 4b (0,1/2,0;mx,0,mz) (1/2,1/2,0;-mx,0,mz) (1/2,-1/2,0;mx,0,-mz) (0,3/2,0;-mx,0,-mz) 4a (0,0,0;0,0,0) (1/2,1,0;0,0,0) (1/2,0,0;0,0,0) (0,1,0;0,0,0) ---------- UNI: 57.389 Pbcm.1'_A[Acmm] BNS: 57.389 P_Abcm OG: 67.15.591 C_Pmma' OG-BNS transformation: (1/4,1/4,0;c,-b,a) Operators (BNS): (1|0,0,0) (2x|0,1/2,0) (2y|0,1/2,1/2) (2z|0,0,1/2) (-1|0,0,0) (mx|0,1/2,0) (my|0,1/2,1/2) (mz|0,0,1/2) (1|0,1/2,1/2)' (2x|0,0,1/2)' (2y|0,0,0)' (2z|0,1/2,0)' (-1|0,1/2,1/2)' (mx|0,0,1/2)' (my|0,0,0)' (mz|0,1/2,0)' Wyckoff positions (BNS): 16o (x,y,z;mx,my,mz) (x,-y+1/2,-z;mx,-my,-mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y+1/2,z;mx,-my,-mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x,y,-z+1/2;-mx,-my,mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y+1/2,z;mx,my,-mz) (-x,-y+1/2,-z+1/2;-mx,-my,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z;mx,-my,mz) (x,y+1/2,-z;mx,my,-mz) 8n (x,0,z;mx,0,mz) (x,1/2,-z;mx,0,-mz) (-x,1/2,-z+1/2;-mx,0,-mz) (-x,0,z+1/2;-mx,0,mz) (-x,0,-z;mx,0,mz) (-x,1/2,z;mx,0,-mz) (x,1/2,z+1/2;-mx,0,-mz) (x,0,-z+1/2;-mx,0,mz) 8m (x,y,3/4;0,0,mz) (x,-y+1/2,1/4;0,0,-mz) (-x,y+1/2,3/4;0,0,-mz) (-x,-y,1/4;0,0,mz) (x,y+1/2,1/4;0,0,-mz) (x,-y,3/4;0,0,mz) (-x,y,1/4;0,0,mz) (-x,-y+1/2,3/4;0,0,-mz) 8l (x,1/4,0;mx,0,0) (-x,3/4,1/2;-mx,0,0) (-x,3/4,0;mx,0,0) (x,1/4,1/2;-mx,0,0) (x,3/4,1/2;-mx,0,0) (-x,1/4,0;mx,0,0) (-x,1/4,1/2;-mx,0,0) (x,3/4,0;mx,0,0) 8k (1/2,y,0;mx,0,mz) (1/2,-y+1/2,0;mx,0,-mz) (1/2,y+1/2,1/2;-mx,0,-mz) (1/2,-y,1/2;-mx,0,mz) (1/2,-y,0;mx,0,mz) (1/2,y+1/2,0;mx,0,-mz) (1/2,-y+1/2,1/2;-mx,0,-mz) (1/2,y,1/2;-mx,0,mz) 8j (0,y,0;mx,0,mz) (0,-y+1/2,0;mx,0,-mz) (0,y+1/2,1/2;-mx,0,-mz) (0,-y,1/2;-mx,0,mz) (0,-y,0;mx,0,mz) (0,y+1/2,0;mx,0,-mz) (0,-y+1/2,1/2;-mx,0,-mz) (0,y,1/2;-mx,0,mz) 8i (1/2,1/4,z;mx,my,0) (1/2,1/4,-z;mx,-my,0) (1/2,3/4,-z+1/2;-mx,my,0) (1/2,3/4,z+1/2;-mx,-my,0) (1/2,3/4,-z;mx,my,0) (1/2,3/4,z;mx,-my,0) (1/2,1/4,z+1/2;-mx,my,0) (1/2,1/4,-z+1/2;-mx,-my,0) 8h (0,1/4,z;mx,my,0) (0,1/4,-z;mx,-my,0) (0,3/4,-z+1/2;-mx,my,0) (0,3/4,z+1/2;-mx,-my,0) (0,3/4,-z;mx,my,0) (0,3/4,z;mx,-my,0) (0,1/4,z+1/2;-mx,my,0) (0,1/4,-z+1/2;-mx,-my,0) 4g (x,0,3/4;0,0,mz) (x,1/2,1/4;0,0,-mz) (-x,1/2,3/4;0,0,-mz) (-x,0,1/4;0,0,mz) 4f (1/2,0,0;mx,0,mz) (1/2,1/2,0;mx,0,-mz) (1/2,1/2,1/2;-mx,0,-mz) (1/2,0,1/2;-mx,0,mz) 4e (0,0,0;mx,0,mz) (0,1/2,0;mx,0,-mz) (0,1/2,1/2;-mx,0,-mz) (0,0,1/2;-mx,0,mz) 4d (1/2,1/4,3/4;0,0,0) (1/2,1/4,1/4;0,0,0) (1/2,3/4,3/4;0,0,0) (1/2,3/4,1/4;0,0,0) 4c (0,1/4,3/4;0,0,0) (0,1/4,1/4;0,0,0) (0,3/4,3/4;0,0,0) (0,3/4,1/4;0,0,0) 4b (1/2,1/4,0;mx,0,0) (1/2,3/4,1/2;-mx,0,0) (1/2,3/4,0;mx,0,0) (1/2,1/4,1/2;-mx,0,0) 4a (0,1/4,0;mx,0,0) (0,3/4,1/2;-mx,0,0) (0,3/4,0;mx,0,0) (0,1/4,1/2;-mx,0,0) Operators (OG): (1|0,0,0) (2z|1/2,0,0) (2y|1,1/2,0) (2x|1/2,1/2,0) (-1|1/2,1/2,0) (mz|1,1/2,0) (my|1/2,0,0) (mx|0,0,0) (1|1/2,1/2,0)' (2z|1,1/2,0)' (2y|1/2,0,0)' (2x|0,0,0)' (-1|0,0,0)' (mz|1/2,0,0)' (my|1,1/2,0)' (mx|1/2,1/2,0)' Wyckoff positions (OG): (0,0,0)+ (0,0,1)+ (0,-1,0)+ (1,0,0)+ 16o (x,y,z;mx,my,mz) (-x+1/2,-y,z;-mx,-my,mz) (-x+1,y+1/2,-z;-mx,my,-mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x+1/2,-y+1/2,-z;mx,my,mz) (x+1,y+1/2,-z;-mx,-my,mz) (x+1/2,-y,z;-mx,my,-mz) (-x,y,z;mx,-my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x+1,-y+1/2,z;mx,my,-mz) (-x+1/2,y,-z;mx,-my,mz) (x,-y,-z;-mx,my,mz) (-x,-y,-z;-mx,-my,-mz) (x+1/2,y,-z;mx,my,-mz) (x+1,-y+1/2,z;mx,-my,mz) (-x+1/2,y+1/2,z;-mx,my,mz) 8n (x,1/4,z;mx,0,mz) (-x+1/2,-1/4,z;-mx,0,mz) (-x+1,3/4,-z;-mx,0,-mz) (x+1/2,1/4,-z;mx,0,-mz) (-x+1/2,1/4,-z;mx,0,mz) (x+1,3/4,-z;-mx,0,mz) (x+1/2,-1/4,z;-mx,0,-mz) (-x,1/4,z;mx,0,-mz) 8m (0,y,z;mx,0,0) (1/2,-y,z;-mx,0,0) (1,y+1/2,-z;-mx,0,0) (1/2,-y+1/2,-z;mx,0,0) (1/2,y+1/2,z;-mx,0,0) (1,-y+1/2,z;mx,0,0) (1/2,y,-z;mx,0,0) (0,-y,-z;-mx,0,0) 8l (1/4,0,z;0,0,mz) (3/4,1/2,-z;0,0,-mz) (1/4,1/2,-z;0,0,mz) (3/4,0,z;0,0,-mz) (3/4,1/2,z;0,0,-mz) (1/4,0,-z;0,0,mz) (-1/4,0,-z;0,0,-mz) (5/4,1/2,z;0,0,mz) 8k (1/4,y,1/2;mx,0,mz) (1/4,-y,1/2;-mx,0,mz) (3/4,y+1/2,-1/2;-mx,0,-mz) (3/4,-y+1/2,-1/2;mx,0,-mz) (1/4,-y+1/2,-1/2;mx,0,mz) (5/4,y+1/2,-1/2;-mx,0,mz) (3/4,-y,1/2;-mx,0,-mz) (-1/4,y,1/2;mx,0,-mz) 8j (1/4,y,0;mx,0,mz) (1/4,-y,0;-mx,0,mz) (3/4,y+1/2,0;-mx,0,-mz) (3/4,-y+1/2,0;mx,0,-mz) (1/4,-y+1/2,0;mx,0,mz) (5/4,y+1/2,0;-mx,0,mz) (3/4,-y,0;-mx,0,-mz) (-1/4,y,0;mx,0,-mz) 8i (x,0,1/2;0,my,mz) (-x+1/2,0,1/2;0,-my,mz) (-x+1,1/2,-1/2;0,my,-mz) (x+1/2,1/2,-1/2;0,-my,-mz) (-x+1/2,1/2,-1/2;0,my,mz) (x+1,1/2,-1/2;0,-my,mz) (x+1/2,0,1/2;0,my,-mz) (-x,0,1/2;0,-my,-mz) 8h (x,0,0;0,my,mz) (-x+1/2,0,0;0,-my,mz) (-x+1,1/2,0;0,my,-mz) (x+1/2,1/2,0;0,-my,-mz) (-x+1/2,1/2,0;0,my,mz) (x+1,1/2,0;0,-my,mz) (x+1/2,0,0;0,my,-mz) (-x,0,0;0,-my,-mz) 4g (0,1/4,z;mx,0,0) (1/2,-1/4,z;-mx,0,0) (1,3/4,-z;-mx,0,0) (1/2,1/4,-z;mx,0,0) 4f (1/4,1/4,1/2;mx,0,mz) (1/4,-1/4,1/2;-mx,0,mz) (3/4,3/4,-1/2;-mx,0,-mz) (3/4,1/4,-1/2;mx,0,-mz) 4e (1/4,1/4,0;mx,0,mz) (1/4,-1/4,0;-mx,0,mz) (3/4,3/4,0;-mx,0,-mz) (3/4,1/4,0;mx,0,-mz) 4d (0,0,1/2;0,0,0) (1/2,0,1/2;0,0,0) (1,1/2,-1/2;0,0,0) (1/2,1/2,-1/2;0,0,0) 4c (0,0,0;0,0,0) (1/2,0,0;0,0,0) (1,1/2,0;0,0,0) (1/2,1/2,0;0,0,0) 4b (1/4,0,1/2;0,0,mz) (3/4,1/2,-1/2;0,0,-mz) (1/4,1/2,-1/2;0,0,mz) (3/4,0,1/2;0,0,-mz) 4a (1/4,0,0;0,0,mz) (3/4,1/2,0;0,0,-mz) (1/4,1/2,0;0,0,mz) (3/4,0,0;0,0,-mz) ---------- UNI: 57.390 Pbcm.1'_B[Bbcm] BNS: 57.390 P_Bbcm OG: 64.13.540 C_Pmca' OG-BNS transformation: (1/4,1/4,0;b,c,a) Operators (BNS): (1|0,0,0) (2x|0,1/2,0) (2y|0,1/2,1/2) (2z|0,0,1/2) (-1|0,0,0) (mx|0,1/2,0) (my|0,1/2,1/2) (mz|0,0,1/2) (1|1/2,0,1/2)' (2x|1/2,1/2,1/2)' (2y|1/2,1/2,0)' (2z|1/2,0,0)' (-1|1/2,0,1/2)' (mx|1/2,1/2,1/2)' (my|1/2,1/2,0)' (mz|1/2,0,0)' Wyckoff positions (BNS): 16g (x,y,z;mx,my,mz) (x,-y+1/2,-z;mx,-my,-mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y+1/2,z;mx,-my,-mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x,y,-z+1/2;-mx,-my,mz) (x+1/2,y,z+1/2;-mx,-my,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z;mx,-my,mz) (-x+1/2,-y,z;mx,my,-mz) (-x+1/2,-y,-z+1/2;-mx,-my,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z;mx,-my,mz) (x+1/2,y,-z;mx,my,-mz) 8f (x,y,3/4;0,0,mz) (x,-y+1/2,1/4;0,0,-mz) (-x,y+1/2,3/4;0,0,-mz) (-x,-y,1/4;0,0,mz) (x+1/2,y,1/4;0,0,-mz) (x+1/2,-y+1/2,3/4;0,0,mz) (-x+1/2,y+1/2,1/4;0,0,mz) (-x+1/2,-y,3/4;0,0,-mz) 8e (x,1/4,0;mx,0,0) (-x,3/4,1/2;-mx,0,0) (-x,3/4,0;mx,0,0) (x,1/4,1/2;-mx,0,0) (x+1/2,1/4,1/2;-mx,0,0) (-x+1/2,3/4,0;mx,0,0) (-x+1/2,3/4,1/2;-mx,0,0) (x+1/2,1/4,0;mx,0,0) 8d (3/4,0,z;mx,my,0) (3/4,1/2,-z;mx,-my,0) (1/4,1/2,-z+1/2;-mx,my,0) (1/4,0,z+1/2;-mx,-my,0) (1/4,0,-z;mx,my,0) (1/4,1/2,z;mx,-my,0) (3/4,1/2,z+1/2;-mx,my,0) (3/4,0,-z+1/2;-mx,-my,0) 8c (0,0,0;mx,my,mz) (0,1/2,0;mx,-my,-mz) (0,1/2,1/2;-mx,my,-mz) (0,0,1/2;-mx,-my,mz) (1/2,0,1/2;-mx,-my,-mz) (1/2,1/2,1/2;-mx,my,mz) (1/2,1/2,0;mx,-my,mz) (1/2,0,0;mx,my,-mz) 4b (3/4,0,1/4;0,0,0) (3/4,1/2,3/4;0,0,0) (1/4,1/2,1/4;0,0,0) (1/4,0,3/4;0,0,0) 4a (3/4,0,3/4;0,0,0) (3/4,1/2,1/4;0,0,0) (1/4,1/2,3/4;0,0,0) (1/4,0,1/4;0,0,0) Operators (OG): (1|0,0,0) (2y|1/2,0,1/2) (2z|1,1/2,1/2) (2x|1/2,1/2,0) (-1|1/2,1/2,0) (my|1,1/2,1/2) (mz|1/2,0,1/2) (mx|0,0,0) (1|1/2,1/2,0)' (2y|1,1/2,1/2)' (2z|1/2,0,1/2)' (2x|0,0,0)' (-1|0,0,0)' (my|1/2,0,1/2)' (mz|1,1/2,1/2)' (mx|1/2,1/2,0)' Wyckoff positions (OG): (0,0,0)+ (0,1,0)+ (0,0,1)+ (1,0,0)+ 16g (x,y,z;mx,my,mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x+1,-y+1/2,z+1/2;-mx,-my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x+1/2,-y+1/2,-z;mx,my,mz) (x+1,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y,-z+1/2;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x+1,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (x,-y,-z;-mx,my,mz) (-x,-y,-z;-mx,-my,-mz) (x+1/2,-y,z+1/2;mx,-my,mz) (x+1,y+1/2,-z+1/2;mx,my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) 8f (0,y,z;mx,0,0) (1/2,y,-z+1/2;-mx,0,0) (1,-y+1/2,z+1/2;-mx,0,0) (1/2,-y+1/2,-z;mx,0,0) (1/2,y+1/2,z;-mx,0,0) (1,y+1/2,-z+1/2;mx,0,0) (1/2,-y,z+1/2;mx,0,0) (0,-y,-z;-mx,0,0) 8e (1/4,y,1/4;0,my,0) (3/4,-y+1/2,3/4;0,-my,0) (1/4,-y+1/2,-1/4;0,my,0) (3/4,y,1/4;0,-my,0) (3/4,y+1/2,1/4;0,-my,0) (1/4,-y,3/4;0,my,0) (-1/4,-y,-1/4;0,-my,0) (5/4,y+1/2,1/4;0,my,0) 8d (x,0,0;0,my,mz) (-x+1/2,0,1/2;0,my,-mz) (-x+1,1/2,1/2;0,-my,mz) (x+1/2,1/2,0;0,-my,-mz) (-x+1/2,1/2,0;0,my,mz) (x+1,1/2,1/2;0,my,-mz) (x+1/2,0,1/2;0,-my,mz) (-x,0,0;0,-my,-mz) 8c (1/4,1/4,0;mx,my,mz) (1/4,1/4,1/2;-mx,my,-mz) (3/4,1/4,1/2;-mx,-my,mz) (3/4,1/4,0;mx,-my,-mz) (3/4,3/4,0;-mx,-my,-mz) (3/4,3/4,1/2;mx,-my,mz) (1/4,-1/4,1/2;mx,my,-mz) (1/4,-1/4,0;-mx,my,mz) 4b (1/2,0,0;0,0,0) (0,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) (1,1/2,0;0,0,0) 4a (0,0,0;0,0,0) (1/2,0,1/2;0,0,0) (1,1/2,1/2;0,0,0) (1/2,1/2,0;0,0,0) ---------- UNI: 57.391 Pbcm.1'_C[Cmcm] BNS: 57.391 P_Cbcm OG: 63.11.521 C_Pm'cm OG-BNS transformation: (1/4,1/4,0;a,b,c) Operators (BNS): (1|0,0,0) (2x|0,1/2,0) (2y|0,1/2,1/2) (2z|0,0,1/2) (-1|0,0,0) (mx|0,1/2,0) (my|0,1/2,1/2) (mz|0,0,1/2) (1|1/2,1/2,0)' (2x|1/2,0,0)' (2y|1/2,0,1/2)' (2z|1/2,1/2,1/2)' (-1|1/2,1/2,0)' (mx|1/2,0,0)' (my|1/2,0,1/2)' (mz|1/2,1/2,1/2)' Wyckoff positions (BNS): 16h (x,y,z;mx,my,mz) (x,-y+1/2,-z;mx,-my,-mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y+1/2,z;mx,-my,-mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x,y,-z+1/2;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x+1/2,-y,-z;-mx,my,mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (-x+1/2,y,z;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) 8g (x,y,1/4;0,0,mz) (x,-y+1/2,3/4;0,0,-mz) (-x,y+1/2,1/4;0,0,-mz) (-x,-y,3/4;0,0,mz) (x+1/2,y+1/2,1/4;0,0,-mz) (x+1/2,-y,3/4;0,0,mz) (-x+1/2,y,1/4;0,0,mz) (-x+1/2,-y+1/2,3/4;0,0,-mz) 8f (3/4,y,z;0,my,mz) (3/4,-y+1/2,-z;0,-my,-mz) (1/4,y+1/2,-z+1/2;0,my,-mz) (1/4,-y,z+1/2;0,-my,mz) (1/4,-y,-z;0,my,mz) (1/4,y+1/2,z;0,-my,-mz) (3/4,-y+1/2,z+1/2;0,my,-mz) (3/4,y,-z+1/2;0,-my,mz) 8e (x,3/4,0;mx,0,0) (-x,1/4,1/2;-mx,0,0) (-x,1/4,0;mx,0,0) (x,3/4,1/2;-mx,0,0) (x+1/2,1/4,0;-mx,0,0) (-x+1/2,3/4,1/2;mx,0,0) (-x+1/2,3/4,0;-mx,0,0) (x+1/2,1/4,1/2;mx,0,0) 8d (0,0,0;mx,my,mz) (0,1/2,0;mx,-my,-mz) (0,1/2,1/2;-mx,my,-mz) (0,0,1/2;-mx,-my,mz) (1/2,1/2,0;-mx,-my,-mz) (1/2,0,0;-mx,my,mz) (1/2,0,1/2;mx,-my,mz) (1/2,1/2,1/2;mx,my,-mz) 4c (3/4,y,1/4;0,0,mz) (3/4,-y+1/2,3/4;0,0,-mz) (1/4,y+1/2,1/4;0,0,-mz) (1/4,-y,3/4;0,0,mz) 4b (3/4,1/4,0;0,0,0) (1/4,3/4,1/2;0,0,0) (1/4,3/4,0;0,0,0) (3/4,1/4,1/2;0,0,0) 4a (3/4,3/4,0;0,0,0) (1/4,1/4,1/2;0,0,0) (1/4,1/4,0;0,0,0) (3/4,3/4,1/2;0,0,0) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|1/2,1/2,1/2) (2z|1/2,1/2,1/2) (-1|1/2,1/2,0) (mx|1/2,1/2,0) (my|0,0,1/2) (mz|0,0,1/2) (1|1/2,1/2,0)' (2x|1/2,1/2,0)' (2y|0,0,1/2)' (2z|0,0,1/2)' (-1|0,0,0)' (mx|0,0,0)' (my|1/2,1/2,1/2)' (mz|1/2,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16h (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z+1/2;-mx,-my,mz) (-x+1/2,-y+1/2,-z;mx,my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,-z+1/2;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,z+1/2;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) 8g (x,y,1/4;0,0,mz) (x,-y,-1/4;0,0,-mz) (-x+1/2,y+1/2,1/4;0,0,-mz) (-x+1/2,-y+1/2,3/4;0,0,mz) (x+1/2,y+1/2,1/4;0,0,-mz) (x+1/2,-y+1/2,-1/4;0,0,mz) (-x,y,1/4;0,0,mz) (-x,-y,3/4;0,0,-mz) 8f (0,y,z;0,my,mz) (0,-y,-z;0,-my,-mz) (1/2,y+1/2,-z+1/2;0,my,-mz) (1/2,-y+1/2,z+1/2;0,-my,mz) (1/2,-y+1/2,-z;0,my,mz) (1/2,y+1/2,z;0,-my,-mz) (0,-y,z+1/2;0,my,-mz) (0,y,-z+1/2;0,-my,mz) 8e (x,0,0;mx,0,0) (-x+1/2,1/2,1/2;-mx,0,0) (-x+1/2,1/2,0;mx,0,0) (x,0,1/2;-mx,0,0) (x+1/2,1/2,0;-mx,0,0) (-x,0,1/2;mx,0,0) (-x,0,0;-mx,0,0) (x+1/2,1/2,1/2;mx,0,0) 8d (1/4,1/4,0;mx,my,mz) (1/4,-1/4,0;mx,-my,-mz) (1/4,3/4,1/2;-mx,my,-mz) (1/4,1/4,1/2;-mx,-my,mz) (3/4,3/4,0;-mx,-my,-mz) (3/4,1/4,0;-mx,my,mz) (-1/4,1/4,1/2;mx,-my,mz) (-1/4,-1/4,1/2;mx,my,-mz) 4c (0,y,1/4;0,0,mz) (0,-y,-1/4;0,0,-mz) (1/2,y+1/2,1/4;0,0,-mz) (1/2,-y+1/2,3/4;0,0,mz) 4b (0,1/2,0;0,0,0) (1/2,1,1/2;0,0,0) (1/2,0,0;0,0,0) (0,-1/2,1/2;0,0,0) 4a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) (1/2,1/2,0;0,0,0) (0,0,1/2;0,0,0) ---------- UNI: 57.392 Pbcm.1'_I[Ibam] BNS: 57.392 P_Ibcm OG: 72.9.638 I_Pb'am OG-BNS transformation: (1/4,1/4,1/4;a,b,c) Operators (BNS): (1|0,0,0) (2x|0,1/2,0) (2y|0,1/2,1/2) (2z|0,0,1/2) (-1|0,0,0) (mx|0,1/2,0) (my|0,1/2,1/2) (mz|0,0,1/2) (1|1/2,1/2,1/2)' (2x|1/2,0,1/2)' (2y|1/2,0,0)' (2z|1/2,1/2,0)' (-1|1/2,1/2,1/2)' (mx|1/2,0,1/2)' (my|1/2,0,0)' (mz|1/2,1/2,0)' Wyckoff positions (BNS): 16k (x,y,z;mx,my,mz) (x,-y+1/2,-z;mx,-my,-mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y+1/2,z;mx,-my,-mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x,y,-z+1/2;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x+1/2,-y,-z+1/2;-mx,my,mz) (-x+1/2,y,-z;mx,-my,mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) (x+1/2,y+1/2,-z;mx,my,-mz) 8j (x,y,3/4;0,0,mz) (x,-y+1/2,1/4;0,0,-mz) (-x,y+1/2,3/4;0,0,-mz) (-x,-y,1/4;0,0,mz) (x+1/2,y+1/2,1/4;0,0,-mz) (x+1/2,-y,3/4;0,0,mz) (-x+1/2,y,1/4;0,0,mz) (-x+1/2,-y+1/2,3/4;0,0,-mz) 8i (3/4,1/4,z;mx,my,0) (3/4,1/4,-z;mx,-my,0) (1/4,3/4,-z+1/2;-mx,my,0) (1/4,3/4,z+1/2;-mx,-my,0) (1/4,3/4,-z;mx,my,0) (1/4,3/4,z;mx,-my,0) (3/4,1/4,z+1/2;-mx,my,0) (3/4,1/4,-z+1/2;-mx,-my,0) 8h (3/4,3/4,z;mx,my,0) (3/4,3/4,-z;mx,-my,0) (1/4,1/4,-z+1/2;-mx,my,0) (1/4,1/4,z+1/2;-mx,-my,0) (1/4,1/4,-z;mx,my,0) (1/4,1/4,z;mx,-my,0) (3/4,3/4,z+1/2;-mx,my,0) (3/4,3/4,-z+1/2;-mx,-my,0) 8g (3/4,y,0;mx,0,mz) (3/4,-y+1/2,0;mx,0,-mz) (1/4,y+1/2,1/2;-mx,0,-mz) (1/4,-y,1/2;-mx,0,mz) (1/4,-y,0;mx,0,mz) (1/4,y+1/2,0;mx,0,-mz) (3/4,-y+1/2,1/2;-mx,0,-mz) (3/4,y,1/2;-mx,0,mz) 8f (x,3/4,0;mx,0,0) (-x,1/4,1/2;-mx,0,0) (-x,1/4,0;mx,0,0) (x,3/4,1/2;-mx,0,0) (x+1/2,1/4,1/2;-mx,0,0) (-x+1/2,3/4,0;mx,0,0) (-x+1/2,3/4,1/2;-mx,0,0) (x+1/2,1/4,0;mx,0,0) 8e (0,0,0;mx,my,mz) (0,1/2,0;mx,-my,-mz) (0,1/2,1/2;-mx,my,-mz) (0,0,1/2;-mx,-my,mz) (1/2,1/2,1/2;-mx,-my,-mz) (1/2,0,1/2;-mx,my,mz) (1/2,0,0;mx,-my,mz) (1/2,1/2,0;mx,my,-mz) 4d (1/4,3/4,3/4;0,0,0) (1/4,3/4,1/4;0,0,0) (3/4,1/4,3/4;0,0,0) (3/4,1/4,1/4;0,0,0) 4c (3/4,3/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) (1/4,1/4,3/4;0,0,0) (1/4,1/4,1/4;0,0,0) 4b (1/4,3/4,0;mx,0,0) (3/4,1/4,1/2;-mx,0,0) (3/4,1/4,0;mx,0,0) (1/4,3/4,1/2;-mx,0,0) 4a (3/4,3/4,0;mx,0,0) (1/4,1/4,1/2;-mx,0,0) (1/4,1/4,0;mx,0,0) (3/4,3/4,1/2;-mx,0,0) Operators (OG): (1|0,0,0) (2x|0,0,1/2) (2y|1/2,1/2,1) (2z|1/2,1/2,1/2) (-1|1/2,1/2,1/2) (mx|1/2,1/2,1) (my|0,0,1/2) (mz|0,0,0) (1|1/2,1/2,1/2)' (2x|1/2,1/2,1)' (2y|0,0,1/2)' (2z|0,0,0)' (-1|0,0,0)' (mx|0,0,1/2)' (my|1/2,1/2,1)' (mz|1/2,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16k (x,y,z;mx,my,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x+1/2,y+1/2,-z+1;-mx,my,-mz) (-x+1/2,-y+1/2,z+1/2;-mx,-my,mz) (-x+1/2,-y+1/2,-z+1/2;mx,my,mz) (-x+1/2,y+1/2,z+1;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x+1/2,-y+1/2,-z+1;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1;mx,-my,mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) 8j (x,y,0;0,0,mz) (x,-y,1/2;0,0,-mz) (-x+1/2,y+1/2,1;0,0,-mz) (-x+1/2,-y+1/2,1/2;0,0,mz) (x+1/2,y+1/2,1/2;0,0,-mz) (x+1/2,-y+1/2,1;0,0,mz) (-x,y,1/2;0,0,mz) (-x,-y,0;0,0,-mz) 8i (0,1/2,z;mx,my,0) (0,-1/2,-z+1/2;mx,-my,0) (1/2,1,-z+1;-mx,my,0) (1/2,0,z+1/2;-mx,-my,0) (1/2,0,-z+1/2;mx,my,0) (1/2,1,z+1;mx,-my,0) (0,-1/2,z+1/2;-mx,my,0) (0,1/2,-z;-mx,-my,0) 8h (0,0,z;mx,my,0) (0,0,-z+1/2;mx,-my,0) (1/2,1/2,-z+1;-mx,my,0) (1/2,1/2,z+1/2;-mx,-my,0) (1/2,1/2,-z+1/2;mx,my,0) (1/2,1/2,z+1;mx,-my,0) (0,0,z+1/2;-mx,my,0) (0,0,-z;-mx,-my,0) 8g (0,y,1/4;mx,0,mz) (0,-y,1/4;mx,0,-mz) (1/2,y+1/2,3/4;-mx,0,-mz) (1/2,-y+1/2,3/4;-mx,0,mz) (1/2,-y+1/2,1/4;mx,0,mz) (1/2,y+1/2,5/4;mx,0,-mz) (0,-y,3/4;-mx,0,-mz) (0,y,-1/4;-mx,0,mz) 8f (x,0,1/4;mx,0,0) (-x+1/2,1/2,3/4;-mx,0,0) (-x+1/2,1/2,1/4;mx,0,0) (x,0,3/4;-mx,0,0) (x+1/2,1/2,3/4;-mx,0,0) (-x,0,1/4;mx,0,0) (-x,0,-1/4;-mx,0,0) (x+1/2,1/2,5/4;mx,0,0) 8e (1/4,1/4,1/4;mx,my,mz) (1/4,-1/4,1/4;mx,-my,-mz) (1/4,3/4,3/4;-mx,my,-mz) (1/4,1/4,3/4;-mx,-my,mz) (3/4,3/4,3/4;-mx,-my,-mz) (3/4,1/4,3/4;-mx,my,mz) (-1/4,1/4,1/4;mx,-my,mz) (-1/4,-1/4,1/4;mx,my,-mz) 4d (1/2,0,0;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1;0,0,0) (0,1/2,1/2;0,0,0) 4c (0,0,0;0,0,0) (0,0,1/2;0,0,0) (1/2,1/2,1;0,0,0) (1/2,1/2,1/2;0,0,0) 4b (1/2,0,1/4;mx,0,0) (0,1/2,3/4;-mx,0,0) (0,1/2,1/4;mx,0,0) (1/2,0,3/4;-mx,0,0) 4a (0,0,1/4;mx,0,0) (1/2,1/2,3/4;-mx,0,0) (1/2,1/2,1/4;mx,0,0) (0,0,3/4;-mx,0,0) ---------- UNI: 58.393 Pnnm.1 BNS: 58.393 Pnnm OG: 58.1.471 Pnnm Operators: (1|0,0,0) (2x|1/2,1/2,1/2) (2y|1/2,1/2,1/2) (2z|0,0,0) (-1|0,0,0) (mx|1/2,1/2,1/2) (my|1/2,1/2,1/2) (mz|0,0,0) Wyckoff positions: 8h (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x,y,-z;-mx,-my,mz) 4g (x,y,0;0,0,mz) (x+1/2,-y+1/2,1/2;0,0,-mz) (-x+1/2,y+1/2,1/2;0,0,-mz) (-x,-y,0;0,0,mz) 4f (0,1/2,z;0,0,mz) (1/2,0,-z+1/2;0,0,-mz) (0,1/2,-z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) 4e (0,0,z;0,0,mz) (1/2,1/2,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) 2d (0,1/2,1/2;0,0,mz) (1/2,0,0;0,0,-mz) 2c (0,1/2,0;0,0,mz) (1/2,0,1/2;0,0,-mz) 2b (0,0,1/2;0,0,mz) (1/2,1/2,0;0,0,-mz) 2a (0,0,0;0,0,mz) (1/2,1/2,1/2;0,0,-mz) ---------- UNI: 58.394 Pnnm.1' BNS: 58.394 Pnnm1' OG: 58.2.472 Pnnm1' Operators: (1|0,0,0) (2x|1/2,1/2,1/2) (2y|1/2,1/2,1/2) (2z|0,0,0) (-1|0,0,0) (mx|1/2,1/2,1/2) (my|1/2,1/2,1/2) (mz|0,0,0) (1|0,0,0)' (2x|1/2,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|0,0,0)' (-1|0,0,0)' (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2)' (mz|0,0,0)' Wyckoff positions: 8h (x,y,z;0,0,0) (x+1/2,-y+1/2,-z+1/2;0,0,0) (-x+1/2,y+1/2,-z+1/2;0,0,0) (-x,-y,z;0,0,0) (-x,-y,-z;0,0,0) (-x+1/2,y+1/2,z+1/2;0,0,0) (x+1/2,-y+1/2,z+1/2;0,0,0) (x,y,-z;0,0,0) 4g (x,y,0;0,0,0) (x+1/2,-y+1/2,1/2;0,0,0) (-x+1/2,y+1/2,1/2;0,0,0) (-x,-y,0;0,0,0) 4f (0,1/2,z;0,0,0) (1/2,0,-z+1/2;0,0,0) (0,1/2,-z;0,0,0) (1/2,0,z+1/2;0,0,0) 4e (0,0,z;0,0,0) (1/2,1/2,-z+1/2;0,0,0) (0,0,-z;0,0,0) (1/2,1/2,z+1/2;0,0,0) 2d (0,1/2,1/2;0,0,0) (1/2,0,0;0,0,0) 2c (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) 2b (0,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) ---------- UNI: 58.395 Pn'nm BNS: 58.395 Pn'nm OG: 58.3.473 Pn'nm Operators: (1|0,0,0) (2x|1/2,1/2,1/2) (2y|1/2,1/2,1/2)' (2z|0,0,0)' (-1|0,0,0)' (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2) (mz|0,0,0) Wyckoff positions: 8h (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x,-y,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x,y,-z;-mx,-my,mz) 4g (x,y,0;0,0,mz) (x+1/2,-y+1/2,1/2;0,0,-mz) (-x+1/2,y+1/2,1/2;0,0,mz) (-x,-y,0;0,0,-mz) 4f (0,1/2,z;mx,my,0) (1/2,0,-z+1/2;mx,-my,0) (0,1/2,-z;-mx,-my,0) (1/2,0,z+1/2;-mx,my,0) 4e (0,0,z;mx,my,0) (1/2,1/2,-z+1/2;mx,-my,0) (0,0,-z;-mx,-my,0) (1/2,1/2,z+1/2;-mx,my,0) 2d (0,1/2,1/2;0,0,0) (1/2,0,0;0,0,0) 2c (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) 2b (0,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) ---------- UNI: 58.396 Pnnm' BNS: 58.396 Pnnm' OG: 58.4.474 Pnnm' Operators: (1|0,0,0) (2x|1/2,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|0,0,0) (-1|0,0,0)' (mx|1/2,1/2,1/2) (my|1/2,1/2,1/2) (mz|0,0,0)' Wyckoff positions: 8h (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x,y,-z;mx,my,-mz) 4g (x,y,0;mx,my,0) (x+1/2,-y+1/2,1/2;-mx,my,0) (-x+1/2,y+1/2,1/2;mx,-my,0) (-x,-y,0;-mx,-my,0) 4f (0,1/2,z;0,0,mz) (1/2,0,-z+1/2;0,0,mz) (0,1/2,-z;0,0,-mz) (1/2,0,z+1/2;0,0,-mz) 4e (0,0,z;0,0,mz) (1/2,1/2,-z+1/2;0,0,mz) (0,0,-z;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) 2d (0,1/2,1/2;0,0,0) (1/2,0,0;0,0,0) 2c (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) 2b (0,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) ---------- UNI: 58.397 Pn'n'm BNS: 58.397 Pn'n'm OG: 58.5.475 Pn'n'm Operators: (1|0,0,0) (2x|1/2,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|0,0,0) (-1|0,0,0) (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2)' (mz|0,0,0) Wyckoff positions: 8h (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (x,y,-z;-mx,-my,mz) 4g (x,y,0;0,0,mz) (x+1/2,-y+1/2,1/2;0,0,mz) (-x+1/2,y+1/2,1/2;0,0,mz) (-x,-y,0;0,0,mz) 4f (0,1/2,z;0,0,mz) (1/2,0,-z+1/2;0,0,mz) (0,1/2,-z;0,0,mz) (1/2,0,z+1/2;0,0,mz) 4e (0,0,z;0,0,mz) (1/2,1/2,-z+1/2;0,0,mz) (0,0,-z;0,0,mz) (1/2,1/2,z+1/2;0,0,mz) 2d (0,1/2,1/2;0,0,mz) (1/2,0,0;0,0,mz) 2c (0,1/2,0;0,0,mz) (1/2,0,1/2;0,0,mz) 2b (0,0,1/2;0,0,mz) (1/2,1/2,0;0,0,mz) 2a (0,0,0;0,0,mz) (1/2,1/2,1/2;0,0,mz) ---------- UNI: 58.398 Pnn'm' BNS: 58.398 Pnn'm' OG: 58.6.476 Pnn'm' Operators: (1|0,0,0) (2x|1/2,1/2,1/2) (2y|1/2,1/2,1/2)' (2z|0,0,0)' (-1|0,0,0) (mx|1/2,1/2,1/2) (my|1/2,1/2,1/2)' (mz|0,0,0)' Wyckoff positions: 8h (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x,-y,z;mx,my,-mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (x,y,-z;mx,my,-mz) 4g (x,y,0;mx,my,0) (x+1/2,-y+1/2,1/2;mx,-my,0) (-x+1/2,y+1/2,1/2;mx,-my,0) (-x,-y,0;mx,my,0) 4f (0,1/2,z;mx,my,0) (1/2,0,-z+1/2;mx,-my,0) (0,1/2,-z;mx,my,0) (1/2,0,z+1/2;mx,-my,0) 4e (0,0,z;mx,my,0) (1/2,1/2,-z+1/2;mx,-my,0) (0,0,-z;mx,my,0) (1/2,1/2,z+1/2;mx,-my,0) 2d (0,1/2,1/2;mx,my,0) (1/2,0,0;mx,-my,0) 2c (0,1/2,0;mx,my,0) (1/2,0,1/2;mx,-my,0) 2b (0,0,1/2;mx,my,0) (1/2,1/2,0;mx,-my,0) 2a (0,0,0;mx,my,0) (1/2,1/2,1/2;mx,-my,0) ---------- UNI: 58.399 Pn'n'm' BNS: 58.399 Pn'n'm' OG: 58.7.477 Pn'n'm' Operators: (1|0,0,0) (2x|1/2,1/2,1/2) (2y|1/2,1/2,1/2) (2z|0,0,0) (-1|0,0,0)' (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2)' (mz|0,0,0)' Wyckoff positions: 8h (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (x,y,-z;mx,my,-mz) 4g (x,y,0;mx,my,0) (x+1/2,-y+1/2,1/2;mx,-my,0) (-x+1/2,y+1/2,1/2;-mx,my,0) (-x,-y,0;-mx,-my,0) 4f (0,1/2,z;0,0,mz) (1/2,0,-z+1/2;0,0,-mz) (0,1/2,-z;0,0,-mz) (1/2,0,z+1/2;0,0,mz) 4e (0,0,z;0,0,mz) (1/2,1/2,-z+1/2;0,0,-mz) (0,0,-z;0,0,-mz) (1/2,1/2,z+1/2;0,0,mz) 2d (0,1/2,1/2;0,0,0) (1/2,0,0;0,0,0) 2c (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) 2b (0,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) ---------- UNI: 58.400 Pnnm.1'_a[Pncm] BNS: 58.400 P_annm OG: 53.12.426 P_2bmna' OG-BNS transformation: (0,1/2,0;2b,c,a) Operators (BNS): (1|0,0,0) (2x|1/2,1/2,1/2) (2y|1/2,1/2,1/2) (2z|0,0,0) (-1|0,0,0) (mx|1/2,1/2,1/2) (my|1/2,1/2,1/2) (mz|0,0,0) (1|1/2,0,0)' (2x|0,1/2,1/2)' (2y|0,1/2,1/2)' (2z|1/2,0,0)' (-1|1/2,0,0)' (mx|0,1/2,1/2)' (my|0,1/2,1/2)' (mz|1/2,0,0)' Wyckoff positions (BNS): 16i (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x+1/2,y,z;-mx,-my,-mz) (x,-y+1/2,-z+1/2;-mx,my,mz) (-x,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y,z;mx,my,-mz) (-x+1/2,-y,-z;-mx,-my,-mz) (-x,y+1/2,z+1/2;-mx,my,mz) (x,-y+1/2,z+1/2;mx,-my,mz) (x+1/2,y,-z;mx,my,-mz) 8h (x,y,0;0,0,mz) (x+1/2,-y+1/2,1/2;0,0,-mz) (-x+1/2,y+1/2,1/2;0,0,-mz) (-x,-y,0;0,0,mz) (x+1/2,y,0;0,0,-mz) (x,-y+1/2,1/2;0,0,mz) (-x,y+1/2,1/2;0,0,mz) (-x+1/2,-y,0;0,0,-mz) 8g (x,1/4,1/4;0,my,mz) (x+1/2,1/4,1/4;0,-my,-mz) (-x+1/2,3/4,1/4;0,my,-mz) (-x,3/4,1/4;0,-my,mz) (-x,3/4,3/4;0,my,mz) (-x+1/2,3/4,3/4;0,-my,-mz) (x+1/2,1/4,3/4;0,my,-mz) (x,1/4,3/4;0,-my,mz) 8f (0,0,z;0,0,mz) (1/2,1/2,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) (1/2,0,z;0,0,-mz) (0,1/2,-z+1/2;0,0,mz) (1/2,0,-z;0,0,-mz) (0,1/2,z+1/2;0,0,mz) 8e (3/4,0,z;mx,my,0) (1/4,1/2,-z+1/2;mx,-my,0) (3/4,1/2,-z+1/2;-mx,my,0) (1/4,0,z;-mx,-my,0) (1/4,0,-z;mx,my,0) (3/4,1/2,z+1/2;mx,-my,0) (1/4,1/2,z+1/2;-mx,my,0) (3/4,0,-z;-mx,-my,0) 4d (0,0,0;0,0,mz) (1/2,1/2,1/2;0,0,-mz) (1/2,0,0;0,0,-mz) (0,1/2,1/2;0,0,mz) 4c (0,0,1/2;0,0,mz) (1/2,1/2,0;0,0,-mz) (1/2,0,1/2;0,0,-mz) (0,1/2,0;0,0,mz) 4b (3/4,0,1/2;0,0,0) (1/4,1/2,0;0,0,0) (3/4,1/2,0;0,0,0) (1/4,0,1/2;0,0,0) 4a (3/4,0,0;0,0,0) (1/4,1/2,1/2;0,0,0) (3/4,1/2,1/2;0,0,0) (1/4,0,0;0,0,0) Operators (OG): (1|0,0,0) (2y|1/2,1,1/2) (2z|1/2,0,1/2) (2x|0,1,0) (-1|0,1,0) (my|1/2,0,1/2) (mz|1/2,1,1/2) (mx|0,0,0) (1|0,1,0)' (2y|1/2,0,1/2)' (2z|1/2,1,1/2)' (2x|0,0,0)' (-1|0,0,0)' (my|1/2,1,1/2)' (mz|1/2,0,1/2)' (mx|0,1,0)' Wyckoff positions (OG): (0,0,0)+ (0,2,0)+ (0,0,1)+ (1,0,0)+ 16i (x,y,z;mx,my,mz) (-x+1/2,y+1,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (x,-y+1,-z;mx,-my,-mz) (-x,-y+1,-z;mx,my,mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1,-z+1/2;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,y+1,z;-mx,-my,-mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x+1/2,-y+1,z+1/2;mx,my,-mz) (x,-y,-z;-mx,my,mz) (-x,-y,-z;-mx,-my,-mz) (x+1/2,-y+1,z+1/2;mx,-my,mz) (x+1/2,y,-z+1/2;mx,my,-mz) (-x,y+1,z;-mx,my,mz) 8h (0,y,z;mx,0,0) (1/2,y+1,-z+1/2;-mx,0,0) (1/2,-y,z+1/2;-mx,0,0) (0,-y+1,-z;mx,0,0) (0,y+1,z;-mx,0,0) (1/2,y,-z+1/2;mx,0,0) (1/2,-y+1,z+1/2;mx,0,0) (0,-y,-z;-mx,0,0) 8g (1/4,y,1/4;mx,0,mz) (1/4,y+1,1/4;-mx,0,-mz) (1/4,-y,3/4;-mx,0,mz) (1/4,-y+1,-1/4;mx,0,-mz) (-1/4,-y+1,-1/4;mx,0,mz) (3/4,-y,3/4;-mx,0,-mz) (3/4,y+1,1/4;-mx,0,mz) (-1/4,y,1/4;mx,0,-mz) 8f (x,1/2,0;mx,0,0) (-x+1/2,3/2,1/2;-mx,0,0) (-x,1/2,0;mx,0,0) (x+1/2,-1/2,1/2;-mx,0,0) (x,3/2,0;-mx,0,0) (-x+1/2,1/2,1/2;mx,0,0) (-x,-1/2,0;-mx,0,0) (x+1/2,1/2,1/2;mx,0,0) 8e (x,0,0;0,my,mz) (-x+1/2,1,1/2;0,my,-mz) (-x+1/2,0,1/2;0,-my,mz) (x,1,0;0,-my,-mz) (-x,1,0;0,my,mz) (x+1/2,0,1/2;0,my,-mz) (x+1/2,1,1/2;0,-my,mz) (-x,0,0;0,-my,-mz) 4d (0,1/2,0;mx,0,0) (1/2,3/2,1/2;-mx,0,0) (0,3/2,0;-mx,0,0) (1/2,1/2,1/2;mx,0,0) 4c (1/2,1/2,0;mx,0,0) (0,3/2,1/2;-mx,0,0) (1/2,3/2,0;-mx,0,0) (0,1/2,1/2;mx,0,0) 4b (1/2,0,0;0,0,0) (0,1,1/2;0,0,0) (0,0,1/2;0,0,0) (1/2,1,0;0,0,0) 4a (0,0,0;0,0,0) (1/2,1,1/2;0,0,0) (1/2,0,1/2;0,0,0) (0,1,0;0,0,0) ---------- UNI: 58.401 Pnnm.1'_c[Pbam] BNS: 58.401 P_cnnm OG: 55.10.450 P_2cb'a'm OG-BNS transformation: (0,0,0;a,b,2c) Operators (BNS): (1|0,0,0) (2x|1/2,1/2,1/2) (2y|1/2,1/2,1/2) (2z|0,0,0) (-1|0,0,0) (mx|1/2,1/2,1/2) (my|1/2,1/2,1/2) (mz|0,0,0) (1|0,0,1/2)' (2x|1/2,1/2,0)' (2y|1/2,1/2,0)' (2z|0,0,1/2)' (-1|0,0,1/2)' (mx|1/2,1/2,0)' (my|1/2,1/2,0)' (mz|0,0,1/2)' Wyckoff positions (BNS): 16i (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x,y,z+1/2;-mx,-my,-mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x+1/2,y+1/2,-z;mx,-my,mz) (-x,-y,z+1/2;mx,my,-mz) (-x,-y,-z+1/2;-mx,-my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z;mx,-my,mz) (x,y,-z+1/2;mx,my,-mz) 8h (x,y,1/4;mx,my,0) (x+1/2,-y+1/2,1/4;mx,-my,0) (-x+1/2,y+1/2,1/4;-mx,my,0) (-x,-y,1/4;-mx,-my,0) (-x,-y,3/4;mx,my,0) (-x+1/2,y+1/2,3/4;mx,-my,0) (x+1/2,-y+1/2,3/4;-mx,my,0) (x,y,3/4;-mx,-my,0) 8g (x,y,0;0,0,mz) (x+1/2,-y+1/2,1/2;0,0,-mz) (-x+1/2,y+1/2,1/2;0,0,-mz) (-x,-y,0;0,0,mz) (x,y,1/2;0,0,-mz) (x+1/2,-y+1/2,0;0,0,mz) (-x+1/2,y+1/2,0;0,0,mz) (-x,-y,1/2;0,0,-mz) 8f (0,1/2,z;0,0,mz) (1/2,0,-z+1/2;0,0,-mz) (0,1/2,-z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) (1/2,0,-z;0,0,mz) (0,1/2,-z+1/2;0,0,-mz) (1/2,0,z;0,0,mz) 8e (0,0,z;0,0,mz) (1/2,1/2,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) (0,0,z+1/2;0,0,-mz) (1/2,1/2,-z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (1/2,1/2,z;0,0,mz) 4d (0,1/2,1/4;0,0,0) (1/2,0,1/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,0,3/4;0,0,0) 4c (0,1/2,0;0,0,mz) (1/2,0,1/2;0,0,-mz) (0,1/2,1/2;0,0,-mz) (1/2,0,0;0,0,mz) 4b (0,0,1/4;0,0,0) (1/2,1/2,1/4;0,0,0) (0,0,3/4;0,0,0) (1/2,1/2,3/4;0,0,0) 4a (0,0,0;0,0,mz) (1/2,1/2,1/2;0,0,-mz) (0,0,1/2;0,0,-mz) (1/2,1/2,0;0,0,mz) Operators (OG): (1|0,0,0) (2x|1/2,1/2,1) (2y|1/2,1/2,1) (2z|0,0,0) (-1|0,0,0) (mx|1/2,1/2,1) (my|1/2,1/2,1) (mz|0,0,0) (1|0,0,1)' (2x|1/2,1/2,0)' (2y|1/2,1/2,0)' (2z|0,0,1)' (-1|0,0,1)' (mx|1/2,1/2,0)' (my|1/2,1/2,0)' (mz|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 16i (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z+1;mx,-my,-mz) (-x+1/2,y+1/2,-z+1;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z+1;mx,-my,-mz) (x+1/2,-y+1/2,z+1;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x,y,z+1;-mx,-my,-mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x+1/2,y+1/2,-z;mx,-my,mz) (-x,-y,z+1;mx,my,-mz) (-x,-y,-z+1;-mx,-my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z;mx,-my,mz) (x,y,-z+1;mx,my,-mz) 8h (x,y,1/2;mx,my,0) (x+1/2,-y+1/2,1/2;mx,-my,0) (-x+1/2,y+1/2,1/2;-mx,my,0) (-x,-y,1/2;-mx,-my,0) (-x,-y,-1/2;mx,my,0) (-x+1/2,y+1/2,3/2;mx,-my,0) (x+1/2,-y+1/2,3/2;-mx,my,0) (x,y,-1/2;-mx,-my,0) 8g (x,y,0;0,0,mz) (x+1/2,-y+1/2,1;0,0,-mz) (-x+1/2,y+1/2,1;0,0,-mz) (-x,-y,0;0,0,mz) (x,y,1;0,0,-mz) (x+1/2,-y+1/2,0;0,0,mz) (-x+1/2,y+1/2,0;0,0,mz) (-x,-y,1;0,0,-mz) 8f (0,1/2,z;0,0,mz) (1/2,0,-z+1;0,0,-mz) (0,-1/2,-z;0,0,mz) (1/2,1,z+1;0,0,-mz) (0,1/2,z+1;0,0,-mz) (1/2,0,-z;0,0,mz) (0,-1/2,-z+1;0,0,-mz) (1/2,1,z;0,0,mz) 8e (0,0,z;0,0,mz) (1/2,1/2,-z+1;0,0,-mz) (0,0,-z;0,0,mz) (1/2,1/2,z+1;0,0,-mz) (0,0,z+1;0,0,-mz) (1/2,1/2,-z;0,0,mz) (0,0,-z+1;0,0,-mz) (1/2,1/2,z;0,0,mz) 4d (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) (0,-1/2,-1/2;0,0,0) (1/2,1,3/2;0,0,0) 4c (0,1/2,0;0,0,mz) (1/2,0,1;0,0,-mz) (0,1/2,1;0,0,-mz) (1/2,0,0;0,0,mz) 4b (0,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) (0,0,-1/2;0,0,0) (1/2,1/2,3/2;0,0,0) 4a (0,0,0;0,0,mz) (1/2,1/2,1;0,0,-mz) (0,0,1;0,0,-mz) (1/2,1/2,0;0,0,mz) ---------- UNI: 58.402 Pnnm.1'_B[Bbmm] BNS: 58.402 P_Bnnm OG: 63.15.525 C_Pmc'm' OG-BNS transformation: (0,0,0;b,c,a) Operators (BNS): (1|0,0,0) (2x|1/2,1/2,1/2) (2y|1/2,1/2,1/2) (2z|0,0,0) (-1|0,0,0) (mx|1/2,1/2,1/2) (my|1/2,1/2,1/2) (mz|0,0,0) (1|1/2,0,1/2)' (2x|0,1/2,0)' (2y|0,1/2,0)' (2z|1/2,0,1/2)' (-1|1/2,0,1/2)' (mx|0,1/2,0)' (my|0,1/2,0)' (mz|1/2,0,1/2)' Wyckoff positions (BNS): 16h (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x+1/2,y,z+1/2;-mx,-my,-mz) (x,-y+1/2,-z;-mx,my,mz) (-x,y+1/2,-z;mx,-my,mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x+1/2,-y,-z+1/2;-mx,-my,-mz) (-x,y+1/2,z;-mx,my,mz) (x,-y+1/2,z;mx,-my,mz) (x+1/2,y,-z+1/2;mx,my,-mz) 8g (x,1/4,z;mx,0,mz) (x+1/2,1/4,-z+1/2;mx,0,-mz) (-x+1/2,3/4,-z+1/2;-mx,0,-mz) (-x,3/4,z;-mx,0,mz) (-x,3/4,-z;mx,0,mz) (-x+1/2,3/4,z+1/2;mx,0,-mz) (x+1/2,1/4,z+1/2;-mx,0,-mz) (x,1/4,-z;-mx,0,mz) 8f (x,y,0;0,0,mz) (x+1/2,-y+1/2,1/2;0,0,-mz) (-x+1/2,y+1/2,1/2;0,0,-mz) (-x,-y,0;0,0,mz) (x+1/2,y,1/2;0,0,-mz) (x,-y+1/2,0;0,0,mz) (-x,y+1/2,0;0,0,mz) (-x+1/2,-y,1/2;0,0,-mz) 8e (0,0,z;0,0,mz) (1/2,1/2,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) (1/2,0,z+1/2;0,0,-mz) (0,1/2,-z;0,0,mz) (1/2,0,-z+1/2;0,0,-mz) (0,1/2,z;0,0,mz) 8d (1/4,0,1/4;0,0,0) (3/4,1/2,1/4;0,0,0) (1/4,1/2,1/4;0,0,0) (3/4,0,1/4;0,0,0) (3/4,0,3/4;0,0,0) (1/4,1/2,3/4;0,0,0) (3/4,1/2,3/4;0,0,0) (1/4,0,3/4;0,0,0) 4c (x,1/4,0;0,0,mz) (x+1/2,1/4,1/2;0,0,-mz) (-x+1/2,3/4,1/2;0,0,-mz) (-x,3/4,0;0,0,mz) 4b (1/2,0,0;0,0,mz) (0,1/2,1/2;0,0,-mz) (0,0,1/2;0,0,-mz) (1/2,1/2,0;0,0,mz) 4a (0,0,0;0,0,mz) (1/2,1/2,1/2;0,0,-mz) (1/2,0,1/2;0,0,-mz) (0,1/2,0;0,0,mz) Operators (OG): (1|0,0,0) (2y|1/2,1/2,1/2) (2z|1/2,1/2,1/2) (2x|0,0,0) (-1|0,0,0) (my|1/2,1/2,1/2) (mz|1/2,1/2,1/2) (mx|0,0,0) (1|1/2,1/2,0)' (2y|0,0,1/2)' (2z|0,0,1/2)' (2x|1/2,1/2,0)' (-1|1/2,1/2,0)' (my|0,0,1/2)' (mz|0,0,1/2)' (mx|1/2,1/2,0)' Wyckoff positions (OG): (0,0,0)+ (0,1,0)+ (0,0,1)+ (1,0,0)+ 16h (x,y,z;mx,my,mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z+1/2;-mx,-my,mz) (x,-y,-z;mx,-my,-mz) (-x,-y,-z;mx,my,mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z+1/2;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,z+1/2;mx,my,-mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (x,-y,z+1/2;mx,-my,mz) (x,y,-z+1/2;mx,my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) 8g (x,y,1/4;mx,my,0) (-x+1/2,y+1/2,1/4;-mx,my,0) (-x+1/2,-y+1/2,3/4;-mx,-my,0) (x,-y,-1/4;mx,-my,0) (-x,-y,-1/4;mx,my,0) (x+1/2,-y+1/2,3/4;-mx,my,0) (x+1/2,y+1/2,1/4;-mx,-my,0) (-x,y,1/4;mx,-my,0) 8f (0,y,z;mx,0,0) (1/2,y+1/2,-z+1/2;-mx,0,0) (1/2,-y+1/2,z+1/2;-mx,0,0) (0,-y,-z;mx,0,0) (1/2,y+1/2,z;-mx,0,0) (0,y,-z+1/2;mx,0,0) (0,-y,z+1/2;mx,0,0) (1/2,-y+1/2,-z;-mx,0,0) 8e (x,0,0;mx,0,0) (-x+1/2,1/2,1/2;-mx,0,0) (-x,0,0;mx,0,0) (x+1/2,1/2,1/2;-mx,0,0) (x+1/2,1/2,0;-mx,0,0) (-x,0,1/2;mx,0,0) (-x+1/2,1/2,0;-mx,0,0) (x,0,1/2;mx,0,0) 8d (1/4,1/4,0;0,0,0) (1/4,3/4,1/2;0,0,0) (1/4,1/4,1/2;0,0,0) (1/4,-1/4,0;0,0,0) (-1/4,-1/4,0;0,0,0) (3/4,1/4,1/2;0,0,0) (3/4,3/4,1/2;0,0,0) (-1/4,1/4,0;0,0,0) 4c (0,y,1/4;mx,0,0) (1/2,y+1/2,1/4;-mx,0,0) (1/2,-y+1/2,3/4;-mx,0,0) (0,-y,-1/4;mx,0,0) 4b (0,1/2,0;mx,0,0) (1/2,1,1/2;-mx,0,0) (1/2,1,0;-mx,0,0) (0,1/2,1/2;mx,0,0) 4a (0,0,0;mx,0,0) (1/2,1/2,1/2;-mx,0,0) (1/2,1/2,0;-mx,0,0) (0,0,1/2;mx,0,0) ---------- UNI: 58.403 Pnnm.1'_C[Cccm] BNS: 58.403 P_Cnnm OG: 66.11.574 C_Pc'c'm OG-BNS transformation: (0,0,0;a,b,c) Operators (BNS): (1|0,0,0) (2x|1/2,1/2,1/2) (2y|1/2,1/2,1/2) (2z|0,0,0) (-1|0,0,0) (mx|1/2,1/2,1/2) (my|1/2,1/2,1/2) (mz|0,0,0) (1|1/2,1/2,0)' (2x|0,0,1/2)' (2y|0,0,1/2)' (2z|1/2,1/2,0)' (-1|1/2,1/2,0)' (mx|0,0,1/2)' (my|0,0,1/2)' (mz|1/2,1/2,0)' Wyckoff positions (BNS): 16m (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z;mx,my,-mz) 8l (x,y,0;0,0,mz) (x+1/2,-y+1/2,1/2;0,0,-mz) (-x+1/2,y+1/2,1/2;0,0,-mz) (-x,-y,0;0,0,mz) (x+1/2,y+1/2,0;0,0,-mz) (x,-y,1/2;0,0,mz) (-x,y,1/2;0,0,mz) (-x+1/2,-y+1/2,0;0,0,-mz) 8k (1/4,1/4,z;mx,my,0) (3/4,1/4,-z+1/2;mx,-my,0) (1/4,3/4,-z+1/2;-mx,my,0) (3/4,3/4,z;-mx,-my,0) (3/4,3/4,-z;mx,my,0) (1/4,3/4,z+1/2;mx,-my,0) (3/4,1/4,z+1/2;-mx,my,0) (1/4,1/4,-z;-mx,-my,0) 8j (0,1/2,z;0,0,mz) (1/2,0,-z+1/2;0,0,-mz) (0,1/2,-z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) (1/2,0,z;0,0,-mz) (0,1/2,-z+1/2;0,0,mz) (1/2,0,-z;0,0,-mz) (0,1/2,z+1/2;0,0,mz) 8i (0,0,z;0,0,mz) (1/2,1/2,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) (1/2,1/2,z;0,0,-mz) (0,0,-z+1/2;0,0,mz) (1/2,1/2,-z;0,0,-mz) (0,0,z+1/2;0,0,mz) 8h (0,y,1/4;mx,0,mz) (1/2,-y+1/2,1/4;mx,0,-mz) (1/2,y+1/2,1/4;-mx,0,-mz) (0,-y,1/4;-mx,0,mz) (0,-y,3/4;mx,0,mz) (1/2,y+1/2,3/4;mx,0,-mz) (1/2,-y+1/2,3/4;-mx,0,-mz) (0,y,3/4;-mx,0,mz) 8g (x,0,1/4;0,my,mz) (x+1/2,1/2,1/4;0,-my,-mz) (-x+1/2,1/2,1/4;0,my,-mz) (-x,0,1/4;0,-my,mz) (-x,0,3/4;0,my,mz) (-x+1/2,1/2,3/4;0,-my,-mz) (x+1/2,1/2,3/4;0,my,-mz) (x,0,3/4;0,-my,mz) 4f (1/4,3/4,0;0,0,0) (3/4,3/4,1/2;0,0,0) (1/4,1/4,1/2;0,0,0) (3/4,1/4,0;0,0,0) 4e (1/4,1/4,0;0,0,0) (3/4,1/4,1/2;0,0,0) (1/4,3/4,1/2;0,0,0) (3/4,3/4,0;0,0,0) 4d (0,1/2,0;0,0,mz) (1/2,0,1/2;0,0,-mz) (1/2,0,0;0,0,-mz) (0,1/2,1/2;0,0,mz) 4c (0,0,0;0,0,mz) (1/2,1/2,1/2;0,0,-mz) (1/2,1/2,0;0,0,-mz) (0,0,1/2;0,0,mz) 4b (0,1/2,1/4;0,0,mz) (1/2,0,1/4;0,0,-mz) (0,1/2,3/4;0,0,mz) (1/2,0,3/4;0,0,-mz) 4a (0,0,1/4;0,0,mz) (1/2,1/2,1/4;0,0,-mz) (0,0,3/4;0,0,mz) (1/2,1/2,3/4;0,0,-mz) Operators (OG): (1|0,0,0) (2x|1/2,1/2,1/2) (2y|1/2,1/2,1/2) (2z|0,0,0) (-1|0,0,0) (mx|1/2,1/2,1/2) (my|1/2,1/2,1/2) (mz|0,0,0) (1|1/2,1/2,0)' (2x|0,0,1/2)' (2y|0,0,1/2)' (2z|1/2,1/2,0)' (-1|1/2,1/2,0)' (mx|0,0,1/2)' (my|0,0,1/2)' (mz|1/2,1/2,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16m (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z;mx,my,-mz) 8l (x,y,0;0,0,mz) (x+1/2,-y+1/2,1/2;0,0,-mz) (-x+1/2,y+1/2,1/2;0,0,-mz) (-x,-y,0;0,0,mz) (x+1/2,y+1/2,0;0,0,-mz) (x,-y,1/2;0,0,mz) (-x,y,1/2;0,0,mz) (-x+1/2,-y+1/2,0;0,0,-mz) 8k (1/4,1/4,z;mx,my,0) (3/4,1/4,-z+1/2;mx,-my,0) (1/4,3/4,-z+1/2;-mx,my,0) (-1/4,-1/4,z;-mx,-my,0) (-1/4,-1/4,-z;mx,my,0) (1/4,3/4,z+1/2;mx,-my,0) (3/4,1/4,z+1/2;-mx,my,0) (1/4,1/4,-z;-mx,-my,0) 8j (0,1/2,z;0,0,mz) (1/2,0,-z+1/2;0,0,-mz) (0,-1/2,-z;0,0,mz) (1/2,1,z+1/2;0,0,-mz) (1/2,1,z;0,0,-mz) (0,-1/2,-z+1/2;0,0,mz) (1/2,0,-z;0,0,-mz) (0,1/2,z+1/2;0,0,mz) 8i (0,0,z;0,0,mz) (1/2,1/2,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) (1/2,1/2,z;0,0,-mz) (0,0,-z+1/2;0,0,mz) (1/2,1/2,-z;0,0,-mz) (0,0,z+1/2;0,0,mz) 8h (0,y,1/4;mx,0,mz) (1/2,-y+1/2,1/4;mx,0,-mz) (1/2,y+1/2,1/4;-mx,0,-mz) (0,-y,1/4;-mx,0,mz) (0,-y,-1/4;mx,0,mz) (1/2,y+1/2,3/4;mx,0,-mz) (1/2,-y+1/2,3/4;-mx,0,-mz) (0,y,-1/4;-mx,0,mz) 8g (x,0,1/4;0,my,mz) (x+1/2,1/2,1/4;0,-my,-mz) (-x+1/2,1/2,1/4;0,my,-mz) (-x,0,1/4;0,-my,mz) (-x,0,-1/4;0,my,mz) (-x+1/2,1/2,3/4;0,-my,-mz) (x+1/2,1/2,3/4;0,my,-mz) (x,0,-1/4;0,-my,mz) 4f (1/4,3/4,0;0,0,0) (3/4,-1/4,1/2;0,0,0) (1/4,5/4,1/2;0,0,0) (-1/4,-3/4,0;0,0,0) 4e (1/4,1/4,0;0,0,0) (3/4,1/4,1/2;0,0,0) (1/4,3/4,1/2;0,0,0) (-1/4,-1/4,0;0,0,0) 4d (0,1/2,0;0,0,mz) (1/2,0,1/2;0,0,-mz) (1/2,1,0;0,0,-mz) (0,-1/2,1/2;0,0,mz) 4c (0,0,0;0,0,mz) (1/2,1/2,1/2;0,0,-mz) (1/2,1/2,0;0,0,-mz) (0,0,1/2;0,0,mz) 4b (0,1/2,1/4;0,0,mz) (1/2,0,1/4;0,0,-mz) (0,-1/2,-1/4;0,0,mz) (1/2,1,3/4;0,0,-mz) 4a (0,0,1/4;0,0,mz) (1/2,1/2,1/4;0,0,-mz) (0,0,-1/4;0,0,mz) (1/2,1/2,3/4;0,0,-mz) ---------- UNI: 58.404 Pnnm.1'_I[Immm] BNS: 58.404 P_Innm OG: 71.8.628 I_Pm'm'm OG-BNS transformation: (0,0,0;a,b,c) Operators (BNS): (1|0,0,0) (2x|1/2,1/2,1/2) (2y|1/2,1/2,1/2) (2z|0,0,0) (-1|0,0,0) (mx|1/2,1/2,1/2) (my|1/2,1/2,1/2) (mz|0,0,0) (1|1/2,1/2,1/2)' (2x|0,0,0)' (2y|0,0,0)' (2z|1/2,1/2,1/2)' (-1|1/2,1/2,1/2)' (mx|0,0,0)' (my|0,0,0)' (mz|1/2,1/2,1/2)' Wyckoff positions (BNS): 16o (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) 8n (x,y,0;0,0,mz) (x+1/2,-y+1/2,1/2;0,0,-mz) (-x+1/2,y+1/2,1/2;0,0,-mz) (-x,-y,0;0,0,mz) (x+1/2,y+1/2,1/2;0,0,-mz) (x,-y,0;0,0,mz) (-x,y,0;0,0,mz) (-x+1/2,-y+1/2,1/2;0,0,-mz) 8m (x,0,z;mx,0,mz) (x+1/2,1/2,-z+1/2;mx,0,-mz) (-x+1/2,1/2,-z+1/2;-mx,0,-mz) (-x,0,z;-mx,0,mz) (-x,0,-z;mx,0,mz) (-x+1/2,1/2,z+1/2;mx,0,-mz) (x+1/2,1/2,z+1/2;-mx,0,-mz) (x,0,-z;-mx,0,mz) 8l (0,y,z;0,my,mz) (1/2,-y+1/2,-z+1/2;0,-my,-mz) (1/2,y+1/2,-z+1/2;0,my,-mz) (0,-y,z;0,-my,mz) (0,-y,-z;0,my,mz) (1/2,y+1/2,z+1/2;0,-my,-mz) (1/2,-y+1/2,z+1/2;0,my,-mz) (0,y,-z;0,-my,mz) 8k (1/4,1/4,1/4;0,0,0) (3/4,1/4,1/4;0,0,0) (1/4,3/4,1/4;0,0,0) (3/4,3/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) (1/4,3/4,3/4;0,0,0) (3/4,1/4,3/4;0,0,0) (1/4,1/4,3/4;0,0,0) 4j (1/2,0,z;0,0,mz) (0,1/2,-z+1/2;0,0,-mz) (1/2,0,-z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) 4i (0,0,z;0,0,mz) (1/2,1/2,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) 4h (0,y,1/2;0,0,mz) (1/2,-y+1/2,0;0,0,-mz) (1/2,y+1/2,0;0,0,-mz) (0,-y,1/2;0,0,mz) 4g (0,y,0;0,0,mz) (1/2,-y+1/2,1/2;0,0,-mz) (1/2,y+1/2,1/2;0,0,-mz) (0,-y,0;0,0,mz) 4f (x,1/2,0;0,0,mz) (x+1/2,0,1/2;0,0,-mz) (-x+1/2,0,1/2;0,0,-mz) (-x,1/2,0;0,0,mz) 4e (x,0,0;0,0,mz) (x+1/2,1/2,1/2;0,0,-mz) (-x+1/2,1/2,1/2;0,0,-mz) (-x,0,0;0,0,mz) 2d (1/2,0,1/2;0,0,mz) (0,1/2,0;0,0,-mz) 2c (1/2,1/2,0;0,0,mz) (0,0,1/2;0,0,-mz) 2b (0,1/2,1/2;0,0,mz) (1/2,0,0;0,0,-mz) 2a (0,0,0;0,0,mz) (1/2,1/2,1/2;0,0,-mz) Operators (OG): (1|0,0,0) (2x|1/2,1/2,1/2) (2y|1/2,1/2,1/2) (2z|0,0,0) (-1|0,0,0) (mx|1/2,1/2,1/2) (my|1/2,1/2,1/2) (mz|0,0,0) (1|1/2,1/2,1/2)' (2x|0,0,0)' (2y|0,0,0)' (2z|1/2,1/2,1/2)' (-1|1/2,1/2,1/2)' (mx|0,0,0)' (my|0,0,0)' (mz|1/2,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16o (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) 8n (x,y,0;0,0,mz) (x+1/2,-y+1/2,1/2;0,0,-mz) (-x+1/2,y+1/2,1/2;0,0,-mz) (-x,-y,0;0,0,mz) (x+1/2,y+1/2,1/2;0,0,-mz) (x,-y,0;0,0,mz) (-x,y,0;0,0,mz) (-x+1/2,-y+1/2,1/2;0,0,-mz) 8m (x,0,z;mx,0,mz) (x+1/2,1/2,-z+1/2;mx,0,-mz) (-x+1/2,1/2,-z+1/2;-mx,0,-mz) (-x,0,z;-mx,0,mz) (-x,0,-z;mx,0,mz) (-x+1/2,1/2,z+1/2;mx,0,-mz) (x+1/2,1/2,z+1/2;-mx,0,-mz) (x,0,-z;-mx,0,mz) 8l (0,y,z;0,my,mz) (1/2,-y+1/2,-z+1/2;0,-my,-mz) (1/2,y+1/2,-z+1/2;0,my,-mz) (0,-y,z;0,-my,mz) (0,-y,-z;0,my,mz) (1/2,y+1/2,z+1/2;0,-my,-mz) (1/2,-y+1/2,z+1/2;0,my,-mz) (0,y,-z;0,-my,mz) 8k (1/4,1/4,1/4;0,0,0) (3/4,1/4,1/4;0,0,0) (1/4,3/4,1/4;0,0,0) (-1/4,-1/4,1/4;0,0,0) (-1/4,-1/4,-1/4;0,0,0) (1/4,3/4,3/4;0,0,0) (3/4,1/4,3/4;0,0,0) (1/4,1/4,-1/4;0,0,0) 4j (1/2,0,z;0,0,mz) (1,1/2,-z+1/2;0,0,-mz) (-1/2,0,-z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) 4i (0,0,z;0,0,mz) (1/2,1/2,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) 4h (0,y,1/2;0,0,mz) (1/2,-y+1/2,0;0,0,-mz) (1/2,y+1/2,0;0,0,-mz) (0,-y,1/2;0,0,mz) 4g (0,y,0;0,0,mz) (1/2,-y+1/2,1/2;0,0,-mz) (1/2,y+1/2,1/2;0,0,-mz) (0,-y,0;0,0,mz) 4f (x,1/2,0;0,0,mz) (x+1/2,0,1/2;0,0,-mz) (-x+1/2,1,1/2;0,0,-mz) (-x,-1/2,0;0,0,mz) 4e (x,0,0;0,0,mz) (x+1/2,1/2,1/2;0,0,-mz) (-x+1/2,1/2,1/2;0,0,-mz) (-x,0,0;0,0,mz) 2d (1/2,0,1/2;0,0,mz) (1,1/2,0;0,0,-mz) 2c (1/2,1/2,0;0,0,mz) (1,0,1/2;0,0,-mz) 2b (0,1/2,1/2;0,0,mz) (1/2,0,0;0,0,-mz) 2a (0,0,0;0,0,mz) (1/2,1/2,1/2;0,0,-mz) ---------- UNI: 59.405 Pmmn.1 BNS: 59.405 Pmmn OG: 59.1.478 Pmmn Operators: (1|0,0,0) (2x|1/2,0,0) (2y|0,1/2,0) (2z|1/2,1/2,0) (-1|0,0,0) (mx|1/2,0,0) (my|0,1/2,0) (mz|1/2,1/2,0) Wyckoff positions: 8g (x,y,z;mx,my,mz) (x+1/2,-y,-z;mx,-my,-mz) (-x,y+1/2,-z;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y,z;mx,-my,-mz) (x,-y+1/2,z;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) 4f (x,1/4,z;0,my,0) (x+1/2,3/4,-z;0,-my,0) (-x,3/4,-z;0,my,0) (-x+1/2,1/4,z;0,-my,0) 4e (1/4,y,z;mx,0,0) (3/4,-y,-z;mx,0,0) (3/4,y+1/2,-z;-mx,0,0) (1/4,-y+1/2,z;-mx,0,0) 4d (0,0,1/2;mx,my,mz) (1/2,0,1/2;mx,-my,-mz) (0,1/2,1/2;-mx,my,-mz) (1/2,1/2,1/2;-mx,-my,mz) 4c (0,0,0;mx,my,mz) (1/2,0,0;mx,-my,-mz) (0,1/2,0;-mx,my,-mz) (1/2,1/2,0;-mx,-my,mz) 2b (1/4,3/4,z;0,0,0) (3/4,1/4,-z;0,0,0) 2a (1/4,1/4,z;0,0,0) (3/4,3/4,-z;0,0,0) ---------- UNI: 59.406 Pmmn.1' BNS: 59.406 Pmmn1' OG: 59.2.479 Pmmn1' Operators: (1|0,0,0) (2x|1/2,0,0) (2y|0,1/2,0) (2z|1/2,1/2,0) (-1|0,0,0) (mx|1/2,0,0) (my|0,1/2,0) (mz|1/2,1/2,0) (1|0,0,0)' (2x|1/2,0,0)' (2y|0,1/2,0)' (2z|1/2,1/2,0)' (-1|0,0,0)' (mx|1/2,0,0)' (my|0,1/2,0)' (mz|1/2,1/2,0)' Wyckoff positions: 8g (x,y,z;0,0,0) (x+1/2,-y,-z;0,0,0) (-x,y+1/2,-z;0,0,0) (-x+1/2,-y+1/2,z;0,0,0) (-x,-y,-z;0,0,0) (-x+1/2,y,z;0,0,0) (x,-y+1/2,z;0,0,0) (x+1/2,y+1/2,-z;0,0,0) 4f (x,1/4,z;0,0,0) (x+1/2,3/4,-z;0,0,0) (-x,3/4,-z;0,0,0) (-x+1/2,1/4,z;0,0,0) 4e (1/4,y,z;0,0,0) (3/4,-y,-z;0,0,0) (3/4,y+1/2,-z;0,0,0) (1/4,-y+1/2,z;0,0,0) 4d (0,0,1/2;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 4c (0,0,0;0,0,0) (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (1/2,1/2,0;0,0,0) 2b (1/4,3/4,z;0,0,0) (3/4,1/4,-z;0,0,0) 2a (1/4,1/4,z;0,0,0) (3/4,3/4,-z;0,0,0) ---------- UNI: 59.407 Pm'mn BNS: 59.407 Pm'mn OG: 59.3.480 Pm'mn Operators: (1|0,0,0) (2x|1/2,0,0) (2y|0,1/2,0)' (2z|1/2,1/2,0)' (-1|0,0,0)' (mx|1/2,0,0)' (my|0,1/2,0) (mz|1/2,1/2,0) Wyckoff positions: 8g (x,y,z;mx,my,mz) (x+1/2,-y,-z;mx,-my,-mz) (-x,y+1/2,-z;mx,-my,mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,y,z;-mx,my,mz) (x,-y+1/2,z;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) 4f (x,1/4,z;0,my,0) (x+1/2,3/4,-z;0,-my,0) (-x,3/4,-z;0,-my,0) (-x+1/2,1/4,z;0,my,0) 4e (1/4,y,z;0,my,mz) (3/4,-y,-z;0,-my,-mz) (3/4,y+1/2,-z;0,-my,mz) (1/4,-y+1/2,z;0,my,-mz) 4d (0,0,1/2;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 4c (0,0,0;0,0,0) (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (1/2,1/2,0;0,0,0) 2b (1/4,3/4,z;0,my,0) (3/4,1/4,-z;0,-my,0) 2a (1/4,1/4,z;0,my,0) (3/4,3/4,-z;0,-my,0) ---------- UNI: 59.408 Pmmn' BNS: 59.408 Pmmn' OG: 59.4.481 Pmmn' Operators: (1|0,0,0) (2x|1/2,0,0)' (2y|0,1/2,0)' (2z|1/2,1/2,0) (-1|0,0,0)' (mx|1/2,0,0) (my|0,1/2,0) (mz|1/2,1/2,0)' Wyckoff positions: 8g (x,y,z;mx,my,mz) (x+1/2,-y,-z;-mx,my,mz) (-x,y+1/2,-z;mx,-my,mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,y,z;mx,-my,-mz) (x,-y+1/2,z;-mx,my,-mz) (x+1/2,y+1/2,-z;mx,my,-mz) 4f (x,1/4,z;0,my,0) (x+1/2,3/4,-z;0,my,0) (-x,3/4,-z;0,-my,0) (-x+1/2,1/4,z;0,-my,0) 4e (1/4,y,z;mx,0,0) (3/4,-y,-z;-mx,0,0) (3/4,y+1/2,-z;mx,0,0) (1/4,-y+1/2,z;-mx,0,0) 4d (0,0,1/2;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 4c (0,0,0;0,0,0) (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (1/2,1/2,0;0,0,0) 2b (1/4,3/4,z;0,0,0) (3/4,1/4,-z;0,0,0) 2a (1/4,1/4,z;0,0,0) (3/4,3/4,-z;0,0,0) ---------- UNI: 59.409 Pm'm'n BNS: 59.409 Pm'm'n OG: 59.5.482 Pm'm'n Operators: (1|0,0,0) (2x|1/2,0,0)' (2y|0,1/2,0)' (2z|1/2,1/2,0) (-1|0,0,0) (mx|1/2,0,0)' (my|0,1/2,0)' (mz|1/2,1/2,0) Wyckoff positions: 8g (x,y,z;mx,my,mz) (x+1/2,-y,-z;-mx,my,mz) (-x,y+1/2,-z;mx,-my,mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y,z;-mx,my,mz) (x,-y+1/2,z;mx,-my,mz) (x+1/2,y+1/2,-z;-mx,-my,mz) 4f (x,1/4,z;mx,0,mz) (x+1/2,3/4,-z;-mx,0,mz) (-x,3/4,-z;mx,0,mz) (-x+1/2,1/4,z;-mx,0,mz) 4e (1/4,y,z;0,my,mz) (3/4,-y,-z;0,my,mz) (3/4,y+1/2,-z;0,-my,mz) (1/4,-y+1/2,z;0,-my,mz) 4d (0,0,1/2;mx,my,mz) (1/2,0,1/2;-mx,my,mz) (0,1/2,1/2;mx,-my,mz) (1/2,1/2,1/2;-mx,-my,mz) 4c (0,0,0;mx,my,mz) (1/2,0,0;-mx,my,mz) (0,1/2,0;mx,-my,mz) (1/2,1/2,0;-mx,-my,mz) 2b (1/4,3/4,z;0,0,mz) (3/4,1/4,-z;0,0,mz) 2a (1/4,1/4,z;0,0,mz) (3/4,3/4,-z;0,0,mz) ---------- UNI: 59.410 Pmm'n' BNS: 59.410 Pmm'n' OG: 59.6.483 Pmm'n' Operators: (1|0,0,0) (2x|1/2,0,0) (2y|0,1/2,0)' (2z|1/2,1/2,0)' (-1|0,0,0) (mx|1/2,0,0) (my|0,1/2,0)' (mz|1/2,1/2,0)' Wyckoff positions: 8g (x,y,z;mx,my,mz) (x+1/2,-y,-z;mx,-my,-mz) (-x,y+1/2,-z;mx,-my,mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y,z;mx,-my,-mz) (x,-y+1/2,z;mx,-my,mz) (x+1/2,y+1/2,-z;mx,my,-mz) 4f (x,1/4,z;mx,0,mz) (x+1/2,3/4,-z;mx,0,-mz) (-x,3/4,-z;mx,0,mz) (-x+1/2,1/4,z;mx,0,-mz) 4e (1/4,y,z;mx,0,0) (3/4,-y,-z;mx,0,0) (3/4,y+1/2,-z;mx,0,0) (1/4,-y+1/2,z;mx,0,0) 4d (0,0,1/2;mx,my,mz) (1/2,0,1/2;mx,-my,-mz) (0,1/2,1/2;mx,-my,mz) (1/2,1/2,1/2;mx,my,-mz) 4c (0,0,0;mx,my,mz) (1/2,0,0;mx,-my,-mz) (0,1/2,0;mx,-my,mz) (1/2,1/2,0;mx,my,-mz) 2b (1/4,3/4,z;mx,0,0) (3/4,1/4,-z;mx,0,0) 2a (1/4,1/4,z;mx,0,0) (3/4,3/4,-z;mx,0,0) ---------- UNI: 59.411 Pm'm'n' BNS: 59.411 Pm'm'n' OG: 59.7.484 Pm'm'n' Operators: (1|0,0,0) (2x|1/2,0,0) (2y|0,1/2,0) (2z|1/2,1/2,0) (-1|0,0,0)' (mx|1/2,0,0)' (my|0,1/2,0)' (mz|1/2,1/2,0)' Wyckoff positions: 8g (x,y,z;mx,my,mz) (x+1/2,-y,-z;mx,-my,-mz) (-x,y+1/2,-z;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,y,z;-mx,my,mz) (x,-y+1/2,z;mx,-my,mz) (x+1/2,y+1/2,-z;mx,my,-mz) 4f (x,1/4,z;mx,0,mz) (x+1/2,3/4,-z;mx,0,-mz) (-x,3/4,-z;-mx,0,-mz) (-x+1/2,1/4,z;-mx,0,mz) 4e (1/4,y,z;0,my,mz) (3/4,-y,-z;0,-my,-mz) (3/4,y+1/2,-z;0,my,-mz) (1/4,-y+1/2,z;0,-my,mz) 4d (0,0,1/2;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 4c (0,0,0;0,0,0) (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (1/2,1/2,0;0,0,0) 2b (1/4,3/4,z;0,0,mz) (3/4,1/4,-z;0,0,-mz) 2a (1/4,1/4,z;0,0,mz) (3/4,3/4,-z;0,0,-mz) ---------- UNI: 59.412 Pmmn.1'_b[Pmma] BNS: 59.412 P_bmmn OG: 51.14.400 P_2bmma' OG-BNS transformation: (0,-1/2,0;a,2b,c) Operators (BNS): (1|0,0,0) (2x|1/2,0,0) (2y|0,1/2,0) (2z|1/2,1/2,0) (-1|0,0,0) (mx|1/2,0,0) (my|0,1/2,0) (mz|1/2,1/2,0) (1|0,1/2,0)' (2x|1/2,1/2,0)' (2y|0,0,0)' (2z|1/2,0,0)' (-1|0,1/2,0)' (mx|1/2,1/2,0)' (my|0,0,0)' (mz|1/2,0,0)' Wyckoff positions (BNS): 16l (x,y,z;mx,my,mz) (x+1/2,-y,-z;mx,-my,-mz) (-x,y+1/2,-z;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y,z;mx,-my,-mz) (x,-y+1/2,z;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (x,y+1/2,z;-mx,-my,-mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x+1/2,-y,z;mx,my,-mz) (-x,-y+1/2,-z;-mx,-my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x+1/2,y,-z;mx,my,-mz) 8k (1/4,y,z;mx,0,0) (3/4,-y,-z;mx,0,0) (3/4,y+1/2,-z;-mx,0,0) (1/4,-y+1/2,z;-mx,0,0) (1/4,y+1/2,z;-mx,0,0) (3/4,-y+1/2,-z;-mx,0,0) (3/4,y,-z;mx,0,0) (1/4,-y,z;mx,0,0) 8j (x,1/2,z;mx,0,mz) (x+1/2,1/2,-z;mx,0,-mz) (-x,0,-z;-mx,0,-mz) (-x+1/2,0,z;-mx,0,mz) (-x,1/2,-z;mx,0,mz) (-x+1/2,1/2,z;mx,0,-mz) (x,0,z;-mx,0,-mz) (x+1/2,0,-z;-mx,0,mz) 8i (x,1/4,z;0,my,0) (x+1/2,3/4,-z;0,-my,0) (-x,3/4,-z;0,my,0) (-x+1/2,1/4,z;0,-my,0) (x,3/4,z;0,-my,0) (x+1/2,1/4,-z;0,my,0) (-x,1/4,-z;0,-my,0) (-x+1/2,3/4,z;0,my,0) 8h (0,y,1/2;mx,0,mz) (1/2,-y,1/2;mx,0,-mz) (0,y+1/2,1/2;-mx,0,-mz) (1/2,-y+1/2,1/2;-mx,0,mz) (0,-y,1/2;mx,0,mz) (1/2,y,1/2;mx,0,-mz) (0,-y+1/2,1/2;-mx,0,-mz) (1/2,y+1/2,1/2;-mx,0,mz) 8g (0,y,0;mx,0,mz) (1/2,-y,0;mx,0,-mz) (0,y+1/2,0;-mx,0,-mz) (1/2,-y+1/2,0;-mx,0,mz) (0,-y,0;mx,0,mz) (1/2,y,0;mx,0,-mz) (0,-y+1/2,0;-mx,0,-mz) (1/2,y+1/2,0;-mx,0,mz) 4f (1/4,1/2,z;mx,0,0) (3/4,1/2,-z;mx,0,0) (3/4,0,-z;-mx,0,0) (1/4,0,z;-mx,0,0) 4e (1/4,1/4,z;0,0,0) (3/4,3/4,-z;0,0,0) (1/4,3/4,z;0,0,0) (3/4,1/4,-z;0,0,0) 4d (0,1/2,1/2;mx,0,mz) (1/2,1/2,1/2;mx,0,-mz) (0,0,1/2;-mx,0,-mz) (1/2,0,1/2;-mx,0,mz) 4c (0,1/4,1/2;0,0,0) (1/2,3/4,1/2;0,0,0) (0,3/4,1/2;0,0,0) (1/2,1/4,1/2;0,0,0) 4b (0,1/2,0;mx,0,mz) (1/2,1/2,0;mx,0,-mz) (0,0,0;-mx,0,-mz) (1/2,0,0;-mx,0,mz) 4a (0,1/4,0;0,0,0) (1/2,3/4,0;0,0,0) (0,3/4,0;0,0,0) (1/2,1/4,0;0,0,0) Operators (OG): (1|0,0,0) (2x|1/2,1,0) (2y|0,1,0) (2z|1/2,0,0) (-1|0,1,0) (mx|1/2,0,0) (my|0,0,0) (mz|1/2,1,0) (1|0,1,0)' (2x|1/2,0,0)' (2y|0,0,0)' (2z|1/2,1,0)' (-1|0,0,0)' (mx|1/2,1,0)' (my|0,1,0)' (mz|1/2,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,2,0)+ (0,0,1)+ 16l (x,y,z;mx,my,mz) (x+1/2,-y+1,-z;mx,-my,-mz) (-x,y+1,-z;-mx,my,-mz) (-x+1/2,-y,z;-mx,-my,mz) (-x,-y+1,-z;mx,my,mz) (-x+1/2,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x+1/2,y+1,-z;-mx,-my,mz) (x,y+1,z;-mx,-my,-mz) (x+1/2,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x+1/2,-y+1,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,y+1,z;-mx,my,mz) (x,-y+1,z;mx,-my,mz) (x+1/2,y,-z;mx,my,-mz) 8k (1/4,y,z;mx,0,0) (3/4,-y+1,-z;mx,0,0) (-1/4,y+1,-z;-mx,0,0) (1/4,-y,z;-mx,0,0) (1/4,y+1,z;-mx,0,0) (3/4,-y,-z;-mx,0,0) (-1/4,y,-z;mx,0,0) (1/4,-y+1,z;mx,0,0) 8j (x,1/2,z;mx,0,mz) (x+1/2,1/2,-z;mx,0,-mz) (-x,3/2,-z;-mx,0,-mz) (-x+1/2,-1/2,z;-mx,0,mz) (-x,1/2,-z;mx,0,mz) (-x+1/2,1/2,z;mx,0,-mz) (x,-1/2,z;-mx,0,-mz) (x+1/2,3/2,-z;-mx,0,mz) 8i (x,0,z;0,my,0) (x+1/2,1,-z;0,-my,0) (-x,1,-z;0,my,0) (-x+1/2,0,z;0,-my,0) (x,1,z;0,-my,0) (x+1/2,0,-z;0,my,0) (-x,0,-z;0,-my,0) (-x+1/2,1,z;0,my,0) 8h (0,y,1/2;mx,0,mz) (1/2,-y+1,-1/2;mx,0,-mz) (0,y+1,-1/2;-mx,0,-mz) (1/2,-y,1/2;-mx,0,mz) (0,-y+1,-1/2;mx,0,mz) (1/2,y,1/2;mx,0,-mz) (0,-y,1/2;-mx,0,-mz) (1/2,y+1,-1/2;-mx,0,mz) 8g (0,y,0;mx,0,mz) (1/2,-y+1,0;mx,0,-mz) (0,y+1,0;-mx,0,-mz) (1/2,-y,0;-mx,0,mz) (0,-y+1,0;mx,0,mz) (1/2,y,0;mx,0,-mz) (0,-y,0;-mx,0,-mz) (1/2,y+1,0;-mx,0,mz) 4f (1/4,1/2,z;mx,0,0) (3/4,1/2,-z;mx,0,0) (-1/4,3/2,-z;-mx,0,0) (1/4,-1/2,z;-mx,0,0) 4e (1/4,0,z;0,0,0) (3/4,1,-z;0,0,0) (1/4,1,z;0,0,0) (3/4,0,-z;0,0,0) 4d (0,1/2,1/2;mx,0,mz) (1/2,1/2,-1/2;mx,0,-mz) (0,3/2,-1/2;-mx,0,-mz) (1/2,-1/2,1/2;-mx,0,mz) 4c (0,0,1/2;0,0,0) (1/2,1,-1/2;0,0,0) (0,1,-1/2;0,0,0) (1/2,0,1/2;0,0,0) 4b (0,1/2,0;mx,0,mz) (1/2,1/2,0;mx,0,-mz) (0,3/2,0;-mx,0,-mz) (1/2,-1/2,0;-mx,0,mz) 4a (0,0,0;0,0,0) (1/2,1,0;0,0,0) (0,1,0;0,0,0) (1/2,0,0;0,0,0) ---------- UNI: 59.413 Pmmn.1'_c[Pmmn] BNS: 59.413 P_cmmn OG: 59.8.485 P_2cmmn OG-BNS transformation: (0,0,0;a,b,2c) Operators (BNS): (1|0,0,0) (2x|1/2,0,0) (2y|0,1/2,0) (2z|1/2,1/2,0) (-1|0,0,0) (mx|1/2,0,0) (my|0,1/2,0) (mz|1/2,1/2,0) (1|0,0,1/2)' (2x|1/2,0,1/2)' (2y|0,1/2,1/2)' (2z|1/2,1/2,1/2)' (-1|0,0,1/2)' (mx|1/2,0,1/2)' (my|0,1/2,1/2)' (mz|1/2,1/2,1/2)' Wyckoff positions (BNS): 16g (x,y,z;mx,my,mz) (x+1/2,-y,-z;mx,-my,-mz) (-x,y+1/2,-z;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y,z;mx,-my,-mz) (x,-y+1/2,z;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (x,y,z+1/2;-mx,-my,-mz) (x+1/2,-y,-z+1/2;-mx,my,mz) (-x,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x,-y,-z+1/2;-mx,-my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x,-y+1/2,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) 8f (x,1/4,z;0,my,0) (x+1/2,3/4,-z;0,-my,0) (-x,3/4,-z;0,my,0) (-x+1/2,1/4,z;0,-my,0) (x,1/4,z+1/2;0,-my,0) (x+1/2,3/4,-z+1/2;0,my,0) (-x,3/4,-z+1/2;0,-my,0) (-x+1/2,1/4,z+1/2;0,my,0) 8e (1/4,y,z;mx,0,0) (3/4,-y,-z;mx,0,0) (3/4,y+1/2,-z;-mx,0,0) (1/4,-y+1/2,z;-mx,0,0) (1/4,y,z+1/2;-mx,0,0) (3/4,-y,-z+1/2;-mx,0,0) (3/4,y+1/2,-z+1/2;mx,0,0) (1/4,-y+1/2,z+1/2;mx,0,0) 8d (0,0,1/4;0,0,0) (1/2,0,3/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,1/2,1/4;0,0,0) (0,0,3/4;0,0,0) (1/2,0,1/4;0,0,0) (0,1/2,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) 8c (0,0,0;mx,my,mz) (1/2,0,0;mx,-my,-mz) (0,1/2,0;-mx,my,-mz) (1/2,1/2,0;-mx,-my,mz) (0,0,1/2;-mx,-my,-mz) (1/2,0,1/2;-mx,my,mz) (0,1/2,1/2;mx,-my,mz) (1/2,1/2,1/2;mx,my,-mz) 4b (1/4,3/4,z;0,0,0) (3/4,1/4,-z;0,0,0) (1/4,3/4,z+1/2;0,0,0) (3/4,1/4,-z+1/2;0,0,0) 4a (1/4,1/4,z;0,0,0) (3/4,3/4,-z;0,0,0) (1/4,1/4,z+1/2;0,0,0) (3/4,3/4,-z+1/2;0,0,0) Operators (OG): (1|0,0,0) (2x|1/2,0,0) (2y|0,1/2,0) (2z|1/2,1/2,0) (-1|0,0,0) (mx|1/2,0,0) (my|0,1/2,0) (mz|1/2,1/2,0) (1|0,0,1)' (2x|1/2,0,1)' (2y|0,1/2,1)' (2z|1/2,1/2,1)' (-1|0,0,1)' (mx|1/2,0,1)' (my|0,1/2,1)' (mz|1/2,1/2,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 16g (x,y,z;mx,my,mz) (x+1/2,-y,-z;mx,-my,-mz) (-x,y+1/2,-z;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y,z;mx,-my,-mz) (x,-y+1/2,z;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (x,y,z+1;-mx,-my,-mz) (x+1/2,-y,-z+1;-mx,my,mz) (-x,y+1/2,-z+1;mx,-my,mz) (-x+1/2,-y+1/2,z+1;mx,my,-mz) (-x,-y,-z+1;-mx,-my,-mz) (-x+1/2,y,z+1;-mx,my,mz) (x,-y+1/2,z+1;mx,-my,mz) (x+1/2,y+1/2,-z+1;mx,my,-mz) 8f (x,1/4,z;0,my,0) (x+1/2,-1/4,-z;0,-my,0) (-x,3/4,-z;0,my,0) (-x+1/2,1/4,z;0,-my,0) (x,1/4,z+1;0,-my,0) (x+1/2,-1/4,-z+1;0,my,0) (-x,3/4,-z+1;0,-my,0) (-x+1/2,1/4,z+1;0,my,0) 8e (1/4,y,z;mx,0,0) (3/4,-y,-z;mx,0,0) (-1/4,y+1/2,-z;-mx,0,0) (1/4,-y+1/2,z;-mx,0,0) (1/4,y,z+1;-mx,0,0) (3/4,-y,-z+1;-mx,0,0) (-1/4,y+1/2,-z+1;mx,0,0) (1/4,-y+1/2,z+1;mx,0,0) 8d (0,0,1/2;0,0,0) (1/2,0,-1/2;0,0,0) (0,1/2,-1/2;0,0,0) (1/2,1/2,1/2;0,0,0) (0,0,-1/2;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,-1/2;0,0,0) 8c (0,0,0;mx,my,mz) (1/2,0,0;mx,-my,-mz) (0,1/2,0;-mx,my,-mz) (1/2,1/2,0;-mx,-my,mz) (0,0,1;-mx,-my,-mz) (1/2,0,1;-mx,my,mz) (0,1/2,1;mx,-my,mz) (1/2,1/2,1;mx,my,-mz) 4b (1/4,3/4,z;0,0,0) (3/4,-3/4,-z;0,0,0) (1/4,3/4,z+1;0,0,0) (3/4,-3/4,-z+1;0,0,0) 4a (1/4,1/4,z;0,0,0) (3/4,-1/4,-z;0,0,0) (1/4,1/4,z+1;0,0,0) (3/4,-1/4,-z+1;0,0,0) ---------- UNI: 59.414 Pmmn.1'_B[Bmmb] BNS: 59.414 P_Bmmn OG: 63.12.522 C_Pmc'm OG-BNS transformation: (-1/4,1/4,1/2;a,-c,b) Operators (BNS): (1|0,0,0) (2x|1/2,0,0) (2y|0,1/2,0) (2z|1/2,1/2,0) (-1|0,0,0) (mx|1/2,0,0) (my|0,1/2,0) (mz|1/2,1/2,0) (1|1/2,0,1/2)' (2x|0,0,1/2)' (2y|1/2,1/2,1/2)' (2z|0,1/2,1/2)' (-1|1/2,0,1/2)' (mx|0,0,1/2)' (my|1/2,1/2,1/2)' (mz|0,1/2,1/2)' Wyckoff positions (BNS): 16h (x,y,z;mx,my,mz) (x+1/2,-y,-z;mx,-my,-mz) (-x,y+1/2,-z;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y,z;mx,-my,-mz) (x,-y+1/2,z;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (x+1/2,y,z+1/2;-mx,-my,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,-y,-z+1/2;-mx,-my,-mz) (-x,y,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (x,y+1/2,-z+1/2;mx,my,-mz) 8g (x,1/4,z;0,my,0) (x+1/2,3/4,-z;0,-my,0) (-x,3/4,-z;0,my,0) (-x+1/2,1/4,z;0,-my,0) (x+1/2,1/4,z+1/2;0,-my,0) (x,3/4,-z+1/2;0,my,0) (-x+1/2,3/4,-z+1/2;0,-my,0) (-x,1/4,z+1/2;0,my,0) 8f (1/4,y,z;mx,0,0) (3/4,-y,-z;mx,0,0) (3/4,y+1/2,-z;-mx,0,0) (1/4,-y+1/2,z;-mx,0,0) (3/4,y,z+1/2;-mx,0,0) (1/4,-y,-z+1/2;-mx,0,0) (1/4,y+1/2,-z+1/2;mx,0,0) (3/4,-y+1/2,z+1/2;mx,0,0) 8e (x,1/2,3/4;0,my,mz) (x+1/2,1/2,1/4;0,-my,-mz) (-x,0,1/4;0,my,-mz) (-x+1/2,0,3/4;0,-my,mz) (-x,1/2,1/4;0,my,mz) (-x+1/2,1/2,3/4;0,-my,-mz) (x,0,3/4;0,my,-mz) (x+1/2,0,1/4;0,-my,mz) 8d (1/2,1/2,0;mx,my,mz) (0,1/2,0;mx,-my,-mz) (1/2,0,0;-mx,my,-mz) (0,0,0;-mx,-my,mz) (0,1/2,1/2;-mx,-my,-mz) (1/2,1/2,1/2;-mx,my,mz) (0,0,1/2;mx,-my,mz) (1/2,0,1/2;mx,my,-mz) 4c (1/4,1/4,z;0,0,0) (3/4,3/4,-z;0,0,0) (3/4,1/4,z+1/2;0,0,0) (1/4,3/4,-z+1/2;0,0,0) 4b (1/4,1/2,1/4;0,0,0) (3/4,1/2,3/4;0,0,0) (3/4,0,3/4;0,0,0) (1/4,0,1/4;0,0,0) 4a (1/4,1/2,3/4;0,0,0) (3/4,1/2,1/4;0,0,0) (3/4,0,1/4;0,0,0) (1/4,0,3/4;0,0,0) Operators (OG): (1|0,0,0) (2x|1/2,1/2,0) (2z|1/2,1/2,1/2) (2y|0,0,1/2) (-1|1/2,1/2,0) (mx|0,0,0) (mz|0,0,1/2) (my|1/2,1/2,1/2) (1|1/2,1/2,0)' (2x|0,0,0)' (2z|0,0,1/2)' (2y|1/2,1/2,1/2)' (-1|0,0,0)' (mx|1/2,1/2,0)' (mz|1/2,1/2,1/2)' (my|0,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,0,-1)+ (0,1,0)+ 16h (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x+1/2,-y+1/2,z+1/2;-mx,-my,mz) (-x,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x,y,-z+1/2;-mx,-my,mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x,-y,-z;-mx,my,mz) (-x,-y,z+1/2;mx,my,-mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) (x,-y,z+1/2;mx,-my,mz) 8g (x,y,1/4;0,0,mz) (x+1/2,-y+1/2,-1/4;0,0,-mz) (-x+1/2,-y+1/2,3/4;0,0,mz) (-x,y,1/4;0,0,-mz) (x+1/2,y+1/2,1/4;0,0,-mz) (x,-y,-1/4;0,0,mz) (-x,-y,3/4;0,0,-mz) (-x+1/2,y+1/2,1/4;0,0,mz) 8f (0,y,z;mx,0,0) (1/2,-y+1/2,-z;mx,0,0) (1/2,-y+1/2,z+1/2;-mx,0,0) (0,y,-z+1/2;-mx,0,0) (1/2,y+1/2,z;-mx,0,0) (0,-y,-z;-mx,0,0) (0,-y,z+1/2;mx,0,0) (1/2,y+1/2,-z+1/2;mx,0,0) 8e (x,0,0;0,my,mz) (x+1/2,1/2,0;0,-my,-mz) (-x+1/2,1/2,1/2;0,-my,mz) (-x,0,1/2;0,my,-mz) (-x+1/2,1/2,0;0,my,mz) (-x,0,0;0,-my,-mz) (x,0,1/2;0,-my,mz) (x+1/2,1/2,1/2;0,my,-mz) 8d (1/4,1/4,0;mx,my,mz) (3/4,1/4,0;mx,-my,-mz) (1/4,1/4,1/2;-mx,-my,mz) (-1/4,1/4,1/2;-mx,my,-mz) (3/4,3/4,0;-mx,-my,-mz) (1/4,-1/4,0;-mx,my,mz) (-1/4,-1/4,1/2;mx,my,-mz) (1/4,3/4,1/2;mx,-my,mz) 4c (0,y,1/4;0,0,0) (1/2,-y+1/2,-1/4;0,0,0) (1/2,y+1/2,1/4;0,0,0) (0,-y,-1/4;0,0,0) 4b (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) 4a (0,0,0;0,0,0) (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) (0,0,1/2;0,0,0) ---------- UNI: 59.415 Pmmn.1'_C[Cmmm] BNS: 59.415 P_Cmmn OG: 65.14.558 C_Pmmm' OG-BNS transformation: (-1/4,-1/4,0;a,b,c) Operators (BNS): (1|0,0,0) (2x|1/2,0,0) (2y|0,1/2,0) (2z|1/2,1/2,0) (-1|0,0,0) (mx|1/2,0,0) (my|0,1/2,0) (mz|1/2,1/2,0) (1|1/2,1/2,0)' (2x|0,1/2,0)' (2y|1/2,0,0)' (2z|0,0,0)' (-1|1/2,1/2,0)' (mx|0,1/2,0)' (my|1/2,0,0)' (mz|0,0,0)' Wyckoff positions (BNS): 16r (x,y,z;mx,my,mz) (x+1/2,-y,-z;mx,-my,-mz) (-x,y+1/2,-z;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y,z;mx,-my,-mz) (x,-y+1/2,z;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x,-y+1/2,-z;-mx,my,mz) (-x+1/2,y,-z;mx,-my,mz) (-x,-y,z;mx,my,-mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (-x,y+1/2,z;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) (x,y,-z;mx,my,-mz) 8q (x,y,1/2;mx,my,0) (x+1/2,-y,1/2;mx,-my,0) (-x,y+1/2,1/2;-mx,my,0) (-x+1/2,-y+1/2,1/2;-mx,-my,0) (-x,-y,1/2;mx,my,0) (-x+1/2,y,1/2;mx,-my,0) (x,-y+1/2,1/2;-mx,my,0) (x+1/2,y+1/2,1/2;-mx,-my,0) 8p (x,y,0;mx,my,0) (x+1/2,-y,0;mx,-my,0) (-x,y+1/2,0;-mx,my,0) (-x+1/2,-y+1/2,0;-mx,-my,0) (-x,-y,0;mx,my,0) (-x+1/2,y,0;mx,-my,0) (x,-y+1/2,0;-mx,my,0) (x+1/2,y+1/2,0;-mx,-my,0) 8o (x,1/4,z;0,my,0) (x+1/2,3/4,-z;0,-my,0) (-x,3/4,-z;0,my,0) (-x+1/2,1/4,z;0,-my,0) (x+1/2,3/4,z;0,-my,0) (x,1/4,-z;0,my,0) (-x+1/2,1/4,-z;0,-my,0) (-x,3/4,z;0,my,0) 8n (1/4,y,z;mx,0,0) (3/4,-y,-z;mx,0,0) (3/4,y+1/2,-z;-mx,0,0) (1/4,-y+1/2,z;-mx,0,0) (3/4,y+1/2,z;-mx,0,0) (1/4,-y+1/2,-z;-mx,0,0) (1/4,y,-z;mx,0,0) (3/4,-y,z;mx,0,0) 8m (1/2,1/2,z;mx,my,0) (0,1/2,-z;mx,-my,0) (1/2,0,-z;-mx,my,0) (0,0,z;-mx,-my,0) (1/2,1/2,-z;mx,my,0) (0,1/2,z;mx,-my,0) (1/2,0,z;-mx,my,0) (0,0,-z;-mx,-my,0) 4l (1/4,3/4,z;0,0,0) (3/4,1/4,-z;0,0,0) (3/4,1/4,z;0,0,0) (1/4,3/4,-z;0,0,0) 4k (1/4,1/4,z;0,0,0) (3/4,3/4,-z;0,0,0) (3/4,3/4,z;0,0,0) (1/4,1/4,-z;0,0,0) 4j (1/4,y,1/2;mx,0,0) (3/4,-y,1/2;mx,0,0) (3/4,y+1/2,1/2;-mx,0,0) (1/4,-y+1/2,1/2;-mx,0,0) 4i (1/4,y,0;mx,0,0) (3/4,-y,0;mx,0,0) (3/4,y+1/2,0;-mx,0,0) (1/4,-y+1/2,0;-mx,0,0) 4h (x,1/4,1/2;0,my,0) (x+1/2,3/4,1/2;0,-my,0) (-x,3/4,1/2;0,my,0) (-x+1/2,1/4,1/2;0,-my,0) 4g (x,1/4,0;0,my,0) (x+1/2,3/4,0;0,-my,0) (-x,3/4,0;0,my,0) (-x+1/2,1/4,0;0,-my,0) 4f (1/2,1/2,1/2;mx,my,0) (0,1/2,1/2;mx,-my,0) (1/2,0,1/2;-mx,my,0) (0,0,1/2;-mx,-my,0) 4e (1/2,1/2,0;mx,my,0) (0,1/2,0;mx,-my,0) (1/2,0,0;-mx,my,0) (0,0,0;-mx,-my,0) 2d (1/4,1/4,1/2;0,0,0) (3/4,3/4,1/2;0,0,0) 2c (3/4,1/4,1/2;0,0,0) (1/4,3/4,1/2;0,0,0) 2b (3/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) 2a (1/4,1/4,0;0,0,0) (3/4,3/4,0;0,0,0) Operators (OG): (1|0,0,0) (2x|1/2,1/2,0) (2y|1/2,1/2,0) (2z|0,0,0) (-1|1/2,1/2,0) (mx|0,0,0) (my|0,0,0) (mz|1/2,1/2,0) (1|1/2,1/2,0)' (2x|0,0,0)' (2y|0,0,0)' (2z|1/2,1/2,0)' (-1|0,0,0)' (mx|1/2,1/2,0)' (my|1/2,1/2,0)' (mz|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16r (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y+1/2,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,-y+1/2,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z;mx,-my,mz) (x,y,-z;mx,my,-mz) 8q (x,y,1/2;mx,my,0) (x+1/2,-y+1/2,-1/2;mx,-my,0) (-x+1/2,y+1/2,-1/2;-mx,my,0) (-x,-y,1/2;-mx,-my,0) (-x+1/2,-y+1/2,-1/2;mx,my,0) (-x,y,1/2;mx,-my,0) (x,-y,1/2;-mx,my,0) (x+1/2,y+1/2,-1/2;-mx,-my,0) 8p (x,y,0;mx,my,0) (x+1/2,-y+1/2,0;mx,-my,0) (-x+1/2,y+1/2,0;-mx,my,0) (-x,-y,0;-mx,-my,0) (-x+1/2,-y+1/2,0;mx,my,0) (-x,y,0;mx,-my,0) (x,-y,0;-mx,my,0) (x+1/2,y+1/2,0;-mx,-my,0) 8o (x,0,z;0,my,0) (x+1/2,1/2,-z;0,-my,0) (-x+1/2,1/2,-z;0,my,0) (-x,0,z;0,-my,0) (x+1/2,1/2,z;0,-my,0) (x,0,-z;0,my,0) (-x,0,-z;0,-my,0) (-x+1/2,1/2,z;0,my,0) 8n (0,y,z;mx,0,0) (1/2,-y+1/2,-z;mx,0,0) (1/2,y+1/2,-z;-mx,0,0) (0,-y,z;-mx,0,0) (1/2,y+1/2,z;-mx,0,0) (0,-y,-z;-mx,0,0) (0,y,-z;mx,0,0) (1/2,-y+1/2,z;mx,0,0) 8m (1/4,1/4,z;mx,my,0) (3/4,1/4,-z;mx,-my,0) (1/4,3/4,-z;-mx,my,0) (-1/4,-1/4,z;-mx,-my,0) (1/4,1/4,-z;mx,my,0) (-1/4,1/4,z;mx,-my,0) (1/4,-1/4,z;-mx,my,0) (3/4,3/4,-z;-mx,-my,0) 4l (0,1/2,z;0,0,0) (1/2,0,-z;0,0,0) (1/2,1,z;0,0,0) (0,-1/2,-z;0,0,0) 4k (0,0,z;0,0,0) (1/2,1/2,-z;0,0,0) (1/2,1/2,z;0,0,0) (0,0,-z;0,0,0) 4j (0,y,1/2;mx,0,0) (1/2,-y+1/2,-1/2;mx,0,0) (1/2,y+1/2,-1/2;-mx,0,0) (0,-y,1/2;-mx,0,0) 4i (0,y,0;mx,0,0) (1/2,-y+1/2,0;mx,0,0) (1/2,y+1/2,0;-mx,0,0) (0,-y,0;-mx,0,0) 4h (x,0,1/2;0,my,0) (x+1/2,1/2,-1/2;0,-my,0) (-x+1/2,1/2,-1/2;0,my,0) (-x,0,1/2;0,-my,0) 4g (x,0,0;0,my,0) (x+1/2,1/2,0;0,-my,0) (-x+1/2,1/2,0;0,my,0) (-x,0,0;0,-my,0) 4f (1/4,1/4,1/2;mx,my,0) (3/4,1/4,-1/2;mx,-my,0) (1/4,3/4,-1/2;-mx,my,0) (-1/4,-1/4,1/2;-mx,-my,0) 4e (1/4,1/4,0;mx,my,0) (3/4,1/4,0;mx,-my,0) (1/4,3/4,0;-mx,my,0) (-1/4,-1/4,0;-mx,-my,0) 2d (0,0,1/2;0,0,0) (1/2,1/2,-1/2;0,0,0) 2c (1/2,0,1/2;0,0,0) (1,1/2,-1/2;0,0,0) 2b (1/2,0,0;0,0,0) (1,1/2,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,0;0,0,0) ---------- UNI: 59.416 Pmmn.1'_I[Immm] BNS: 59.416 P_Immn OG: 71.7.627 I_Pm'mm OG-BNS transformation: (1/4,-1/4,-1/4;b,c,a) Operators (BNS): (1|0,0,0) (2x|1/2,0,0) (2y|0,1/2,0) (2z|1/2,1/2,0) (-1|0,0,0) (mx|1/2,0,0) (my|0,1/2,0) (mz|1/2,1/2,0) (1|1/2,1/2,1/2)' (2x|0,1/2,1/2)' (2y|1/2,0,1/2)' (2z|0,0,1/2)' (-1|1/2,1/2,1/2)' (mx|0,1/2,1/2)' (my|1/2,0,1/2)' (mz|0,0,1/2)' Wyckoff positions (BNS): 16o (x,y,z;mx,my,mz) (x+1/2,-y,-z;mx,-my,-mz) (-x,y+1/2,-z;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y,z;mx,-my,-mz) (x,-y+1/2,z;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x,-y,z+1/2;mx,my,-mz) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (-x,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) (x,y,-z+1/2;mx,my,-mz) 8n (x,1/4,z;0,my,0) (x+1/2,3/4,-z;0,-my,0) (-x,3/4,-z;0,my,0) (-x+1/2,1/4,z;0,-my,0) (x+1/2,3/4,z+1/2;0,-my,0) (x,1/4,-z+1/2;0,my,0) (-x+1/2,1/4,-z+1/2;0,-my,0) (-x,3/4,z+1/2;0,my,0) 8m (1/4,y,z;mx,0,0) (3/4,-y,-z;mx,0,0) (3/4,y+1/2,-z;-mx,0,0) (1/4,-y+1/2,z;-mx,0,0) (3/4,y+1/2,z+1/2;-mx,0,0) (1/4,-y+1/2,-z+1/2;-mx,0,0) (1/4,y,-z+1/2;mx,0,0) (3/4,-y,z+1/2;mx,0,0) 8l (x,y,3/4;mx,my,0) (x+1/2,-y,1/4;mx,-my,0) (-x,y+1/2,1/4;-mx,my,0) (-x+1/2,-y+1/2,3/4;-mx,-my,0) (-x,-y,1/4;mx,my,0) (-x+1/2,y,3/4;mx,-my,0) (x,-y+1/2,3/4;-mx,my,0) (x+1/2,y+1/2,1/4;-mx,-my,0) 8k (1/2,1/2,0;mx,my,mz) (0,1/2,0;mx,-my,-mz) (1/2,0,0;-mx,my,-mz) (0,0,0;-mx,-my,mz) (0,0,1/2;-mx,-my,-mz) (1/2,0,1/2;-mx,my,mz) (0,1/2,1/2;mx,-my,mz) (1/2,1/2,1/2;mx,my,-mz) 4j (1/4,y,1/4;mx,0,0) (3/4,-y,3/4;mx,0,0) (3/4,y+1/2,3/4;-mx,0,0) (1/4,-y+1/2,1/4;-mx,0,0) 4i (1/4,y,3/4;mx,0,0) (3/4,-y,1/4;mx,0,0) (3/4,y+1/2,1/4;-mx,0,0) (1/4,-y+1/2,3/4;-mx,0,0) 4h (x,3/4,3/4;0,my,0) (x+1/2,1/4,1/4;0,-my,0) (-x,1/4,1/4;0,my,0) (-x+1/2,3/4,3/4;0,-my,0) 4g (x,1/4,3/4;0,my,0) (x+1/2,3/4,1/4;0,-my,0) (-x,3/4,1/4;0,my,0) (-x+1/2,1/4,3/4;0,-my,0) 4f (3/4,1/4,z;0,0,0) (1/4,3/4,-z;0,0,0) (1/4,3/4,z+1/2;0,0,0) (3/4,1/4,-z+1/2;0,0,0) 4e (1/4,1/4,z;0,0,0) (3/4,3/4,-z;0,0,0) (3/4,3/4,z+1/2;0,0,0) (1/4,1/4,-z+1/2;0,0,0) 2d (1/4,3/4,1/4;0,0,0) (3/4,1/4,3/4;0,0,0) 2c (3/4,1/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) 2b (3/4,3/4,3/4;0,0,0) (1/4,1/4,1/4;0,0,0) 2a (1/4,1/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) Operators (OG): (1|0,0,0) (2y|1/2,1/2,1/2) (2z|1/2,1/2,1/2) (2x|0,0,0) (-1|1/2,1/2,1/2) (my|0,0,0) (mz|0,0,0) (mx|1/2,1/2,1/2) (1|1/2,1/2,1/2)' (2y|0,0,0)' (2z|0,0,0)' (2x|1/2,1/2,1/2)' (-1|0,0,0)' (my|1/2,1/2,1/2)' (mz|1/2,1/2,1/2)' (mx|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (0,1,0)+ (0,0,1)+ (1,0,0)+ 16o (x,y,z;mx,my,mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z+1/2;-mx,-my,mz) (x,-y,-z;mx,-my,-mz) (-x+1/2,-y+1/2,-z+1/2;mx,my,mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-x,y,-z;mx,-my,mz) (-x,-y,z;mx,my,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x,-y,-z;-mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) (-x,y,z;-mx,my,mz) 8n (x,y,0;0,0,mz) (-x+1/2,y+1/2,1/2;0,0,-mz) (-x+1/2,-y+1/2,1/2;0,0,mz) (x,-y,0;0,0,-mz) (x+1/2,y+1/2,1/2;0,0,-mz) (-x,y,0;0,0,mz) (-x,-y,0;0,0,-mz) (x+1/2,-y+1/2,1/2;0,0,mz) 8m (x,0,z;0,my,0) (-x+1/2,1/2,-z+1/2;0,my,0) (-x+1/2,1/2,z+1/2;0,-my,0) (x,0,-z;0,-my,0) (x+1/2,1/2,z+1/2;0,-my,0) (-x,0,-z;0,-my,0) (-x,0,z;0,my,0) (x+1/2,1/2,-z+1/2;0,my,0) 8l (0,y,z;0,my,mz) (1/2,y+1/2,-z+1/2;0,my,-mz) (1/2,-y+1/2,z+1/2;0,-my,mz) (0,-y,-z;0,-my,-mz) (1/2,-y+1/2,-z+1/2;0,my,mz) (0,-y,z;0,my,-mz) (0,y,-z;0,-my,mz) (1/2,y+1/2,z+1/2;0,-my,-mz) 8k (1/4,1/4,1/4;mx,my,mz) (1/4,3/4,1/4;-mx,my,-mz) (1/4,1/4,3/4;-mx,-my,mz) (1/4,-1/4,-1/4;mx,-my,-mz) (3/4,3/4,3/4;-mx,-my,-mz) (-1/4,1/4,-1/4;mx,-my,mz) (-1/4,-1/4,1/4;mx,my,-mz) (3/4,1/4,1/4;-mx,my,mz) 4j (1/2,0,z;0,my,0) (0,1/2,-z+1/2;0,my,0) (0,1/2,z+1/2;0,-my,0) (1/2,0,-z;0,-my,0) 4i (0,0,z;0,my,0) (1/2,1/2,-z+1/2;0,my,0) (1/2,1/2,z+1/2;0,-my,0) (0,0,-z;0,-my,0) 4h (0,y,1/2;0,0,mz) (1/2,y+1/2,0;0,0,-mz) (1/2,-y+1/2,1;0,0,mz) (0,-y,-1/2;0,0,-mz) 4g (0,y,0;0,0,mz) (1/2,y+1/2,1/2;0,0,-mz) (1/2,-y+1/2,1/2;0,0,mz) (0,-y,0;0,0,-mz) 4f (x,1/2,0;0,0,0) (-x+1/2,1,1/2;0,0,0) (x+1/2,1,1/2;0,0,0) (-x,1/2,0;0,0,0) 4e (x,0,0;0,0,0) (-x+1/2,1/2,1/2;0,0,0) (x+1/2,1/2,1/2;0,0,0) (-x,0,0;0,0,0) 2d (1/2,0,1/2;0,0,0) (0,1/2,0;0,0,0) 2c (1/2,1/2,0;0,0,0) (0,1,1/2;0,0,0) 2b (0,1/2,1/2;0,0,0) (1/2,1,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) ---------- UNI: 60.417 Pbcn.1 BNS: 60.417 Pbcn OG: 60.1.488 Pbcn Operators: (1|0,0,0) (2x|1/2,1/2,0) (2y|0,0,1/2) (2z|1/2,1/2,1/2) (-1|0,0,0) (mx|1/2,1/2,0) (my|0,0,1/2) (mz|1/2,1/2,1/2) Wyckoff positions: 8d (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z+1/2;-mx,-my,mz) 4c (0,y,1/4;0,my,0) (1/2,-y+1/2,3/4;0,-my,0) (0,-y,3/4;0,my,0) (1/2,y+1/2,1/4;0,-my,0) 4b (0,1/2,0;mx,my,mz) (1/2,0,0;mx,-my,-mz) (0,1/2,1/2;-mx,my,-mz) (1/2,0,1/2;-mx,-my,mz) 4a (0,0,0;mx,my,mz) (1/2,1/2,0;mx,-my,-mz) (0,0,1/2;-mx,my,-mz) (1/2,1/2,1/2;-mx,-my,mz) ---------- UNI: 60.418 Pbcn.1' BNS: 60.418 Pbcn1' OG: 60.2.489 Pbcn1' Operators: (1|0,0,0) (2x|1/2,1/2,0) (2y|0,0,1/2) (2z|1/2,1/2,1/2) (-1|0,0,0) (mx|1/2,1/2,0) (my|0,0,1/2) (mz|1/2,1/2,1/2) (1|0,0,0)' (2x|1/2,1/2,0)' (2y|0,0,1/2)' (2z|1/2,1/2,1/2)' (-1|0,0,0)' (mx|1/2,1/2,0)' (my|0,0,1/2)' (mz|1/2,1/2,1/2)' Wyckoff positions: 8d (x,y,z;0,0,0) (x+1/2,-y+1/2,-z;0,0,0) (-x,y,-z+1/2;0,0,0) (-x+1/2,-y+1/2,z+1/2;0,0,0) (-x,-y,-z;0,0,0) (-x+1/2,y+1/2,z;0,0,0) (x,-y,z+1/2;0,0,0) (x+1/2,y+1/2,-z+1/2;0,0,0) 4c (0,y,1/4;0,0,0) (1/2,-y+1/2,3/4;0,0,0) (0,-y,3/4;0,0,0) (1/2,y+1/2,1/4;0,0,0) 4b (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) 4a (0,0,0;0,0,0) (1/2,1/2,0;0,0,0) (0,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) ---------- UNI: 60.419 Pb'cn BNS: 60.419 Pb'cn OG: 60.3.490 Pb'cn Operators: (1|0,0,0) (2x|1/2,1/2,0) (2y|0,0,1/2)' (2z|1/2,1/2,1/2)' (-1|0,0,0)' (mx|1/2,1/2,0)' (my|0,0,1/2) (mz|1/2,1/2,1/2) Wyckoff positions: 8d (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x,y,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z+1/2;-mx,-my,mz) 4c (0,y,1/4;mx,0,mz) (1/2,-y+1/2,3/4;mx,0,-mz) (0,-y,3/4;-mx,0,-mz) (1/2,y+1/2,1/4;-mx,0,mz) 4b (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) 4a (0,0,0;0,0,0) (1/2,1/2,0;0,0,0) (0,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) ---------- UNI: 60.420 Pbc'n BNS: 60.420 Pbc'n OG: 60.4.491 Pbc'n Operators: (1|0,0,0) (2x|1/2,1/2,0)' (2y|0,0,1/2) (2z|1/2,1/2,1/2)' (-1|0,0,0)' (mx|1/2,1/2,0) (my|0,0,1/2)' (mz|1/2,1/2,1/2) Wyckoff positions: 8d (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x,-y,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z+1/2;-mx,-my,mz) 4c (0,y,1/4;0,my,0) (1/2,-y+1/2,3/4;0,my,0) (0,-y,3/4;0,-my,0) (1/2,y+1/2,1/4;0,-my,0) 4b (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) 4a (0,0,0;0,0,0) (1/2,1/2,0;0,0,0) (0,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) ---------- UNI: 60.421 Pbcn' BNS: 60.421 Pbcn' OG: 60.5.492 Pbcn' Operators: (1|0,0,0) (2x|1/2,1/2,0)' (2y|0,0,1/2)' (2z|1/2,1/2,1/2) (-1|0,0,0)' (mx|1/2,1/2,0) (my|0,0,1/2) (mz|1/2,1/2,1/2)' Wyckoff positions: 8d (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) 4c (0,y,1/4;mx,0,mz) (1/2,-y+1/2,3/4;-mx,0,mz) (0,-y,3/4;-mx,0,-mz) (1/2,y+1/2,1/4;mx,0,-mz) 4b (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) 4a (0,0,0;0,0,0) (1/2,1/2,0;0,0,0) (0,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) ---------- UNI: 60.422 Pb'c'n BNS: 60.422 Pb'c'n OG: 60.6.493 Pb'c'n Operators: (1|0,0,0) (2x|1/2,1/2,0)' (2y|0,0,1/2)' (2z|1/2,1/2,1/2) (-1|0,0,0) (mx|1/2,1/2,0)' (my|0,0,1/2)' (mz|1/2,1/2,1/2) Wyckoff positions: 8d (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z+1/2;-mx,-my,mz) 4c (0,y,1/4;mx,0,mz) (1/2,-y+1/2,3/4;-mx,0,mz) (0,-y,3/4;mx,0,mz) (1/2,y+1/2,1/4;-mx,0,mz) 4b (0,1/2,0;mx,my,mz) (1/2,0,0;-mx,my,mz) (0,1/2,1/2;mx,-my,mz) (1/2,0,1/2;-mx,-my,mz) 4a (0,0,0;mx,my,mz) (1/2,1/2,0;-mx,my,mz) (0,0,1/2;mx,-my,mz) (1/2,1/2,1/2;-mx,-my,mz) ---------- UNI: 60.423 Pbc'n' BNS: 60.423 Pbc'n' OG: 60.7.494 Pbc'n' Operators: (1|0,0,0) (2x|1/2,1/2,0) (2y|0,0,1/2)' (2z|1/2,1/2,1/2)' (-1|0,0,0) (mx|1/2,1/2,0) (my|0,0,1/2)' (mz|1/2,1/2,1/2)' Wyckoff positions: 8d (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x,y,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x,-y,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) 4c (0,y,1/4;mx,0,mz) (1/2,-y+1/2,3/4;mx,0,-mz) (0,-y,3/4;mx,0,mz) (1/2,y+1/2,1/4;mx,0,-mz) 4b (0,1/2,0;mx,my,mz) (1/2,0,0;mx,-my,-mz) (0,1/2,1/2;mx,-my,mz) (1/2,0,1/2;mx,my,-mz) 4a (0,0,0;mx,my,mz) (1/2,1/2,0;mx,-my,-mz) (0,0,1/2;mx,-my,mz) (1/2,1/2,1/2;mx,my,-mz) ---------- UNI: 60.424 Pb'cn' BNS: 60.424 Pb'cn' OG: 60.8.495 Pb'cn' Operators: (1|0,0,0) (2x|1/2,1/2,0)' (2y|0,0,1/2) (2z|1/2,1/2,1/2)' (-1|0,0,0) (mx|1/2,1/2,0)' (my|0,0,1/2) (mz|1/2,1/2,1/2)' Wyckoff positions: 8d (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) 4c (0,y,1/4;0,my,0) (1/2,-y+1/2,3/4;0,my,0) (0,-y,3/4;0,my,0) (1/2,y+1/2,1/4;0,my,0) 4b (0,1/2,0;mx,my,mz) (1/2,0,0;-mx,my,mz) (0,1/2,1/2;-mx,my,-mz) (1/2,0,1/2;mx,my,-mz) 4a (0,0,0;mx,my,mz) (1/2,1/2,0;-mx,my,mz) (0,0,1/2;-mx,my,-mz) (1/2,1/2,1/2;mx,my,-mz) ---------- UNI: 60.425 Pb'c'n' BNS: 60.425 Pb'c'n' OG: 60.9.496 Pb'c'n' Operators: (1|0,0,0) (2x|1/2,1/2,0) (2y|0,0,1/2) (2z|1/2,1/2,1/2) (-1|0,0,0)' (mx|1/2,1/2,0)' (my|0,0,1/2)' (mz|1/2,1/2,1/2)' Wyckoff positions: 8d (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z+1/2;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) 4c (0,y,1/4;0,my,0) (1/2,-y+1/2,3/4;0,-my,0) (0,-y,3/4;0,-my,0) (1/2,y+1/2,1/4;0,my,0) 4b (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) 4a (0,0,0;0,0,0) (1/2,1/2,0;0,0,0) (0,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) ---------- UNI: 60.426 Pbcn.1'_a[Pbcb] BNS: 60.426 P_abcn OG: 54.11.438 P_2bc'ca OG-BNS transformation: (0,1/2,0;2b,c,a) Operators (BNS): (1|0,0,0) (2x|1/2,1/2,0) (2y|0,0,1/2) (2z|1/2,1/2,1/2) (-1|0,0,0) (mx|1/2,1/2,0) (my|0,0,1/2) (mz|1/2,1/2,1/2) (1|1/2,0,0)' (2x|0,1/2,0)' (2y|1/2,0,1/2)' (2z|0,1/2,1/2)' (-1|1/2,0,0)' (mx|0,1/2,0)' (my|1/2,0,1/2)' (mz|0,1/2,1/2)' Wyckoff positions (BNS): 16f (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z+1/2;-mx,-my,mz) (x+1/2,y,z;-mx,-my,-mz) (x,-y+1/2,-z;-mx,my,mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,-y,-z;-mx,-my,-mz) (-x,y+1/2,z;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) (x,y+1/2,-z+1/2;mx,my,-mz) 8e (0,y,1/4;0,my,0) (1/2,-y+1/2,3/4;0,-my,0) (0,-y,3/4;0,my,0) (1/2,y+1/2,1/4;0,-my,0) (1/2,y,1/4;0,-my,0) (0,-y+1/2,3/4;0,my,0) (1/2,-y,3/4;0,-my,0) (0,y+1/2,1/4;0,my,0) 8d (3/4,y,1/4;mx,0,mz) (1/4,-y+1/2,3/4;mx,0,-mz) (1/4,y,1/4;-mx,0,-mz) (3/4,-y+1/2,3/4;-mx,0,mz) (1/4,-y,3/4;mx,0,mz) (3/4,y+1/2,1/4;mx,0,-mz) (3/4,-y,3/4;-mx,0,-mz) (1/4,y+1/2,1/4;-mx,0,mz) 8c (x,1/4,0;0,my,mz) (x+1/2,1/4,0;0,-my,-mz) (-x,1/4,1/2;0,my,-mz) (-x+1/2,1/4,1/2;0,-my,mz) (-x,3/4,0;0,my,mz) (-x+1/2,3/4,0;0,-my,-mz) (x,3/4,1/2;0,my,-mz) (x+1/2,3/4,1/2;0,-my,mz) 8b (0,0,0;mx,my,mz) (1/2,1/2,0;mx,-my,-mz) (0,0,1/2;-mx,my,-mz) (1/2,1/2,1/2;-mx,-my,mz) (1/2,0,0;-mx,-my,-mz) (0,1/2,0;-mx,my,mz) (1/2,0,1/2;mx,-my,mz) (0,1/2,1/2;mx,my,-mz) 8a (3/4,0,0;0,0,0) (1/4,1/2,0;0,0,0) (1/4,0,1/2;0,0,0) (3/4,1/2,1/2;0,0,0) (1/4,0,0;0,0,0) (3/4,1/2,0;0,0,0) (3/4,0,1/2;0,0,0) (1/4,1/2,1/2;0,0,0) Operators (OG): (1|0,0,0) (2y|0,1,1/2) (2z|1/2,1,0) (2x|1/2,0,1/2) (-1|0,1,0) (my|0,0,1/2) (mz|1/2,0,0) (mx|1/2,1,1/2) (1|0,1,0)' (2y|0,0,1/2)' (2z|1/2,0,0)' (2x|1/2,1,1/2)' (-1|0,0,0)' (my|0,1,1/2)' (mz|1/2,1,0)' (mx|1/2,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (0,2,0)+ (0,0,1)+ (1,0,0)+ 16f (x,y,z;mx,my,mz) (-x,y+1,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1,z;-mx,-my,mz) (x+1/2,-y,-z+1/2;mx,-my,-mz) (-x,-y+1,-z;mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) (-x+1/2,y+1,z+1/2;mx,-my,-mz) (x,y+1,z;-mx,-my,-mz) (-x,y,-z+1/2;mx,-my,mz) (-x+1/2,-y,z;mx,my,-mz) (x+1/2,-y+1,-z+1/2;-mx,my,mz) (-x,-y,-z;-mx,-my,-mz) (x,-y+1,z+1/2;mx,-my,mz) (x+1/2,y+1,-z;mx,my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) 8e (1/4,1/2,z;0,0,mz) (-1/4,3/2,-z+1/2;0,0,-mz) (-1/4,1/2,-z;0,0,mz) (1/4,-1/2,z+1/2;0,0,-mz) (1/4,3/2,z;0,0,-mz) (-1/4,1/2,-z+1/2;0,0,mz) (-1/4,-1/2,-z;0,0,-mz) (1/4,1/2,z+1/2;0,0,mz) 8d (1/4,0,z;mx,my,0) (-1/4,1,-z+1/2;-mx,my,0) (1/4,1,z;-mx,-my,0) (3/4,0,-z+1/2;mx,-my,0) (-1/4,1,-z;mx,my,0) (1/4,0,z+1/2;-mx,my,0) (3/4,0,-z;-mx,-my,0) (1/4,1,z+1/2;mx,-my,0) 8c (0,y,1/4;mx,0,mz) (0,y+1,1/4;-mx,0,-mz) (1/2,-y+1,1/4;-mx,0,mz) (1/2,-y,1/4;mx,0,-mz) (0,-y+1,-1/4;mx,0,mz) (0,-y,3/4;-mx,0,-mz) (1/2,y,-1/4;-mx,0,mz) (1/2,y+1,3/4;mx,0,-mz) 8b (0,1/2,0;mx,my,mz) (0,3/2,1/2;-mx,my,-mz) (1/2,1/2,0;-mx,-my,mz) (1/2,-1/2,1/2;mx,-my,-mz) (0,3/2,0;-mx,-my,-mz) (0,1/2,1/2;mx,-my,mz) (1/2,-1/2,0;mx,my,-mz) (1/2,1/2,1/2;-mx,my,mz) 8a (0,0,0;0,0,0) (0,1,1/2;0,0,0) (1/2,1,0;0,0,0) (1/2,0,1/2;0,0,0) (0,1,0;0,0,0) (0,0,1/2;0,0,0) (1/2,0,0;0,0,0) (1/2,1,1/2;0,0,0) ---------- UNI: 60.427 Pbcn.1'_b[Pmca] BNS: 60.427 P_bbcn OG: 57.13.470 P_2abc'm' OG-BNS transformation: (0,0,0;c,2a,b) Operators (BNS): (1|0,0,0) (2x|1/2,1/2,0) (2y|0,0,1/2) (2z|1/2,1/2,1/2) (-1|0,0,0) (mx|1/2,1/2,0) (my|0,0,1/2) (mz|1/2,1/2,1/2) (1|0,1/2,0)' (2x|1/2,0,0)' (2y|0,1/2,1/2)' (2z|1/2,0,1/2)' (-1|0,1/2,0)' (mx|1/2,0,0)' (my|0,1/2,1/2)' (mz|1/2,0,1/2)' Wyckoff positions (BNS): 16e (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z+1/2;-mx,-my,mz) (x,y+1/2,z;-mx,-my,-mz) (x+1/2,-y,-z;-mx,my,mz) (-x,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x,-y+1/2,-z;-mx,-my,-mz) (-x+1/2,y,z;-mx,my,mz) (x,-y+1/2,z+1/2;mx,-my,mz) (x+1/2,y,-z+1/2;mx,my,-mz) 8d (1/4,y,z;0,my,mz) (3/4,-y+1/2,-z;0,-my,-mz) (3/4,y,-z+1/2;0,my,-mz) (1/4,-y+1/2,z+1/2;0,-my,mz) (3/4,-y,-z;0,my,mz) (1/4,y+1/2,z;0,-my,-mz) (1/4,-y,z+1/2;0,my,-mz) (3/4,y+1/2,-z+1/2;0,-my,mz) 8c (0,y,1/4;0,my,0) (1/2,-y+1/2,3/4;0,-my,0) (0,-y,3/4;0,my,0) (1/2,y+1/2,1/4;0,-my,0) (0,y+1/2,1/4;0,-my,0) (1/2,-y,3/4;0,my,0) (0,-y+1/2,3/4;0,-my,0) (1/2,y,1/4;0,my,0) 8b (0,1/4,0;0,0,0) (1/2,1/4,0;0,0,0) (0,1/4,1/2;0,0,0) (1/2,1/4,1/2;0,0,0) (0,3/4,0;0,0,0) (1/2,3/4,0;0,0,0) (0,3/4,1/2;0,0,0) (1/2,3/4,1/2;0,0,0) 8a (0,0,0;mx,my,mz) (1/2,1/2,0;mx,-my,-mz) (0,0,1/2;-mx,my,-mz) (1/2,1/2,1/2;-mx,-my,mz) (0,1/2,0;-mx,-my,-mz) (1/2,0,0;-mx,my,mz) (0,1/2,1/2;mx,-my,mz) (1/2,0,1/2;mx,my,-mz) Operators (OG): (1|0,0,0) (2z|1,0,1/2) (2x|0,1/2,0) (2y|1,1/2,1/2) (-1|0,0,0) (mz|1,0,1/2) (mx|0,1/2,0) (my|1,1/2,1/2) (1|1,0,0)' (2z|0,0,1/2)' (2x|1,1/2,0)' (2y|0,1/2,1/2)' (-1|1,0,0)' (mz|0,0,1/2)' (mx|1,1/2,0)' (my|0,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (0,0,1)+ (2,0,0)+ (0,1,0)+ 16e (x,y,z;mx,my,mz) (-x+1,-y,z+1/2;-mx,-my,mz) (x,-y+1/2,-z;mx,-my,-mz) (-x+1,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x+1,y,-z+1/2;-mx,-my,mz) (-x,y+1/2,z;mx,-my,-mz) (x+1,-y+1/2,z+1/2;-mx,my,-mz) (x+1,y,z;-mx,-my,-mz) (-x,-y,z+1/2;mx,my,-mz) (x+1,-y+1/2,-z;-mx,my,mz) (-x,y+1/2,-z+1/2;mx,-my,mz) (-x+1,-y,-z;-mx,-my,-mz) (x,y,-z+1/2;mx,my,-mz) (-x+1,y+1/2,z;-mx,my,mz) (x,-y+1/2,z+1/2;mx,-my,mz) 8d (x,y,1/4;mx,my,0) (-x+1,-y,3/4;-mx,-my,0) (x,-y+1/2,-1/4;mx,-my,0) (-x+1,y+1/2,1/4;-mx,my,0) (-x,-y,-1/4;mx,my,0) (x+1,y,1/4;-mx,-my,0) (-x,y+1/2,1/4;mx,-my,0) (x+1,-y+1/2,3/4;-mx,my,0) 8c (x,1/4,0;mx,0,0) (-x+1,-1/4,1/2;-mx,0,0) (-x,-1/4,0;mx,0,0) (x+1,1/4,1/2;-mx,0,0) (x+1,1/4,0;-mx,0,0) (-x,-1/4,1/2;mx,0,0) (-x+1,-1/4,0;-mx,0,0) (x,1/4,1/2;mx,0,0) 8b (1/2,0,0;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) (-1/2,0,0;0,0,0) (3/2,0,1/2;0,0,0) (-1/2,1/2,0;0,0,0) (3/2,1/2,1/2;0,0,0) 8a (0,0,0;mx,my,mz) (1,0,1/2;-mx,-my,mz) (0,1/2,0;mx,-my,-mz) (1,1/2,1/2;-mx,my,-mz) (1,0,0;-mx,-my,-mz) (0,0,1/2;mx,my,-mz) (1,1/2,0;-mx,my,mz) (0,1/2,1/2;mx,-my,mz) ---------- UNI: 60.428 Pbcn.1'_c[Pbmn] BNS: 60.428 P_cbcn OG: 53.11.425 P_2bm'na OG-BNS transformation: (0,1/2,0;c,a,2b) Operators (BNS): (1|0,0,0) (2x|1/2,1/2,0) (2y|0,0,1/2) (2z|1/2,1/2,1/2) (-1|0,0,0) (mx|1/2,1/2,0) (my|0,0,1/2) (mz|1/2,1/2,1/2) (1|0,0,1/2)' (2x|1/2,1/2,1/2)' (2y|0,0,0)' (2z|1/2,1/2,0)' (-1|0,0,1/2)' (mx|1/2,1/2,1/2)' (my|0,0,0)' (mz|1/2,1/2,0)' Wyckoff positions (BNS): 16i (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z+1/2;-mx,-my,mz) (x,y,z+1/2;-mx,-my,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x,-y,-z+1/2;-mx,-my,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x,-y,z;mx,-my,mz) (x+1/2,y+1/2,-z;mx,my,-mz) 8h (x,0,z;mx,0,mz) (x+1/2,1/2,-z;mx,0,-mz) (-x,0,-z+1/2;-mx,0,-mz) (-x+1/2,1/2,z+1/2;-mx,0,mz) (-x,0,-z;mx,0,mz) (-x+1/2,1/2,z;mx,0,-mz) (x,0,z+1/2;-mx,0,-mz) (x+1/2,1/2,-z+1/2;-mx,0,mz) 8g (1/4,1/4,z;mx,my,0) (3/4,1/4,-z;mx,-my,0) (3/4,1/4,-z+1/2;-mx,my,0) (1/4,1/4,z+1/2;-mx,-my,0) (3/4,3/4,-z;mx,my,0) (1/4,3/4,z;mx,-my,0) (1/4,3/4,z+1/2;-mx,my,0) (3/4,3/4,-z+1/2;-mx,-my,0) 8f (0,y,0;mx,0,mz) (1/2,-y+1/2,0;mx,0,-mz) (0,y,1/2;-mx,0,-mz) (1/2,-y+1/2,1/2;-mx,0,mz) (0,-y,0;mx,0,mz) (1/2,y+1/2,0;mx,0,-mz) (0,-y,1/2;-mx,0,-mz) (1/2,y+1/2,1/2;-mx,0,mz) 8e (0,y,3/4;0,my,0) (1/2,-y+1/2,1/4;0,-my,0) (0,-y,1/4;0,my,0) (1/2,y+1/2,3/4;0,-my,0) (0,y,1/4;0,-my,0) (1/2,-y+1/2,3/4;0,my,0) (0,-y,3/4;0,-my,0) (1/2,y+1/2,1/4;0,my,0) 4d (0,0,0;mx,0,mz) (1/2,1/2,0;mx,0,-mz) (0,0,1/2;-mx,0,-mz) (1/2,1/2,1/2;-mx,0,mz) 4c (0,1/2,0;mx,0,mz) (1/2,0,0;mx,0,-mz) (0,1/2,1/2;-mx,0,-mz) (1/2,0,1/2;-mx,0,mz) 4b (0,1/2,3/4;0,0,0) (1/2,0,1/4;0,0,0) (0,1/2,1/4;0,0,0) (1/2,0,3/4;0,0,0) 4a (0,0,3/4;0,0,0) (1/2,1/2,1/4;0,0,0) (0,0,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) Operators (OG): (1|0,0,0) (2z|1/2,1,1/2) (2x|0,0,0) (2y|1/2,1,1/2) (-1|0,1,0) (mz|1/2,0,1/2) (mx|0,1,0) (my|1/2,0,1/2) (1|0,1,0)' (2z|1/2,0,1/2)' (2x|0,1,0)' (2y|1/2,0,1/2)' (-1|0,0,0)' (mz|1/2,1,1/2)' (mx|0,0,0)' (my|1/2,1,1/2)' Wyckoff positions (OG): (0,0,0)+ (0,0,1)+ (1,0,0)+ (0,2,0)+ 16i (x,y,z;mx,my,mz) (-x+1/2,-y+1,z+1/2;-mx,-my,mz) (x,-y,-z;mx,-my,-mz) (-x+1/2,y+1,-z+1/2;-mx,my,-mz) (-x,-y+1,-z;mx,my,mz) (x+1/2,y,-z+1/2;-mx,-my,mz) (-x,y+1,z;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x,y+1,z;-mx,-my,-mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (x,-y+1,-z;-mx,my,mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (x+1/2,y+1,-z+1/2;mx,my,-mz) (-x,y,z;-mx,my,mz) (x+1/2,-y+1,z+1/2;mx,-my,mz) 8h (0,y,z;0,my,mz) (1/2,-y+1,z+1/2;0,-my,mz) (0,-y,-z;0,-my,-mz) (1/2,y+1,-z+1/2;0,my,-mz) (0,-y+1,-z;0,my,mz) (1/2,y,-z+1/2;0,-my,mz) (0,y+1,z;0,-my,-mz) (1/2,-y,z+1/2;0,my,-mz) 8g (1/4,y,1/4;mx,0,mz) (1/4,-y+1,3/4;-mx,0,mz) (1/4,-y,-1/4;mx,0,-mz) (1/4,y+1,1/4;-mx,0,-mz) (-1/4,-y+1,-1/4;mx,0,mz) (3/4,y,1/4;-mx,0,mz) (-1/4,y+1,1/4;mx,0,-mz) (3/4,-y,3/4;-mx,0,-mz) 8f (x,1/2,0;0,my,mz) (-x+1/2,1/2,1/2;0,-my,mz) (x,-1/2,0;0,-my,-mz) (-x+1/2,3/2,1/2;0,my,-mz) (-x,1/2,0;0,my,mz) (x+1/2,1/2,1/2;0,-my,mz) (-x,3/2,0;0,-my,-mz) (x+1/2,-1/2,1/2;0,my,-mz) 8e (x,0,0;mx,0,0) (-x+1/2,1,1/2;-mx,0,0) (-x,1,0;mx,0,0) (x+1/2,0,1/2;-mx,0,0) (x,1,0;-mx,0,0) (-x+1/2,0,1/2;mx,0,0) (-x,0,0;-mx,0,0) (x+1/2,1,1/2;mx,0,0) 4d (0,1/2,0;0,my,mz) (1/2,1/2,1/2;0,-my,mz) (0,-1/2,0;0,-my,-mz) (1/2,3/2,1/2;0,my,-mz) 4c (1/2,1/2,0;0,my,mz) (0,1/2,1/2;0,-my,mz) (1/2,-1/2,0;0,-my,-mz) (0,3/2,1/2;0,my,-mz) 4b (1/2,0,0;0,0,0) (0,1,1/2;0,0,0) (-1/2,1,0;0,0,0) (1,0,1/2;0,0,0) 4a (0,0,0;0,0,0) (1/2,1,1/2;0,0,0) (0,1,0;0,0,0) (1/2,0,1/2;0,0,0) ---------- UNI: 60.429 Pbcn.1'_A[Abma] BNS: 60.429 P_Abcn OG: 64.17.544 C_Pm'c'a' OG-BNS transformation: (1/4,1/4,0;c,a,b) Operators (BNS): (1|0,0,0) (2x|1/2,1/2,0) (2y|0,0,1/2) (2z|1/2,1/2,1/2) (-1|0,0,0) (mx|1/2,1/2,0) (my|0,0,1/2) (mz|1/2,1/2,1/2) (1|0,1/2,1/2)' (2x|1/2,0,1/2)' (2y|0,1/2,0)' (2z|1/2,0,0)' (-1|0,1/2,1/2)' (mx|1/2,0,1/2)' (my|0,1/2,0)' (mz|1/2,0,0)' Wyckoff positions (BNS): 16g (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z+1/2;-mx,-my,mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (x+1/2,-y,-z+1/2;-mx,my,mz) (-x,y+1/2,-z;mx,-my,mz) (-x+1/2,-y,z;mx,my,-mz) (-x,-y+1/2,-z+1/2;-mx,-my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x,-y+1/2,z;mx,-my,mz) (x+1/2,y,-z;mx,my,-mz) 8f (x,3/4,z;mx,0,mz) (x+1/2,3/4,-z;mx,0,-mz) (-x,3/4,-z+1/2;-mx,0,-mz) (-x+1/2,3/4,z+1/2;-mx,0,mz) (-x,1/4,-z;mx,0,mz) (-x+1/2,1/4,z;mx,0,-mz) (x,1/4,z+1/2;-mx,0,-mz) (x+1/2,1/4,-z+1/2;-mx,0,mz) 8e (1/4,0,z;mx,my,0) (3/4,1/2,-z;mx,-my,0) (3/4,0,-z+1/2;-mx,my,0) (1/4,1/2,z+1/2;-mx,-my,0) (3/4,0,-z;mx,my,0) (1/4,1/2,z;mx,-my,0) (1/4,0,z+1/2;-mx,my,0) (3/4,1/2,-z+1/2;-mx,-my,0) 8d (0,y,3/4;0,my,0) (1/2,-y+1/2,1/4;0,-my,0) (0,-y,1/4;0,my,0) (1/2,y+1/2,3/4;0,-my,0) (0,y+1/2,1/4;0,-my,0) (1/2,-y,3/4;0,my,0) (0,-y+1/2,3/4;0,-my,0) (1/2,y,1/4;0,my,0) 8c (0,0,0;mx,my,mz) (1/2,1/2,0;mx,-my,-mz) (0,0,1/2;-mx,my,-mz) (1/2,1/2,1/2;-mx,-my,mz) (0,1/2,1/2;-mx,-my,-mz) (1/2,0,1/2;-mx,my,mz) (0,1/2,0;mx,-my,mz) (1/2,0,0;mx,my,-mz) 4b (0,1/4,3/4;0,0,0) (1/2,1/4,1/4;0,0,0) (0,3/4,1/4;0,0,0) (1/2,3/4,3/4;0,0,0) 4a (0,3/4,3/4;0,0,0) (1/2,3/4,1/4;0,0,0) (0,1/4,1/4;0,0,0) (1/2,1/4,3/4;0,0,0) Operators (OG): (1|0,0,0) (2z|1,1/2,1/2) (2x|0,0,0) (2y|1,1/2,1/2) (-1|1/2,1/2,0) (mz|1/2,0,1/2) (mx|1/2,1/2,0) (my|1/2,0,1/2) (1|1/2,1/2,0)' (2z|1/2,0,1/2)' (2x|1/2,1/2,0)' (2y|1/2,0,1/2)' (-1|0,0,0)' (mz|1,1/2,1/2)' (mx|0,0,0)' (my|1,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (0,0,1)+ (1,0,0)+ (0,1,0)+ 16g (x,y,z;mx,my,mz) (-x+1,-y+1/2,z+1/2;-mx,-my,mz) (x,-y,-z;mx,-my,-mz) (-x+1,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,-z;mx,my,mz) (x+1/2,y,-z+1/2;-mx,-my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (x+1,y+1/2,-z+1/2;mx,my,-mz) (-x,y,z;-mx,my,mz) (x+1,-y+1/2,z+1/2;mx,-my,mz) 8f (0,y,z;0,my,mz) (1,-y+1/2,z+1/2;0,-my,mz) (0,-y,-z;0,-my,-mz) (1,y+1/2,-z+1/2;0,my,-mz) (1/2,-y+1/2,-z;0,my,mz) (1/2,y,-z+1/2;0,-my,mz) (1/2,y+1/2,z;0,-my,-mz) (1/2,-y,z+1/2;0,my,-mz) 8e (1/4,y,1/4;mx,0,mz) (3/4,-y+1/2,3/4;-mx,0,mz) (1/4,-y,-1/4;mx,0,-mz) (3/4,y+1/2,1/4;-mx,0,-mz) (1/4,-y+1/2,-1/4;mx,0,mz) (3/4,y,1/4;-mx,0,mz) (1/4,y+1/2,1/4;mx,0,-mz) (3/4,-y,3/4;-mx,0,-mz) 8d (x,0,0;mx,0,0) (-x+1,1/2,1/2;-mx,0,0) (-x+1/2,1/2,0;mx,0,0) (x+1/2,0,1/2;-mx,0,0) (x+1/2,1/2,0;-mx,0,0) (-x+1/2,0,1/2;mx,0,0) (-x,0,0;-mx,0,0) (x+1,1/2,1/2;mx,0,0) 8c (1/4,1/4,0;mx,my,mz) (3/4,1/4,1/2;-mx,-my,mz) (1/4,-1/4,0;mx,-my,-mz) (3/4,3/4,1/2;-mx,my,-mz) (3/4,3/4,0;-mx,-my,-mz) (1/4,-1/4,1/2;mx,my,-mz) (3/4,1/4,0;-mx,my,mz) (1/4,1/4,1/2;mx,-my,mz) 4b (1/2,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) (0,1/2,0;0,0,0) (1,0,1/2;0,0,0) 4a (0,0,0;0,0,0) (1,1/2,1/2;0,0,0) (1/2,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) ---------- UNI: 60.430 Pbcn.1'_B[Bbcb] BNS: 60.430 P_Bbcn OG: 68.10.603 C_Pcca' OG-BNS transformation: (1/4,1/4,1/2;b,c,a) Operators (BNS): (1|0,0,0) (2x|1/2,1/2,0) (2y|0,0,1/2) (2z|1/2,1/2,1/2) (-1|0,0,0) (mx|1/2,1/2,0) (my|0,0,1/2) (mz|1/2,1/2,1/2) (1|1/2,0,1/2)' (2x|0,1/2,1/2)' (2y|1/2,0,0)' (2z|0,1/2,0)' (-1|1/2,0,1/2)' (mx|0,1/2,1/2)' (my|1/2,0,0)' (mz|0,1/2,0)' Wyckoff positions (BNS): 16i (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z+1/2;-mx,-my,mz) (x+1/2,y,z+1/2;-mx,-my,-mz) (x,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y,-z;mx,-my,mz) (-x,-y+1/2,z;mx,my,-mz) (-x+1/2,-y,-z+1/2;-mx,-my,-mz) (-x,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) (x,y+1/2,-z;mx,my,-mz) 8h (3/4,y,0;mx,0,mz) (1/4,-y+1/2,0;mx,0,-mz) (1/4,y,1/2;-mx,0,-mz) (3/4,-y+1/2,1/2;-mx,0,mz) (1/4,-y,0;mx,0,mz) (3/4,y+1/2,0;mx,0,-mz) (3/4,-y,1/2;-mx,0,-mz) (1/4,y+1/2,1/2;-mx,0,mz) 8g (0,y,3/4;0,my,0) (1/2,-y+1/2,1/4;0,-my,0) (0,-y,1/4;0,my,0) (1/2,y+1/2,3/4;0,-my,0) (1/2,y,1/4;0,-my,0) (0,-y+1/2,3/4;0,my,0) (1/2,-y,3/4;0,-my,0) (0,y+1/2,1/4;0,my,0) 8f (x,3/4,3/4;0,my,mz) (x+1/2,3/4,1/4;0,-my,-mz) (-x,3/4,3/4;0,my,-mz) (-x+1/2,3/4,1/4;0,-my,mz) (-x,1/4,1/4;0,my,mz) (-x+1/2,1/4,3/4;0,-my,-mz) (x,1/4,1/4;0,my,-mz) (x+1/2,1/4,3/4;0,-my,mz) 8e (0,3/4,z;mx,my,0) (1/2,3/4,-z;mx,-my,0) (0,3/4,-z+1/2;-mx,my,0) (1/2,3/4,z+1/2;-mx,-my,0) (0,1/4,-z;mx,my,0) (1/2,1/4,z;mx,-my,0) (0,1/4,z+1/2;-mx,my,0) (1/2,1/4,-z+1/2;-mx,-my,0) 8d (3/4,1/2,3/4;0,0,0) (1/4,0,1/4;0,0,0) (1/4,1/2,3/4;0,0,0) (3/4,0,1/4;0,0,0) (1/4,1/2,1/4;0,0,0) (3/4,0,3/4;0,0,0) (3/4,1/2,1/4;0,0,0) (1/4,0,3/4;0,0,0) 8c (1/2,1/2,0;mx,my,mz) (0,0,0;mx,-my,-mz) (1/2,1/2,1/2;-mx,my,-mz) (0,0,1/2;-mx,-my,mz) (0,1/2,1/2;-mx,-my,-mz) (1/2,0,1/2;-mx,my,mz) (0,1/2,0;mx,-my,mz) (1/2,0,0;mx,my,-mz) 4b (0,1/4,3/4;0,my,0) (1/2,1/4,1/4;0,-my,0) (0,3/4,1/4;0,my,0) (1/2,3/4,3/4;0,-my,0) 4a (0,3/4,3/4;0,my,0) (1/2,3/4,1/4;0,-my,0) (0,1/4,1/4;0,my,0) (1/2,1/4,3/4;0,-my,0) Operators (OG): (1|0,0,0) (2y|1/2,1/2,1/2) (2z|0,1/2,0) (2x|1/2,1,1/2) (-1|1/2,1/2,0) (my|1,1,1/2) (mz|1/2,0,0) (mx|1,1/2,1/2) (1|1/2,1/2,0)' (2y|0,0,1/2)' (2z|1/2,1,0)' (2x|0,1/2,1/2)' (-1|1,1,0)' (my|1/2,1/2,1/2)' (mz|1,1/2,0)' (mx|1/2,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (0,1,0)+ (0,0,1)+ (1,0,0)+ 16i (x,y,z;mx,my,mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y+1/2,z;-mx,-my,mz) (x+1/2,-y+1,-z+1/2;mx,-my,-mz) (-x+1/2,-y+1/2,-z;mx,my,mz) (x+1,-y+1,z+1/2;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) (-x+1,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x,y,-z+1/2;mx,-my,mz) (-x+1/2,-y+1,z;mx,my,-mz) (x,-y+1/2,-z+1/2;-mx,my,mz) (-x+1,-y+1,-z;-mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (x+1,y+1/2,-z;mx,my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) 8h (1/4,0,z;mx,my,0) (1/4,1/2,-z+1/2;-mx,my,0) (-1/4,1/2,z;-mx,-my,0) (3/4,1,-z+1/2;mx,-my,0) (1/4,1/2,-z;mx,my,0) (5/4,1,z+1/2;-mx,my,0) (3/4,0,-z;-mx,-my,0) (3/4,1/2,z+1/2;mx,-my,0) 8g (0,1/4,z;0,0,mz) (1/2,3/4,-z+1/2;0,0,-mz) (1/2,1/4,-z;0,0,mz) (1,3/4,z+1/2;0,0,-mz) (1/2,3/4,z;0,0,-mz) (0,1/4,-z+1/2;0,0,mz) (1,3/4,-z;0,0,-mz) (1/2,1/4,z+1/2;0,0,mz) 8f (0,y,1/4;mx,0,mz) (1/2,y+1/2,1/4;-mx,0,-mz) (0,-y+1/2,1/4;-mx,0,mz) (1/2,-y+1,1/4;mx,0,-mz) (1/2,-y+1/2,-1/4;mx,0,mz) (1,-y+1,3/4;-mx,0,-mz) (1/2,y,-1/4;-mx,0,mz) (1,y+1/2,3/4;mx,0,-mz) 8e (x,1/4,1/4;0,my,mz) (-x+1/2,3/4,1/4;0,my,-mz) (-x,1/4,1/4;0,-my,mz) (x+1/2,3/4,1/4;0,-my,-mz) (-x+1/2,1/4,-1/4;0,my,mz) (x+1,3/4,3/4;0,my,-mz) (x+1/2,1/4,-1/4;0,-my,mz) (-x+1,3/4,3/4;0,-my,-mz) 8d (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) (0,1/2,0;0,0,0) (1/2,1,1/2;0,0,0) (1/2,1/2,0;0,0,0) (1,1,1/2;0,0,0) (1/2,0,0;0,0,0) (1,1/2,1/2;0,0,0) 8c (1/4,3/4,0;mx,my,mz) (1/4,5/4,1/2;-mx,my,-mz) (-1/4,-1/4,0;-mx,-my,mz) (3/4,1/4,1/2;mx,-my,-mz) (3/4,5/4,0;-mx,-my,-mz) (-1/4,3/4,1/2;mx,-my,mz) (1/4,1/4,0;mx,my,-mz) (1/4,-1/4,1/2;-mx,my,mz) 4b (0,1/4,3/4;0,0,mz) (1/2,3/4,-1/4;0,0,-mz) (1/2,1/4,-3/4;0,0,mz) (1,3/4,5/4;0,0,-mz) 4a (0,1/4,1/4;0,0,mz) (1/2,3/4,1/4;0,0,-mz) (1/2,1/4,-1/4;0,0,mz) (1,3/4,3/4;0,0,-mz) ---------- UNI: 60.431 Pbcn.1'_C[Cmcm] BNS: 60.431 P_Cbcn OG: 63.16.526 C_Pm'cm' OG-BNS transformation: (0,0,0;a,b,c) Operators (BNS): (1|0,0,0) (2x|1/2,1/2,0) (2y|0,0,1/2) (2z|1/2,1/2,1/2) (-1|0,0,0) (mx|1/2,1/2,0) (my|0,0,1/2) (mz|1/2,1/2,1/2) (1|1/2,1/2,0)' (2x|0,0,0)' (2y|1/2,1/2,1/2)' (2z|0,0,1/2)' (-1|1/2,1/2,0)' (mx|0,0,0)' (my|1/2,1/2,1/2)' (mz|0,0,1/2)' Wyckoff positions (BNS): 16h (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z+1/2;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x,-y,-z;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x,-y,z+1/2;mx,my,-mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (x,y,-z+1/2;mx,my,-mz) 8g (x,y,1/4;mx,my,0) (x+1/2,-y+1/2,3/4;mx,-my,0) (-x,y,1/4;-mx,my,0) (-x+1/2,-y+1/2,3/4;-mx,-my,0) (-x,-y,3/4;mx,my,0) (-x+1/2,y+1/2,1/4;mx,-my,0) (x,-y,3/4;-mx,my,0) (x+1/2,y+1/2,1/4;-mx,-my,0) 8f (0,y,z;0,my,mz) (1/2,-y+1/2,-z;0,-my,-mz) (0,y,-z+1/2;0,my,-mz) (1/2,-y+1/2,z+1/2;0,-my,mz) (0,-y,-z;0,my,mz) (1/2,y+1/2,z;0,-my,-mz) (0,-y,z+1/2;0,my,-mz) (1/2,y+1/2,-z+1/2;0,-my,mz) 8e (x,0,0;0,my,mz) (x+1/2,1/2,0;0,-my,-mz) (-x,0,1/2;0,my,-mz) (-x+1/2,1/2,1/2;0,-my,mz) (-x,0,0;0,my,mz) (-x+1/2,1/2,0;0,-my,-mz) (x,0,1/2;0,my,-mz) (x+1/2,1/2,1/2;0,-my,mz) 8d (1/4,1/4,0;0,0,0) (3/4,1/4,0;0,0,0) (3/4,1/4,1/2;0,0,0) (1/4,1/4,1/2;0,0,0) (3/4,3/4,0;0,0,0) (1/4,3/4,0;0,0,0) (1/4,3/4,1/2;0,0,0) (3/4,3/4,1/2;0,0,0) 4c (0,y,1/4;0,my,0) (1/2,-y+1/2,3/4;0,-my,0) (0,-y,3/4;0,my,0) (1/2,y+1/2,1/4;0,-my,0) 4b (0,1/2,0;0,my,mz) (1/2,0,0;0,-my,-mz) (0,1/2,1/2;0,my,-mz) (1/2,0,1/2;0,-my,mz) 4a (0,0,0;0,my,mz) (1/2,1/2,0;0,-my,-mz) (0,0,1/2;0,my,-mz) (1/2,1/2,1/2;0,-my,mz) Operators (OG): (1|0,0,0) (2x|1/2,1/2,0) (2y|0,0,1/2) (2z|1/2,1/2,1/2) (-1|0,0,0) (mx|1/2,1/2,0) (my|0,0,1/2) (mz|1/2,1/2,1/2) (1|1/2,1/2,0)' (2x|0,0,0)' (2y|1/2,1/2,1/2)' (2z|0,0,1/2)' (-1|1/2,1/2,0)' (mx|0,0,0)' (my|1/2,1/2,1/2)' (mz|0,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16h (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z+1/2;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x,-y,-z;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x,-y,z+1/2;mx,my,-mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (x,y,-z+1/2;mx,my,-mz) 8g (x,y,1/4;mx,my,0) (x+1/2,-y+1/2,-1/4;mx,-my,0) (-x,y,1/4;-mx,my,0) (-x+1/2,-y+1/2,3/4;-mx,-my,0) (-x,-y,-1/4;mx,my,0) (-x+1/2,y+1/2,1/4;mx,-my,0) (x,-y,3/4;-mx,my,0) (x+1/2,y+1/2,1/4;-mx,-my,0) 8f (0,y,z;0,my,mz) (1/2,-y+1/2,-z;0,-my,-mz) (0,y,-z+1/2;0,my,-mz) (1/2,-y+1/2,z+1/2;0,-my,mz) (0,-y,-z;0,my,mz) (1/2,y+1/2,z;0,-my,-mz) (0,-y,z+1/2;0,my,-mz) (1/2,y+1/2,-z+1/2;0,-my,mz) 8e (x,0,0;0,my,mz) (x+1/2,1/2,0;0,-my,-mz) (-x,0,1/2;0,my,-mz) (-x+1/2,1/2,1/2;0,-my,mz) (-x,0,0;0,my,mz) (-x+1/2,1/2,0;0,-my,-mz) (x,0,1/2;0,my,-mz) (x+1/2,1/2,1/2;0,-my,mz) 8d (1/4,1/4,0;0,0,0) (3/4,1/4,0;0,0,0) (-1/4,1/4,1/2;0,0,0) (1/4,1/4,1/2;0,0,0) (-1/4,-1/4,0;0,0,0) (1/4,3/4,0;0,0,0) (1/4,-1/4,1/2;0,0,0) (3/4,3/4,1/2;0,0,0) 4c (0,y,1/4;0,my,0) (1/2,-y+1/2,-1/4;0,-my,0) (0,-y,-1/4;0,my,0) (1/2,y+1/2,1/4;0,-my,0) 4b (0,1/2,0;0,my,mz) (1/2,0,0;0,-my,-mz) (0,1/2,1/2;0,my,-mz) (1/2,0,1/2;0,-my,mz) 4a (0,0,0;0,my,mz) (1/2,1/2,0;0,-my,-mz) (0,0,1/2;0,my,-mz) (1/2,1/2,1/2;0,-my,mz) ---------- UNI: 60.432 Pbcn.1'_I[Ibam] BNS: 60.432 P_Ibcn OG: 72.12.641 I_Pb'am' OG-BNS transformation: (0,0,0;a,b,c) Operators (BNS): (1|0,0,0) (2x|1/2,1/2,0) (2y|0,0,1/2) (2z|1/2,1/2,1/2) (-1|0,0,0) (mx|1/2,1/2,0) (my|0,0,1/2) (mz|1/2,1/2,1/2) (1|1/2,1/2,1/2)' (2x|0,0,1/2)' (2y|1/2,1/2,0)' (2z|0,0,0)' (-1|1/2,1/2,1/2)' (mx|0,0,1/2)' (my|1/2,1/2,0)' (mz|0,0,0)' Wyckoff positions (BNS): 16k (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z+1/2;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z;mx,-my,mz) (-x,-y,z;mx,my,-mz) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (-x,y,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z;mx,-my,mz) (x,y,-z;mx,my,-mz) 8j (x,y,0;mx,my,0) (x+1/2,-y+1/2,0;mx,-my,0) (-x,y,1/2;-mx,my,0) (-x+1/2,-y+1/2,1/2;-mx,-my,0) (-x,-y,0;mx,my,0) (-x+1/2,y+1/2,0;mx,-my,0) (x,-y,1/2;-mx,my,0) (x+1/2,y+1/2,1/2;-mx,-my,0) 8i (0,1/2,z;mx,my,0) (1/2,0,-z;mx,-my,0) (0,1/2,-z+1/2;-mx,my,0) (1/2,0,z+1/2;-mx,-my,0) (0,1/2,-z;mx,my,0) (1/2,0,z;mx,-my,0) (0,1/2,z+1/2;-mx,my,0) (1/2,0,-z+1/2;-mx,-my,0) 8h (0,0,z;mx,my,0) (1/2,1/2,-z;mx,-my,0) (0,0,-z+1/2;-mx,my,0) (1/2,1/2,z+1/2;-mx,-my,0) (0,0,-z;mx,my,0) (1/2,1/2,z;mx,-my,0) (0,0,z+1/2;-mx,my,0) (1/2,1/2,-z+1/2;-mx,-my,0) 8g (0,y,1/4;0,my,0) (1/2,-y+1/2,3/4;0,-my,0) (0,-y,3/4;0,my,0) (1/2,y+1/2,1/4;0,-my,0) (1/2,y+1/2,3/4;0,-my,0) (0,-y,1/4;0,my,0) (1/2,-y+1/2,1/4;0,-my,0) (0,y,3/4;0,my,0) 8f (x,0,1/4;0,my,mz) (x+1/2,1/2,3/4;0,-my,-mz) (-x,0,1/4;0,my,-mz) (-x+1/2,1/2,3/4;0,-my,mz) (-x,0,3/4;0,my,mz) (-x+1/2,1/2,1/4;0,-my,-mz) (x,0,3/4;0,my,-mz) (x+1/2,1/2,1/4;0,-my,mz) 8e (1/4,1/4,1/4;0,0,0) (3/4,1/4,3/4;0,0,0) (3/4,1/4,1/4;0,0,0) (1/4,1/4,3/4;0,0,0) (3/4,3/4,3/4;0,0,0) (1/4,3/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) 4d (1/2,0,0;mx,my,0) (0,1/2,0;mx,-my,0) (1/2,0,1/2;-mx,my,0) (0,1/2,1/2;-mx,-my,0) 4c (0,0,0;mx,my,0) (1/2,1/2,0;mx,-my,0) (0,0,1/2;-mx,my,0) (1/2,1/2,1/2;-mx,-my,0) 4b (1/2,0,1/4;0,my,0) (0,1/2,3/4;0,-my,0) (1/2,0,3/4;0,my,0) (0,1/2,1/4;0,-my,0) 4a (0,0,1/4;0,my,0) (1/2,1/2,3/4;0,-my,0) (0,0,3/4;0,my,0) (1/2,1/2,1/4;0,-my,0) Operators (OG): (1|0,0,0) (2x|1/2,1/2,1) (2y|0,0,1/2) (2z|1/2,1/2,1/2) (-1|0,0,0) (mx|1/2,1/2,1) (my|0,0,1/2) (mz|1/2,1/2,1/2) (1|1/2,1/2,1/2)' (2x|0,0,1/2)' (2y|1/2,1/2,1)' (2z|0,0,0)' (-1|1/2,1/2,1/2)' (mx|0,0,1/2)' (my|1/2,1/2,1)' (mz|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16k (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z+1;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z+1;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z+1/2;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1;mx,-my,mz) (-x,-y,z;mx,my,-mz) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (-x,y,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1;mx,-my,mz) (x,y,-z;mx,my,-mz) 8j (x,y,0;mx,my,0) (x+1/2,-y+1/2,1;mx,-my,0) (-x,y,1/2;-mx,my,0) (-x+1/2,-y+1/2,1/2;-mx,-my,0) (-x,-y,0;mx,my,0) (-x+1/2,y+1/2,1;mx,-my,0) (x,-y,1/2;-mx,my,0) (x+1/2,y+1/2,1/2;-mx,-my,0) 8i (0,1/2,z;mx,my,0) (1/2,0,-z+1;mx,-my,0) (0,1/2,-z+1/2;-mx,my,0) (1/2,0,z+1/2;-mx,-my,0) (0,-1/2,-z;mx,my,0) (1/2,1,z+1;mx,-my,0) (0,-1/2,z+1/2;-mx,my,0) (1/2,1,-z+1/2;-mx,-my,0) 8h (0,0,z;mx,my,0) (1/2,1/2,-z+1;mx,-my,0) (0,0,-z+1/2;-mx,my,0) (1/2,1/2,z+1/2;-mx,-my,0) (0,0,-z;mx,my,0) (1/2,1/2,z+1;mx,-my,0) (0,0,z+1/2;-mx,my,0) (1/2,1/2,-z+1/2;-mx,-my,0) 8g (0,y,1/4;0,my,0) (1/2,-y+1/2,3/4;0,-my,0) (0,-y,-1/4;0,my,0) (1/2,y+1/2,5/4;0,-my,0) (1/2,y+1/2,3/4;0,-my,0) (0,-y,1/4;0,my,0) (1/2,-y+1/2,1/4;0,-my,0) (0,y,3/4;0,my,0) 8f (x,0,1/4;0,my,mz) (x+1/2,1/2,3/4;0,-my,-mz) (-x,0,1/4;0,my,-mz) (-x+1/2,1/2,3/4;0,-my,mz) (-x,0,-1/4;0,my,mz) (-x+1/2,1/2,5/4;0,-my,-mz) (x,0,3/4;0,my,-mz) (x+1/2,1/2,1/4;0,-my,mz) 8e (1/4,1/4,1/4;0,0,0) (3/4,1/4,3/4;0,0,0) (-1/4,1/4,1/4;0,0,0) (1/4,1/4,3/4;0,0,0) (-1/4,-1/4,-1/4;0,0,0) (1/4,3/4,5/4;0,0,0) (1/4,-1/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) 4d (1/2,0,0;mx,my,0) (1,1/2,1;mx,-my,0) (-1/2,0,1/2;-mx,my,0) (0,1/2,1/2;-mx,-my,0) 4c (0,0,0;mx,my,0) (1/2,1/2,1;mx,-my,0) (0,0,1/2;-mx,my,0) (1/2,1/2,1/2;-mx,-my,0) 4b (1/2,0,1/4;0,my,0) (1,1/2,3/4;0,-my,0) (-1/2,0,-1/4;0,my,0) (0,1/2,5/4;0,-my,0) 4a (0,0,1/4;0,my,0) (1/2,1/2,3/4;0,-my,0) (0,0,-1/4;0,my,0) (1/2,1/2,5/4;0,-my,0) ---------- UNI: 61.433 Pbca.1 BNS: 61.433 Pbca OG: 61.1.497 Pbca Operators: (1|0,0,0) (2x|1/2,1/2,0) (2y|0,1/2,1/2) (2z|1/2,0,1/2) (-1|0,0,0) (mx|1/2,1/2,0) (my|0,1/2,1/2) (mz|1/2,0,1/2) Wyckoff positions: 8c (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y,-z+1/2;-mx,-my,mz) 4b (0,0,1/2;mx,my,mz) (1/2,1/2,1/2;mx,-my,-mz) (0,1/2,0;-mx,my,-mz) (1/2,0,0;-mx,-my,mz) 4a (0,0,0;mx,my,mz) (1/2,1/2,0;mx,-my,-mz) (0,1/2,1/2;-mx,my,-mz) (1/2,0,1/2;-mx,-my,mz) ---------- UNI: 61.434 Pbca.1' BNS: 61.434 Pbca1' OG: 61.2.498 Pbca1' Operators: (1|0,0,0) (2x|1/2,1/2,0) (2y|0,1/2,1/2) (2z|1/2,0,1/2) (-1|0,0,0) (mx|1/2,1/2,0) (my|0,1/2,1/2) (mz|1/2,0,1/2) (1|0,0,0)' (2x|1/2,1/2,0)' (2y|0,1/2,1/2)' (2z|1/2,0,1/2)' (-1|0,0,0)' (mx|1/2,1/2,0)' (my|0,1/2,1/2)' (mz|1/2,0,1/2)' Wyckoff positions: 8c (x,y,z;0,0,0) (x+1/2,-y+1/2,-z;0,0,0) (-x,y+1/2,-z+1/2;0,0,0) (-x+1/2,-y,z+1/2;0,0,0) (-x,-y,-z;0,0,0) (-x+1/2,y+1/2,z;0,0,0) (x,-y+1/2,z+1/2;0,0,0) (x+1/2,y,-z+1/2;0,0,0) 4b (0,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) 4a (0,0,0;0,0,0) (1/2,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) ---------- UNI: 61.435 Pb'ca BNS: 61.435 Pb'ca OG: 61.3.499 Pb'ca Operators: (1|0,0,0) (2x|1/2,1/2,0) (2y|0,1/2,1/2)' (2z|1/2,0,1/2)' (-1|0,0,0)' (mx|1/2,1/2,0)' (my|0,1/2,1/2) (mz|1/2,0,1/2) Wyckoff positions: 8c (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y,-z+1/2;-mx,-my,mz) 4b (0,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) 4a (0,0,0;0,0,0) (1/2,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) ---------- UNI: 61.436 Pb'c'a BNS: 61.436 Pb'c'a OG: 61.4.500 Pb'c'a Operators: (1|0,0,0) (2x|1/2,1/2,0)' (2y|0,1/2,1/2)' (2z|1/2,0,1/2) (-1|0,0,0) (mx|1/2,1/2,0)' (my|0,1/2,1/2)' (mz|1/2,0,1/2) Wyckoff positions: 8c (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x,-y+1/2,z+1/2;mx,-my,mz) (x+1/2,y,-z+1/2;-mx,-my,mz) 4b (0,0,1/2;mx,my,mz) (1/2,1/2,1/2;-mx,my,mz) (0,1/2,0;mx,-my,mz) (1/2,0,0;-mx,-my,mz) 4a (0,0,0;mx,my,mz) (1/2,1/2,0;-mx,my,mz) (0,1/2,1/2;mx,-my,mz) (1/2,0,1/2;-mx,-my,mz) ---------- UNI: 61.437 Pb'c'a' BNS: 61.437 Pb'c'a' OG: 61.5.501 Pb'c'a' Operators: (1|0,0,0) (2x|1/2,1/2,0) (2y|0,1/2,1/2) (2z|1/2,0,1/2) (-1|0,0,0)' (mx|1/2,1/2,0)' (my|0,1/2,1/2)' (mz|1/2,0,1/2)' Wyckoff positions: 8c (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x,-y+1/2,z+1/2;mx,-my,mz) (x+1/2,y,-z+1/2;mx,my,-mz) 4b (0,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) 4a (0,0,0;0,0,0) (1/2,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) ---------- UNI: 61.438 Pbca.1'_a[Pbcm] BNS: 61.438 P_abca OG: 57.12.469 P_2abcm' OG-BNS transformation: (1/2,0,0;2a,b,c) Operators (BNS): (1|0,0,0) (2x|1/2,1/2,0) (2y|0,1/2,1/2) (2z|1/2,0,1/2) (-1|0,0,0) (mx|1/2,1/2,0) (my|0,1/2,1/2) (mz|1/2,0,1/2) (1|1/2,0,0)' (2x|0,1/2,0)' (2y|1/2,1/2,1/2)' (2z|0,0,1/2)' (-1|1/2,0,0)' (mx|0,1/2,0)' (my|1/2,1/2,1/2)' (mz|0,0,1/2)' Wyckoff positions (BNS): 16e (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y,-z+1/2;-mx,-my,mz) (x+1/2,y,z;-mx,-my,-mz) (x,-y+1/2,-z;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x,-y,z+1/2;mx,my,-mz) (-x+1/2,-y,-z;-mx,-my,-mz) (-x,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (x,y,-z+1/2;mx,my,-mz) 8d (x,y,1/4;mx,my,0) (x+1/2,-y+1/2,3/4;mx,-my,0) (-x,y+1/2,1/4;-mx,my,0) (-x+1/2,-y,3/4;-mx,-my,0) (-x,-y,3/4;mx,my,0) (-x+1/2,y+1/2,1/4;mx,-my,0) (x,-y+1/2,3/4;-mx,my,0) (x+1/2,y,1/4;-mx,-my,0) 8c (x,1/4,0;0,my,mz) (x+1/2,1/4,0;0,-my,-mz) (-x,3/4,1/2;0,my,-mz) (-x+1/2,3/4,1/2;0,-my,mz) (-x,3/4,0;0,my,mz) (-x+1/2,3/4,0;0,-my,-mz) (x,1/4,1/2;0,my,-mz) (x+1/2,1/4,1/2;0,-my,mz) 8b (0,0,0;mx,my,mz) (1/2,1/2,0;mx,-my,-mz) (0,1/2,1/2;-mx,my,-mz) (1/2,0,1/2;-mx,-my,mz) (1/2,0,0;-mx,-my,-mz) (0,1/2,0;-mx,my,mz) (1/2,1/2,1/2;mx,-my,mz) (0,0,1/2;mx,my,-mz) 8a (3/4,0,0;0,0,0) (1/4,1/2,0;0,0,0) (1/4,1/2,1/2;0,0,0) (3/4,0,1/2;0,0,0) (1/4,0,0;0,0,0) (3/4,1/2,0;0,0,0) (3/4,1/2,1/2;0,0,0) (1/4,0,1/2;0,0,0) Operators (OG): (1|0,0,0) (2x|1,1/2,0) (2y|1,1/2,1/2) (2z|0,0,1/2) (-1|1,0,0) (mx|0,1/2,0) (my|0,1/2,1/2) (mz|1,0,1/2) (1|1,0,0)' (2x|0,1/2,0)' (2y|0,1/2,1/2)' (2z|1,0,1/2)' (-1|0,0,0)' (mx|1,1/2,0)' (my|1,1/2,1/2)' (mz|0,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,1,0)+ (0,0,1)+ 16e (x,y,z;mx,my,mz) (x+1,-y+1/2,-z;mx,-my,-mz) (-x+1,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,z+1/2;-mx,-my,mz) (-x+1,-y,-z;mx,my,mz) (-x,y+1/2,z;mx,-my,-mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x+1,y,-z+1/2;-mx,-my,mz) (x+1,y,z;-mx,-my,-mz) (x,-y+1/2,-z;-mx,my,mz) (-x,y+1/2,-z+1/2;mx,-my,mz) (-x+1,-y,z+1/2;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x+1,y+1/2,z;-mx,my,mz) (x+1,-y+1/2,z+1/2;mx,-my,mz) (x,y,-z+1/2;mx,my,-mz) 8d (x,y,1/4;mx,my,0) (x+1,-y+1/2,-1/4;mx,-my,0) (-x+1,y+1/2,1/4;-mx,my,0) (-x,-y,3/4;-mx,-my,0) (-x+1,-y,-1/4;mx,my,0) (-x,y+1/2,1/4;mx,-my,0) (x,-y+1/2,3/4;-mx,my,0) (x+1,y,1/4;-mx,-my,0) 8c (x,1/4,0;0,my,mz) (x+1,1/4,0;0,-my,-mz) (-x+1,3/4,1/2;0,my,-mz) (-x,-1/4,1/2;0,-my,mz) (-x+1,-1/4,0;0,my,mz) (-x,3/4,0;0,-my,-mz) (x,1/4,1/2;0,my,-mz) (x+1,1/4,1/2;0,-my,mz) 8b (1/2,0,0;mx,my,mz) (3/2,1/2,0;mx,-my,-mz) (1/2,1/2,1/2;-mx,my,-mz) (-1/2,0,1/2;-mx,-my,mz) (3/2,0,0;-mx,-my,-mz) (1/2,1/2,0;-mx,my,mz) (-1/2,1/2,1/2;mx,-my,mz) (1/2,0,1/2;mx,my,-mz) 8a (0,0,0;0,0,0) (1,1/2,0;0,0,0) (1,1/2,1/2;0,0,0) (0,0,1/2;0,0,0) (1,0,0;0,0,0) (0,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) (1,0,1/2;0,0,0) ---------- UNI: 61.439 Pbca.1'_C[Cmca] BNS: 61.439 P_Cbca OG: 64.16.543 C_Pm'ca' OG-BNS transformation: (0,0,0;a,b,c) Operators (BNS): (1|0,0,0) (2x|1/2,1/2,0) (2y|0,1/2,1/2) (2z|1/2,0,1/2) (-1|0,0,0) (mx|1/2,1/2,0) (my|0,1/2,1/2) (mz|1/2,0,1/2) (1|1/2,1/2,0)' (2x|0,0,0)' (2y|1/2,0,1/2)' (2z|0,1/2,1/2)' (-1|1/2,1/2,0)' (mx|0,0,0)' (my|1/2,0,1/2)' (mz|0,1/2,1/2)' Wyckoff positions (BNS): 16g (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y,-z+1/2;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x,-y,-z;-mx,my,mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) (x,y+1/2,-z+1/2;mx,my,-mz) 8f (0,y,z;0,my,mz) (1/2,-y+1/2,-z;0,-my,-mz) (0,y+1/2,-z+1/2;0,my,-mz) (1/2,-y,z+1/2;0,-my,mz) (0,-y,-z;0,my,mz) (1/2,y+1/2,z;0,-my,-mz) (0,-y+1/2,z+1/2;0,my,-mz) (1/2,y,-z+1/2;0,-my,mz) 8e (1/4,y,1/4;mx,0,mz) (3/4,-y+1/2,3/4;mx,0,-mz) (3/4,y+1/2,1/4;-mx,0,-mz) (1/4,-y,3/4;-mx,0,mz) (3/4,-y,3/4;mx,0,mz) (1/4,y+1/2,1/4;mx,0,-mz) (1/4,-y+1/2,3/4;-mx,0,-mz) (3/4,y,1/4;-mx,0,mz) 8d (x,0,0;0,my,mz) (x+1/2,1/2,0;0,-my,-mz) (-x,1/2,1/2;0,my,-mz) (-x+1/2,0,1/2;0,-my,mz) (-x,0,0;0,my,mz) (-x+1/2,1/2,0;0,-my,-mz) (x,1/2,1/2;0,my,-mz) (x+1/2,0,1/2;0,-my,mz) 8c (1/4,1/4,0;0,0,0) (3/4,1/4,0;0,0,0) (3/4,3/4,1/2;0,0,0) (1/4,3/4,1/2;0,0,0) (3/4,3/4,0;0,0,0) (1/4,3/4,0;0,0,0) (1/4,1/4,1/2;0,0,0) (3/4,1/4,1/2;0,0,0) 4b (1/2,0,0;0,my,mz) (0,1/2,0;0,-my,-mz) (1/2,1/2,1/2;0,my,-mz) (0,0,1/2;0,-my,mz) 4a (0,0,0;0,my,mz) (1/2,1/2,0;0,-my,-mz) (0,1/2,1/2;0,my,-mz) (1/2,0,1/2;0,-my,mz) Operators (OG): (1|0,0,0) (2x|1/2,1/2,0) (2y|1,1/2,1/2) (2z|1/2,0,1/2) (-1|0,0,0) (mx|1/2,1/2,0) (my|1,1/2,1/2) (mz|1/2,0,1/2) (1|1/2,1/2,0)' (2x|0,0,0)' (2y|1/2,0,1/2)' (2z|1,1/2,1/2)' (-1|1/2,1/2,0)' (mx|0,0,0)' (my|1/2,0,1/2)' (mz|1,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16g (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x+1,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x+1,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y,-z+1/2;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x,-y,-z;-mx,my,mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x+1,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) (x+1,y+1/2,-z+1/2;mx,my,-mz) 8f (0,y,z;0,my,mz) (1/2,-y+1/2,-z;0,-my,-mz) (1,y+1/2,-z+1/2;0,my,-mz) (1/2,-y,z+1/2;0,-my,mz) (0,-y,-z;0,my,mz) (1/2,y+1/2,z;0,-my,-mz) (1,-y+1/2,z+1/2;0,my,-mz) (1/2,y,-z+1/2;0,-my,mz) 8e (1/4,y,1/4;mx,0,mz) (3/4,-y+1/2,-1/4;mx,0,-mz) (3/4,y+1/2,1/4;-mx,0,-mz) (1/4,-y,3/4;-mx,0,mz) (-1/4,-y,-1/4;mx,0,mz) (1/4,y+1/2,1/4;mx,0,-mz) (5/4,-y+1/2,3/4;-mx,0,-mz) (3/4,y,1/4;-mx,0,mz) 8d (x,0,0;0,my,mz) (x+1/2,1/2,0;0,-my,-mz) (-x+1,1/2,1/2;0,my,-mz) (-x+1/2,0,1/2;0,-my,mz) (-x,0,0;0,my,mz) (-x+1/2,1/2,0;0,-my,-mz) (x+1,1/2,1/2;0,my,-mz) (x+1/2,0,1/2;0,-my,mz) 8c (1/4,1/4,0;0,0,0) (3/4,1/4,0;0,0,0) (3/4,3/4,1/2;0,0,0) (1/4,-1/4,1/2;0,0,0) (-1/4,-1/4,0;0,0,0) (1/4,3/4,0;0,0,0) (5/4,1/4,1/2;0,0,0) (3/4,1/4,1/2;0,0,0) 4b (1/2,0,0;0,my,mz) (1,1/2,0;0,-my,-mz) (1/2,1/2,1/2;0,my,-mz) (0,0,1/2;0,-my,mz) 4a (0,0,0;0,my,mz) (1/2,1/2,0;0,-my,-mz) (1,1/2,1/2;0,my,-mz) (1/2,0,1/2;0,-my,mz) ---------- UNI: 61.440 Pbca.1'_I[Icab] BNS: 61.440 P_Ibca OG: 73.6.648 I_Pbca OG-BNS transformation: (1/4,1/4,1/4;a,-c,b) Operators (BNS): (1|0,0,0) (2x|1/2,1/2,0) (2y|0,1/2,1/2) (2z|1/2,0,1/2) (-1|0,0,0) (mx|1/2,1/2,0) (my|0,1/2,1/2) (mz|1/2,0,1/2) (1|1/2,1/2,1/2)' (2x|0,0,1/2)' (2y|1/2,0,0)' (2z|0,1/2,0)' (-1|1/2,1/2,1/2)' (mx|0,0,1/2)' (my|1/2,0,0)' (mz|0,1/2,0)' Wyckoff positions (BNS): 16f (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y,-z+1/2;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x+1/2,y,-z;mx,-my,mz) (-x,-y+1/2,z;mx,my,-mz) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (-x,y,z+1/2;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) (x,y+1/2,-z;mx,my,-mz) 8e (3/4,y,0;mx,0,mz) (1/4,-y+1/2,0;mx,0,-mz) (1/4,y+1/2,1/2;-mx,0,-mz) (3/4,-y,1/2;-mx,0,mz) (1/4,-y,0;mx,0,mz) (3/4,y+1/2,0;mx,0,-mz) (3/4,-y+1/2,1/2;-mx,0,-mz) (1/4,y,1/2;-mx,0,mz) 8d (0,1/4,z;mx,my,0) (1/2,1/4,-z;mx,-my,0) (0,3/4,-z+1/2;-mx,my,0) (1/2,3/4,z+1/2;-mx,-my,0) (0,3/4,-z;mx,my,0) (1/2,3/4,z;mx,-my,0) (0,1/4,z+1/2;-mx,my,0) (1/2,1/4,-z+1/2;-mx,-my,0) 8c (x,0,3/4;0,my,mz) (x+1/2,1/2,1/4;0,-my,-mz) (-x,1/2,3/4;0,my,-mz) (-x+1/2,0,1/4;0,-my,mz) (-x,0,1/4;0,my,mz) (-x+1/2,1/2,3/4;0,-my,-mz) (x,1/2,1/4;0,my,-mz) (x+1/2,0,3/4;0,-my,mz) 8b (0,0,0;mx,my,mz) (1/2,1/2,0;mx,-my,-mz) (0,1/2,1/2;-mx,my,-mz) (1/2,0,1/2;-mx,-my,mz) (1/2,1/2,1/2;-mx,-my,-mz) (0,0,1/2;-mx,my,mz) (1/2,0,0;mx,-my,mz) (0,1/2,0;mx,my,-mz) 8a (3/4,1/4,3/4;0,0,0) (1/4,1/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) (1/4,3/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) (3/4,1/4,1/4;0,0,0) (1/4,1/4,3/4;0,0,0) Operators (OG): (1|0,0,0) (2x|1/2,1/2,1) (2z|1/2,1,1/2) (2y|1,1/2,1/2) (-1|1/2,1/2,1/2) (mx|0,0,1/2) (mz|0,1/2,0) (my|1/2,0,0) (1|1/2,1/2,1/2)' (2x|0,0,1/2)' (2z|0,1/2,0)' (2y|1/2,0,0)' (-1|0,0,0)' (mx|1/2,1/2,1)' (mz|1/2,1,1/2)' (my|1,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,0,-1)+ (0,1,0)+ 16f (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z+1;mx,-my,-mz) (-x+1/2,-y+1,z+1/2;-mx,-my,mz) (-x+1,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,-z+1/2;mx,my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,y+1/2,-z;-mx,-my,mz) (x+1/2,-y,z;-mx,my,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x,-y+1/2,z;mx,my,-mz) (-x+1/2,y,-z;mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,y+1/2,z+1;-mx,my,mz) (x+1/2,y+1,-z+1/2;mx,my,-mz) (x+1,-y+1/2,z+1/2;mx,-my,mz) 8e (0,1/4,z;mx,my,0) (1/2,1/4,-z+1;mx,-my,0) (1/2,3/4,z+1/2;-mx,-my,0) (1,3/4,-z+1/2;-mx,my,0) (1/2,1/4,-z+1/2;mx,my,0) (0,1/4,z+1/2;mx,-my,0) (0,3/4,-z;-mx,-my,0) (1/2,-1/4,z;-mx,my,0) 8d (1/4,y,0;mx,0,mz) (3/4,-y+1/2,1;mx,0,-mz) (1/4,-y+1,1/2;-mx,0,mz) (3/4,y+1/2,1/2;-mx,0,-mz) (1/4,-y+1/2,1/2;mx,0,mz) (-1/4,y,1/2;mx,0,-mz) (1/4,y+1/2,0;-mx,0,mz) (3/4,-y,0;-mx,0,-mz) 8c (x,0,1/4;0,my,mz) (x+1/2,1/2,3/4;0,-my,-mz) (-x+1/2,1,3/4;0,-my,mz) (-x+1,1/2,1/4;0,my,-mz) (-x+1/2,1/2,1/4;0,my,mz) (-x,0,3/4;0,-my,-mz) (x,1/2,-1/4;0,-my,mz) (x+1/2,0,1/4;0,my,-mz) 8b (1/4,1/4,1/4;mx,my,mz) (3/4,1/4,3/4;mx,-my,-mz) (1/4,3/4,3/4;-mx,-my,mz) (3/4,3/4,1/4;-mx,my,-mz) (3/4,3/4,3/4;-mx,-my,-mz) (1/4,-1/4,1/4;-mx,my,mz) (-1/4,1/4,1/4;mx,my,-mz) (1/4,1/4,-1/4;mx,-my,mz) 8a (0,0,0;0,0,0) (1/2,1/2,1;0,0,0) (1/2,1,1/2;0,0,0) (1,1/2,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) (0,0,1/2;0,0,0) (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) ---------- UNI: 62.441 Pnma.1 BNS: 62.441 Pnma OG: 62.1.502 Pnma Operators: (1|0,0,0) (2x|1/2,1/2,1/2) (2y|0,1/2,0) (2z|1/2,0,1/2) (-1|0,0,0) (mx|1/2,1/2,1/2) (my|0,1/2,0) (mz|1/2,0,1/2) Wyckoff positions: 8d (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z+1/2;mx,-my,-mz) (-x,y+1/2,-z;-mx,my,-mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x,-y+1/2,z;-mx,my,-mz) (x+1/2,y,-z+1/2;-mx,-my,mz) 4c (x,1/4,z;0,my,0) (x+1/2,1/4,-z+1/2;0,-my,0) (-x,3/4,-z;0,my,0) (-x+1/2,3/4,z+1/2;0,-my,0) 4b (0,0,1/2;mx,my,mz) (1/2,1/2,0;mx,-my,-mz) (0,1/2,1/2;-mx,my,-mz) (1/2,0,0;-mx,-my,mz) 4a (0,0,0;mx,my,mz) (1/2,1/2,1/2;mx,-my,-mz) (0,1/2,0;-mx,my,-mz) (1/2,0,1/2;-mx,-my,mz) ---------- UNI: 62.442 Pnma.1' BNS: 62.442 Pnma1' OG: 62.2.503 Pnma1' Operators: (1|0,0,0) (2x|1/2,1/2,1/2) (2y|0,1/2,0) (2z|1/2,0,1/2) (-1|0,0,0) (mx|1/2,1/2,1/2) (my|0,1/2,0) (mz|1/2,0,1/2) (1|0,0,0)' (2x|1/2,1/2,1/2)' (2y|0,1/2,0)' (2z|1/2,0,1/2)' (-1|0,0,0)' (mx|1/2,1/2,1/2)' (my|0,1/2,0)' (mz|1/2,0,1/2)' Wyckoff positions: 8d (x,y,z;0,0,0) (x+1/2,-y+1/2,-z+1/2;0,0,0) (-x,y+1/2,-z;0,0,0) (-x+1/2,-y,z+1/2;0,0,0) (-x,-y,-z;0,0,0) (-x+1/2,y+1/2,z+1/2;0,0,0) (x,-y+1/2,z;0,0,0) (x+1/2,y,-z+1/2;0,0,0) 4c (x,1/4,z;0,0,0) (x+1/2,1/4,-z+1/2;0,0,0) (-x,3/4,-z;0,0,0) (-x+1/2,3/4,z+1/2;0,0,0) 4b (0,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,0;0,0,0) 4a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) ---------- UNI: 62.443 Pn'ma BNS: 62.443 Pn'ma OG: 62.3.504 Pn'ma Operators: (1|0,0,0) (2x|1/2,1/2,1/2) (2y|0,1/2,0)' (2z|1/2,0,1/2)' (-1|0,0,0)' (mx|1/2,1/2,1/2)' (my|0,1/2,0) (mz|1/2,0,1/2) Wyckoff positions: 8d (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z+1/2;mx,-my,-mz) (-x,y+1/2,-z;mx,-my,mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x,-y+1/2,z;-mx,my,-mz) (x+1/2,y,-z+1/2;-mx,-my,mz) 4c (x,1/4,z;0,my,0) (x+1/2,1/4,-z+1/2;0,-my,0) (-x,3/4,-z;0,-my,0) (-x+1/2,3/4,z+1/2;0,my,0) 4b (0,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,0;0,0,0) 4a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) ---------- UNI: 62.444 Pnm'a BNS: 62.444 Pnm'a OG: 62.4.505 Pnm'a Operators: (1|0,0,0) (2x|1/2,1/2,1/2)' (2y|0,1/2,0) (2z|1/2,0,1/2)' (-1|0,0,0)' (mx|1/2,1/2,1/2) (my|0,1/2,0)' (mz|1/2,0,1/2) Wyckoff positions: 8d (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x,y+1/2,-z;-mx,my,-mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x,-y+1/2,z;mx,-my,mz) (x+1/2,y,-z+1/2;-mx,-my,mz) 4c (x,1/4,z;mx,0,mz) (x+1/2,1/4,-z+1/2;-mx,0,mz) (-x,3/4,-z;-mx,0,-mz) (-x+1/2,3/4,z+1/2;mx,0,-mz) 4b (0,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,0;0,0,0) 4a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) ---------- UNI: 62.445 Pnma' BNS: 62.445 Pnma' OG: 62.5.506 Pnma' Operators: (1|0,0,0) (2x|1/2,1/2,1/2)' (2y|0,1/2,0)' (2z|1/2,0,1/2) (-1|0,0,0)' (mx|1/2,1/2,1/2) (my|0,1/2,0) (mz|1/2,0,1/2)' Wyckoff positions: 8d (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x,y+1/2,-z;mx,-my,mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x,-y+1/2,z;-mx,my,-mz) (x+1/2,y,-z+1/2;mx,my,-mz) 4c (x,1/4,z;0,my,0) (x+1/2,1/4,-z+1/2;0,my,0) (-x,3/4,-z;0,-my,0) (-x+1/2,3/4,z+1/2;0,-my,0) 4b (0,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,0;0,0,0) 4a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) ---------- UNI: 62.446 Pn'm'a BNS: 62.446 Pn'm'a OG: 62.6.507 Pn'm'a Operators: (1|0,0,0) (2x|1/2,1/2,1/2)' (2y|0,1/2,0)' (2z|1/2,0,1/2) (-1|0,0,0) (mx|1/2,1/2,1/2)' (my|0,1/2,0)' (mz|1/2,0,1/2) Wyckoff positions: 8d (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x,y+1/2,-z;mx,-my,mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x,-y+1/2,z;mx,-my,mz) (x+1/2,y,-z+1/2;-mx,-my,mz) 4c (x,1/4,z;mx,0,mz) (x+1/2,1/4,-z+1/2;-mx,0,mz) (-x,3/4,-z;mx,0,mz) (-x+1/2,3/4,z+1/2;-mx,0,mz) 4b (0,0,1/2;mx,my,mz) (1/2,1/2,0;-mx,my,mz) (0,1/2,1/2;mx,-my,mz) (1/2,0,0;-mx,-my,mz) 4a (0,0,0;mx,my,mz) (1/2,1/2,1/2;-mx,my,mz) (0,1/2,0;mx,-my,mz) (1/2,0,1/2;-mx,-my,mz) ---------- UNI: 62.447 Pnm'a' BNS: 62.447 Pnm'a' OG: 62.7.508 Pnm'a' Operators: (1|0,0,0) (2x|1/2,1/2,1/2) (2y|0,1/2,0)' (2z|1/2,0,1/2)' (-1|0,0,0) (mx|1/2,1/2,1/2) (my|0,1/2,0)' (mz|1/2,0,1/2)' Wyckoff positions: 8d (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z+1/2;mx,-my,-mz) (-x,y+1/2,-z;mx,-my,mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x,-y+1/2,z;mx,-my,mz) (x+1/2,y,-z+1/2;mx,my,-mz) 4c (x,1/4,z;mx,0,mz) (x+1/2,1/4,-z+1/2;mx,0,-mz) (-x,3/4,-z;mx,0,mz) (-x+1/2,3/4,z+1/2;mx,0,-mz) 4b (0,0,1/2;mx,my,mz) (1/2,1/2,0;mx,-my,-mz) (0,1/2,1/2;mx,-my,mz) (1/2,0,0;mx,my,-mz) 4a (0,0,0;mx,my,mz) (1/2,1/2,1/2;mx,-my,-mz) (0,1/2,0;mx,-my,mz) (1/2,0,1/2;mx,my,-mz) ---------- UNI: 62.448 Pn'ma' BNS: 62.448 Pn'ma' OG: 62.8.509 Pn'ma' Operators: (1|0,0,0) (2x|1/2,1/2,1/2)' (2y|0,1/2,0) (2z|1/2,0,1/2)' (-1|0,0,0) (mx|1/2,1/2,1/2)' (my|0,1/2,0) (mz|1/2,0,1/2)' Wyckoff positions: 8d (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x,y+1/2,-z;-mx,my,-mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x,-y+1/2,z;-mx,my,-mz) (x+1/2,y,-z+1/2;mx,my,-mz) 4c (x,1/4,z;0,my,0) (x+1/2,1/4,-z+1/2;0,my,0) (-x,3/4,-z;0,my,0) (-x+1/2,3/4,z+1/2;0,my,0) 4b (0,0,1/2;mx,my,mz) (1/2,1/2,0;-mx,my,mz) (0,1/2,1/2;-mx,my,-mz) (1/2,0,0;mx,my,-mz) 4a (0,0,0;mx,my,mz) (1/2,1/2,1/2;-mx,my,mz) (0,1/2,0;-mx,my,-mz) (1/2,0,1/2;mx,my,-mz) ---------- UNI: 62.449 Pn'm'a' BNS: 62.449 Pn'm'a' OG: 62.9.510 Pn'm'a' Operators: (1|0,0,0) (2x|1/2,1/2,1/2) (2y|0,1/2,0) (2z|1/2,0,1/2) (-1|0,0,0)' (mx|1/2,1/2,1/2)' (my|0,1/2,0)' (mz|1/2,0,1/2)' Wyckoff positions: 8d (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z+1/2;mx,-my,-mz) (-x,y+1/2,-z;-mx,my,-mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x,-y+1/2,z;mx,-my,mz) (x+1/2,y,-z+1/2;mx,my,-mz) 4c (x,1/4,z;mx,0,mz) (x+1/2,1/4,-z+1/2;mx,0,-mz) (-x,3/4,-z;-mx,0,-mz) (-x+1/2,3/4,z+1/2;-mx,0,mz) 4b (0,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,0;0,0,0) 4a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) ---------- UNI: 62.450 Pnma.1'_a[Pnmm] BNS: 62.450 P_anma OG: 59.9.486 P_2cm'mn OG-BNS transformation: (1/2,1/2,1/2;2c,-b,a) Operators (BNS): (1|0,0,0) (2x|1/2,1/2,1/2) (2y|0,1/2,0) (2z|1/2,0,1/2) (-1|0,0,0) (mx|1/2,1/2,1/2) (my|0,1/2,0) (mz|1/2,0,1/2) (1|1/2,0,0)' (2x|0,1/2,1/2)' (2y|1/2,1/2,0)' (2z|0,0,1/2)' (-1|1/2,0,0)' (mx|0,1/2,1/2)' (my|1/2,1/2,0)' (mz|0,0,1/2)' Wyckoff positions (BNS): 16g (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z+1/2;mx,-my,-mz) (-x,y+1/2,-z;-mx,my,-mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x,-y+1/2,z;-mx,my,-mz) (x+1/2,y,-z+1/2;-mx,-my,mz) (x+1/2,y,z;-mx,-my,-mz) (x,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z;mx,-my,mz) (-x,-y,z+1/2;mx,my,-mz) (-x+1/2,-y,-z;-mx,-my,-mz) (-x,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z;mx,-my,mz) (x,y,-z+1/2;mx,my,-mz) 8f (x,1/4,z;0,my,0) (x+1/2,1/4,-z+1/2;0,-my,0) (-x,3/4,-z;0,my,0) (-x+1/2,3/4,z+1/2;0,-my,0) (x+1/2,1/4,z;0,-my,0) (x,1/4,-z+1/2;0,my,0) (-x+1/2,3/4,-z;0,-my,0) (-x,3/4,z+1/2;0,my,0) 8e (x,y,3/4;mx,my,0) (x+1/2,-y+1/2,3/4;mx,-my,0) (-x,y+1/2,1/4;-mx,my,0) (-x+1/2,-y,1/4;-mx,-my,0) (-x,-y,1/4;mx,my,0) (-x+1/2,y+1/2,1/4;mx,-my,0) (x,-y+1/2,3/4;-mx,my,0) (x+1/2,y,3/4;-mx,-my,0) 8d (0,1/2,1/2;mx,my,mz) (1/2,0,0;mx,-my,-mz) (0,0,1/2;-mx,my,-mz) (1/2,1/2,0;-mx,-my,mz) (1/2,1/2,1/2;-mx,-my,-mz) (0,0,0;-mx,my,mz) (1/2,0,1/2;mx,-my,mz) (0,1/2,0;mx,my,-mz) 8c (3/4,1/2,1/2;0,0,0) (1/4,0,0;0,0,0) (1/4,0,1/2;0,0,0) (3/4,1/2,0;0,0,0) (1/4,1/2,1/2;0,0,0) (3/4,0,0;0,0,0) (3/4,0,1/2;0,0,0) (1/4,1/2,0;0,0,0) 4b (x,3/4,3/4;0,my,0) (x+1/2,3/4,3/4;0,-my,0) (-x,1/4,1/4;0,my,0) (-x+1/2,1/4,1/4;0,-my,0) 4a (x,1/4,3/4;0,my,0) (x+1/2,1/4,3/4;0,-my,0) (-x,3/4,1/4;0,my,0) (-x+1/2,3/4,1/4;0,-my,0) Operators (OG): (1|0,0,0) (2z|1/2,1/2,1) (2y|0,1/2,1) (2x|1/2,0,0) (-1|0,0,1) (mz|1/2,1/2,0) (my|0,1/2,0) (mx|1/2,0,1) (1|0,0,1)' (2z|1/2,1/2,0)' (2y|0,1/2,0)' (2x|1/2,0,1)' (-1|0,0,0)' (mz|1/2,1/2,1)' (my|0,1/2,1)' (mx|1/2,0,0)' Wyckoff positions (OG): (0,0,0)+ (0,0,2)+ (0,-1,0)+ (1,0,0)+ 16g (x,y,z;mx,my,mz) (-x+1/2,-y+1/2,z+1;-mx,-my,mz) (-x,y+1/2,-z+1;-mx,my,-mz) (x+1/2,-y,-z;mx,-my,-mz) (-x,-y,-z+1;mx,my,mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (x,-y+1/2,z;-mx,my,-mz) (-x+1/2,y,z+1;mx,-my,-mz) (x,y,z+1;-mx,-my,-mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x,y+1/2,-z;mx,-my,mz) (x+1/2,-y,-z+1;-mx,my,mz) (-x,-y,-z;-mx,-my,-mz) (x+1/2,y+1/2,-z+1;mx,my,-mz) (x,-y+1/2,z+1;mx,-my,mz) (-x+1/2,y,z;-mx,my,mz) 8f (x,1/4,z;0,my,0) (-x+1/2,1/4,z+1;0,-my,0) (-x,3/4,-z+1;0,my,0) (x+1/2,-1/4,-z;0,-my,0) (x,1/4,z+1;0,-my,0) (-x+1/2,1/4,z;0,my,0) (-x,3/4,-z;0,-my,0) (x+1/2,-1/4,-z+1;0,my,0) 8e (1/4,y,z;0,my,mz) (1/4,-y+1/2,z+1;0,-my,mz) (-1/4,y+1/2,-z+1;0,my,-mz) (3/4,-y,-z;0,-my,-mz) (-1/4,-y,-z+1;0,my,mz) (3/4,y+1/2,-z;0,-my,mz) (1/4,-y+1/2,z;0,my,-mz) (1/4,y,z+1;0,-my,-mz) 8d (0,0,1/2;mx,my,mz) (1/2,1/2,3/2;-mx,-my,mz) (0,1/2,1/2;-mx,my,-mz) (1/2,0,-1/2;mx,-my,-mz) (0,0,3/2;-mx,-my,-mz) (1/2,1/2,1/2;mx,my,-mz) (0,1/2,-1/2;mx,-my,mz) (1/2,0,1/2;-mx,my,mz) 8c (0,0,0;0,0,0) (1/2,1/2,1;0,0,0) (0,1/2,1;0,0,0) (1/2,0,0;0,0,0) (0,0,1;0,0,0) (1/2,1/2,0;0,0,0) (0,1/2,0;0,0,0) (1/2,0,1;0,0,0) 4b (1/4,3/4,z;0,my,0) (1/4,-1/4,z+1;0,-my,0) (-1/4,5/4,-z+1;0,my,0) (3/4,-3/4,-z;0,-my,0) 4a (1/4,1/4,z;0,my,0) (1/4,1/4,z+1;0,-my,0) (-1/4,3/4,-z+1;0,my,0) (3/4,-1/4,-z;0,-my,0) ---------- UNI: 62.451 Pnma.1'_b[Pcma] BNS: 62.451 P_bnma OG: 55.9.449 P_2cb'am OG-BNS transformation: (0,0,1/2;a,-2c,b) Operators (BNS): (1|0,0,0) (2x|1/2,1/2,1/2) (2y|0,1/2,0) (2z|1/2,0,1/2) (-1|0,0,0) (mx|1/2,1/2,1/2) (my|0,1/2,0) (mz|1/2,0,1/2) (1|0,1/2,0)' (2x|1/2,0,1/2)' (2y|0,0,0)' (2z|1/2,1/2,1/2)' (-1|0,1/2,0)' (mx|1/2,0,1/2)' (my|0,0,0)' (mz|1/2,1/2,1/2)' Wyckoff positions (BNS): 16i (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z+1/2;mx,-my,-mz) (-x,y+1/2,-z;-mx,my,-mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x,-y+1/2,z;-mx,my,-mz) (x+1/2,y,-z+1/2;-mx,-my,mz) (x,y+1/2,z;-mx,-my,-mz) (x+1/2,-y,-z+1/2;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x,-y+1/2,-z;-mx,-my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x,-y,z;mx,-my,mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) 8h (x,0,z;mx,0,mz) (x+1/2,1/2,-z+1/2;mx,0,-mz) (-x,1/2,-z;-mx,0,-mz) (-x+1/2,0,z+1/2;-mx,0,mz) (-x,0,-z;mx,0,mz) (-x+1/2,1/2,z+1/2;mx,0,-mz) (x,1/2,z;-mx,0,-mz) (x+1/2,0,-z+1/2;-mx,0,mz) 8g (x,1/4,z;0,my,0) (x+1/2,1/4,-z+1/2;0,-my,0) (-x,3/4,-z;0,my,0) (-x+1/2,3/4,z+1/2;0,-my,0) (x,3/4,z;0,-my,0) (x+1/2,3/4,-z+1/2;0,my,0) (-x,1/4,-z;0,-my,0) (-x+1/2,1/4,z+1/2;0,my,0) 8f (0,y,1/2;mx,0,mz) (1/2,-y+1/2,0;mx,0,-mz) (0,y+1/2,1/2;-mx,0,-mz) (1/2,-y,0;-mx,0,mz) (0,-y,1/2;mx,0,mz) (1/2,y+1/2,0;mx,0,-mz) (0,-y+1/2,1/2;-mx,0,-mz) (1/2,y,0;-mx,0,mz) 8e (0,y,0;mx,0,mz) (1/2,-y+1/2,1/2;mx,0,-mz) (0,y+1/2,0;-mx,0,-mz) (1/2,-y,1/2;-mx,0,mz) (0,-y,0;mx,0,mz) (1/2,y+1/2,1/2;mx,0,-mz) (0,-y+1/2,0;-mx,0,-mz) (1/2,y,1/2;-mx,0,mz) 4d (0,0,1/2;mx,0,mz) (1/2,1/2,0;mx,0,-mz) (0,1/2,1/2;-mx,0,-mz) (1/2,0,0;-mx,0,mz) 4c (0,1/4,1/2;0,0,0) (1/2,1/4,0;0,0,0) (0,3/4,1/2;0,0,0) (1/2,3/4,0;0,0,0) 4b (0,0,0;mx,0,mz) (1/2,1/2,1/2;mx,0,-mz) (0,1/2,0;-mx,0,-mz) (1/2,0,1/2;-mx,0,mz) 4a (0,1/4,0;0,0,0) (1/2,1/4,1/2;0,0,0) (0,3/4,0;0,0,0) (1/2,3/4,1/2;0,0,0) Operators (OG): (1|0,0,0) (2x|1/2,1/2,0) (2z|0,0,1) (2y|1/2,1/2,1) (-1|0,0,1) (mx|1/2,1/2,1) (mz|0,0,0) (my|1/2,1/2,0) (1|0,0,1)' (2x|1/2,1/2,1)' (2z|0,0,0)' (2y|1/2,1/2,0)' (-1|0,0,0)' (mx|1/2,1/2,0)' (mz|0,0,1)' (my|1/2,1/2,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,0,-2)+ (0,1,0)+ 16i (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x,-y,z+1;-mx,-my,mz) (-x+1/2,y+1/2,-z+1;-mx,my,-mz) (-x,-y,-z+1;mx,my,mz) (-x+1/2,y+1/2,z+1;mx,-my,-mz) (x,y,-z;-mx,-my,mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (x,y,z+1;-mx,-my,-mz) (x+1/2,-y+1/2,-z+1;-mx,my,mz) (-x,-y,z;mx,my,-mz) (-x+1/2,y+1/2,-z;mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x,y,-z+1;mx,my,-mz) (x+1/2,-y+1/2,z+1;mx,-my,mz) 8h (x,y,1/2;mx,my,0) (x+1/2,-y+1/2,-1/2;mx,-my,0) (-x,-y,3/2;-mx,-my,0) (-x+1/2,y+1/2,1/2;-mx,my,0) (-x,-y,1/2;mx,my,0) (-x+1/2,y+1/2,3/2;mx,-my,0) (x,y,-1/2;-mx,-my,0) (x+1/2,-y+1/2,1/2;-mx,my,0) 8g (x,y,0;0,0,mz) (x+1/2,-y+1/2,0;0,0,-mz) (-x,-y,1;0,0,mz) (-x+1/2,y+1/2,1;0,0,-mz) (x,y,1;0,0,-mz) (x+1/2,-y+1/2,1;0,0,mz) (-x,-y,0;0,0,-mz) (-x+1/2,y+1/2,0;0,0,mz) 8f (0,1/2,z;mx,my,0) (1/2,0,-z;mx,-my,0) (0,-1/2,z+1;-mx,-my,0) (1/2,1,-z+1;-mx,my,0) (0,-1/2,-z+1;mx,my,0) (1/2,1,z+1;mx,-my,0) (0,1/2,-z;-mx,-my,0) (1/2,0,z;-mx,my,0) 8e (0,0,z;mx,my,0) (1/2,1/2,-z;mx,-my,0) (0,0,z+1;-mx,-my,0) (1/2,1/2,-z+1;-mx,my,0) (0,0,-z+1;mx,my,0) (1/2,1/2,z+1;mx,-my,0) (0,0,-z;-mx,-my,0) (1/2,1/2,z;-mx,my,0) 4d (0,1/2,1/2;mx,my,0) (1/2,0,-1/2;mx,-my,0) (0,-1/2,3/2;-mx,-my,0) (1/2,1,1/2;-mx,my,0) 4c (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) (0,-1/2,1;0,0,0) (1/2,1,1;0,0,0) 4b (0,0,1/2;mx,my,0) (1/2,1/2,-1/2;mx,-my,0) (0,0,3/2;-mx,-my,0) (1/2,1/2,1/2;-mx,my,0) 4a (0,0,0;0,0,0) (1/2,1/2,0;0,0,0) (0,0,1;0,0,0) (1/2,1/2,1;0,0,0) ---------- UNI: 62.452 Pnma.1'_c[Pbma] BNS: 62.452 P_cnma OG: 57.11.468 P_2abc'm OG-BNS transformation: (1/2,0,0;b,c,2a) Operators (BNS): (1|0,0,0) (2x|1/2,1/2,1/2) (2y|0,1/2,0) (2z|1/2,0,1/2) (-1|0,0,0) (mx|1/2,1/2,1/2) (my|0,1/2,0) (mz|1/2,0,1/2) (1|0,0,1/2)' (2x|1/2,1/2,0)' (2y|0,1/2,1/2)' (2z|1/2,0,0)' (-1|0,0,1/2)' (mx|1/2,1/2,0)' (my|0,1/2,1/2)' (mz|1/2,0,0)' Wyckoff positions (BNS): 16e (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z+1/2;mx,-my,-mz) (-x,y+1/2,-z;-mx,my,-mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x,-y+1/2,z;-mx,my,-mz) (x+1/2,y,-z+1/2;-mx,-my,mz) (x,y,z+1/2;-mx,-my,-mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y,z;mx,my,-mz) (-x,-y,-z+1/2;-mx,-my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x,-y+1/2,z+1/2;mx,-my,mz) (x+1/2,y,-z;mx,my,-mz) 8d (x,1/4,z;0,my,0) (x+1/2,1/4,-z+1/2;0,-my,0) (-x,3/4,-z;0,my,0) (-x+1/2,3/4,z+1/2;0,-my,0) (x,1/4,z+1/2;0,-my,0) (x+1/2,1/4,-z;0,my,0) (-x,3/4,-z+1/2;0,-my,0) (-x+1/2,3/4,z;0,my,0) 8c (1/4,0,z;mx,my,0) (3/4,1/2,-z+1/2;mx,-my,0) (3/4,1/2,-z;-mx,my,0) (1/4,0,z+1/2;-mx,-my,0) (3/4,0,-z;mx,my,0) (1/4,1/2,z+1/2;mx,-my,0) (1/4,1/2,z;-mx,my,0) (3/4,0,-z+1/2;-mx,-my,0) 8b (0,0,0;mx,my,mz) (1/2,1/2,1/2;mx,-my,-mz) (0,1/2,0;-mx,my,-mz) (1/2,0,1/2;-mx,-my,mz) (0,0,1/2;-mx,-my,-mz) (1/2,1/2,0;-mx,my,mz) (0,1/2,1/2;mx,-my,mz) (1/2,0,0;mx,my,-mz) 8a (0,0,3/4;0,0,0) (1/2,1/2,3/4;0,0,0) (0,1/2,1/4;0,0,0) (1/2,0,1/4;0,0,0) (0,0,1/4;0,0,0) (1/2,1/2,1/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,0,3/4;0,0,0) Operators (OG): (1|0,0,0) (2y|0,1/2,1/2) (2z|1,0,1/2) (2x|1,1/2,0) (-1|1,0,0) (my|1,1/2,1/2) (mz|0,0,1/2) (mx|0,1/2,0) (1|1,0,0)' (2y|1,1/2,1/2)' (2z|0,0,1/2)' (2x|0,1/2,0)' (-1|0,0,0)' (my|0,1/2,1/2)' (mz|1,0,1/2)' (mx|1,1/2,0)' Wyckoff positions (OG): (0,0,0)+ (0,1,0)+ (0,0,1)+ (2,0,0)+ 16e (x,y,z;mx,my,mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x+1,-y,z+1/2;-mx,-my,mz) (x+1,-y+1/2,-z;mx,-my,-mz) (-x+1,-y,-z;mx,my,mz) (x+1,-y+1/2,z+1/2;-mx,my,-mz) (x,y,-z+1/2;-mx,-my,mz) (-x,y+1/2,z;mx,-my,-mz) (x+1,y,z;-mx,-my,-mz) (-x+1,y+1/2,-z+1/2;mx,-my,mz) (-x,-y,z+1/2;mx,my,-mz) (x,-y+1/2,-z;-mx,my,mz) (-x,-y,-z;-mx,-my,-mz) (x,-y+1/2,z+1/2;mx,-my,mz) (x+1,y,-z+1/2;mx,my,-mz) (-x+1,y+1/2,z;-mx,my,mz) 8d (x,y,1/4;0,0,mz) (-x,y+1/2,1/4;0,0,-mz) (-x+1,-y,3/4;0,0,mz) (x+1,-y+1/2,-1/4;0,0,-mz) (x+1,y,1/4;0,0,-mz) (-x+1,y+1/2,1/4;0,0,mz) (-x,-y,3/4;0,0,-mz) (x,-y+1/2,-1/4;0,0,mz) 8c (x,1/4,0;0,my,mz) (-x,3/4,1/2;0,my,-mz) (-x+1,-1/4,1/2;0,-my,mz) (x+1,1/4,0;0,-my,-mz) (-x+1,-1/4,0;0,my,mz) (x+1,1/4,1/2;0,my,-mz) (x,1/4,1/2;0,-my,mz) (-x,3/4,0;0,-my,-mz) 8b (1/2,0,0;mx,my,mz) (-1/2,1/2,1/2;-mx,my,-mz) (1/2,0,1/2;-mx,-my,mz) (3/2,1/2,0;mx,-my,-mz) (3/2,0,0;-mx,-my,-mz) (1/2,1/2,1/2;mx,-my,mz) (-1/2,0,1/2;mx,my,-mz) (1/2,1/2,0;-mx,my,mz) 8a (0,0,0;0,0,0) (0,1/2,1/2;0,0,0) (1,0,1/2;0,0,0) (1,1/2,0;0,0,0) (1,0,0;0,0,0) (1,1/2,1/2;0,0,0) (0,0,1/2;0,0,0) (0,1/2,0;0,0,0) ---------- UNI: 62.453 Pnma.1'_A[Amma] BNS: 62.453 P_Anma OG: 63.13.523 C_Pmcm' OG-BNS transformation: (1/4,1/4,0;c,a,b) Operators (BNS): (1|0,0,0) (2x|1/2,1/2,1/2) (2y|0,1/2,0) (2z|1/2,0,1/2) (-1|0,0,0) (mx|1/2,1/2,1/2) (my|0,1/2,0) (mz|1/2,0,1/2) (1|0,1/2,1/2)' (2x|1/2,0,0)' (2y|0,0,1/2)' (2z|1/2,1/2,0)' (-1|0,1/2,1/2)' (mx|1/2,0,0)' (my|0,0,1/2)' (mz|1/2,1/2,0)' Wyckoff positions (BNS): 16h (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z+1/2;mx,-my,-mz) (-x,y+1/2,-z;-mx,my,-mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x,-y+1/2,z;-mx,my,-mz) (x+1/2,y,-z+1/2;-mx,-my,mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (x+1/2,-y,-z;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x,-y+1/2,-z+1/2;-mx,-my,-mz) (-x+1/2,y,z;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z;mx,my,-mz) 8g (1/4,y,z;0,my,mz) (3/4,-y+1/2,-z+1/2;0,-my,-mz) (3/4,y+1/2,-z;0,my,-mz) (1/4,-y,z+1/2;0,-my,mz) (3/4,-y,-z;0,my,mz) (1/4,y+1/2,z+1/2;0,-my,-mz) (1/4,-y+1/2,z;0,my,-mz) (3/4,y,-z+1/2;0,-my,mz) 8f (x,3/4,z;0,my,0) (x+1/2,3/4,-z+1/2;0,-my,0) (-x,1/4,-z;0,my,0) (-x+1/2,1/4,z+1/2;0,-my,0) (x,1/4,z+1/2;0,-my,0) (x+1/2,1/4,-z;0,my,0) (-x,3/4,-z+1/2;0,-my,0) (-x+1/2,3/4,z;0,my,0) 8e (0,y,3/4;mx,0,mz) (1/2,-y+1/2,3/4;mx,0,-mz) (0,y+1/2,1/4;-mx,0,-mz) (1/2,-y,1/4;-mx,0,mz) (0,-y,1/4;mx,0,mz) (1/2,y+1/2,1/4;mx,0,-mz) (0,-y+1/2,3/4;-mx,0,-mz) (1/2,y,3/4;-mx,0,mz) 8d (0,0,0;mx,my,mz) (1/2,1/2,1/2;mx,-my,-mz) (0,1/2,0;-mx,my,-mz) (1/2,0,1/2;-mx,-my,mz) (0,1/2,1/2;-mx,-my,-mz) (1/2,0,0;-mx,my,mz) (0,0,1/2;mx,-my,mz) (1/2,1/2,0;mx,my,-mz) 4c (1/4,3/4,z;0,my,0) (3/4,3/4,-z+1/2;0,-my,0) (3/4,1/4,-z;0,my,0) (1/4,1/4,z+1/2;0,-my,0) 4b (0,3/4,1/4;0,0,0) (1/2,3/4,1/4;0,0,0) (0,1/4,3/4;0,0,0) (1/2,1/4,3/4;0,0,0) 4a (0,3/4,3/4;0,0,0) (1/2,3/4,3/4;0,0,0) (0,1/4,1/4;0,0,0) (1/2,1/4,1/4;0,0,0) Operators (OG): (1|0,0,0) (2z|0,0,1/2) (2x|1/2,1/2,0) (2y|1/2,1/2,1/2) (-1|1/2,1/2,0) (mz|1/2,1/2,1/2) (mx|0,0,0) (my|0,0,1/2) (1|1/2,1/2,0)' (2z|1/2,1/2,1/2)' (2x|0,0,0)' (2y|0,0,1/2)' (-1|0,0,0)' (mz|0,0,1/2)' (mx|1/2,1/2,0)' (my|1/2,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (0,0,1)+ (1,0,0)+ (0,1,0)+ 16h (x,y,z;mx,my,mz) (-x,-y,z+1/2;-mx,-my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,-z;mx,my,mz) (x+1/2,y+1/2,-z+1/2;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (x,-y,-z;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (x,y,-z+1/2;mx,my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) 8g (x,y,1/4;mx,my,0) (-x,-y,3/4;-mx,-my,0) (x+1/2,-y+1/2,-1/4;mx,-my,0) (-x+1/2,y+1/2,1/4;-mx,my,0) (-x+1/2,-y+1/2,-1/4;mx,my,0) (x+1/2,y+1/2,1/4;-mx,-my,0) (-x,y,1/4;mx,-my,0) (x,-y,3/4;-mx,my,0) 8f (0,y,z;mx,0,0) (0,-y,z+1/2;-mx,0,0) (1/2,-y+1/2,-z;mx,0,0) (1/2,y+1/2,-z+1/2;-mx,0,0) (1/2,y+1/2,z;-mx,0,0) (1/2,-y+1/2,z+1/2;mx,0,0) (0,-y,-z;-mx,0,0) (0,y,-z+1/2;mx,0,0) 8e (x,0,0;0,my,mz) (-x,0,1/2;0,-my,mz) (x+1/2,1/2,0;0,-my,-mz) (-x+1/2,1/2,1/2;0,my,-mz) (-x+1/2,1/2,0;0,my,mz) (x+1/2,1/2,1/2;0,-my,mz) (-x,0,0;0,-my,-mz) (x,0,1/2;0,my,-mz) 8d (1/4,1/4,0;mx,my,mz) (-1/4,-1/4,1/2;-mx,-my,mz) (3/4,1/4,0;mx,-my,-mz) (1/4,3/4,1/2;-mx,my,-mz) (3/4,3/4,0;-mx,-my,-mz) (1/4,1/4,1/2;mx,my,-mz) (1/4,-1/4,0;-mx,my,mz) (-1/4,1/4,1/2;mx,-my,mz) 4c (0,y,1/4;mx,0,0) (0,-y,3/4;-mx,0,0) (1/2,-y+1/2,-1/4;mx,0,0) (1/2,y+1/2,1/4;-mx,0,0) 4b (0,1/2,0;0,0,0) (0,-1/2,1/2;0,0,0) (1/2,0,0;0,0,0) (1/2,1,1/2;0,0,0) 4a (0,0,0;0,0,0) (0,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) ---------- UNI: 62.454 Pnma.1'_B[Bbmm] BNS: 62.454 P_Bnma OG: 63.14.524 C_Pm'c'm OG-BNS transformation: (0,0,0;b,c,a) Operators (BNS): (1|0,0,0) (2x|1/2,1/2,1/2) (2y|0,1/2,0) (2z|1/2,0,1/2) (-1|0,0,0) (mx|1/2,1/2,1/2) (my|0,1/2,0) (mz|1/2,0,1/2) (1|1/2,0,1/2)' (2x|0,1/2,0)' (2y|1/2,1/2,1/2)' (2z|0,0,0)' (-1|1/2,0,1/2)' (mx|0,1/2,0)' (my|1/2,1/2,1/2)' (mz|0,0,0)' Wyckoff positions (BNS): 16h (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z+1/2;mx,-my,-mz) (-x,y+1/2,-z;-mx,my,-mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x,-y+1/2,z;-mx,my,-mz) (x+1/2,y,-z+1/2;-mx,-my,mz) (x+1/2,y,z+1/2;-mx,-my,-mz) (x,-y+1/2,-z;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x,-y,z;mx,my,-mz) (-x+1/2,-y,-z+1/2;-mx,-my,-mz) (-x,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (x,y,-z;mx,my,-mz) 8g (x,1/4,z;0,my,0) (x+1/2,1/4,-z+1/2;0,-my,0) (-x,3/4,-z;0,my,0) (-x+1/2,3/4,z+1/2;0,-my,0) (x+1/2,1/4,z+1/2;0,-my,0) (x,1/4,-z;0,my,0) (-x+1/2,3/4,-z+1/2;0,-my,0) (-x,3/4,z;0,my,0) 8f (x,y,0;mx,my,0) (x+1/2,-y+1/2,1/2;mx,-my,0) (-x,y+1/2,0;-mx,my,0) (-x+1/2,-y,1/2;-mx,-my,0) (-x,-y,0;mx,my,0) (-x+1/2,y+1/2,1/2;mx,-my,0) (x,-y+1/2,0;-mx,my,0) (x+1/2,y,1/2;-mx,-my,0) 8e (0,0,z;mx,my,0) (1/2,1/2,-z+1/2;mx,-my,0) (0,1/2,-z;-mx,my,0) (1/2,0,z+1/2;-mx,-my,0) (0,0,-z;mx,my,0) (1/2,1/2,z+1/2;mx,-my,0) (0,1/2,z;-mx,my,0) (1/2,0,-z+1/2;-mx,-my,0) 8d (1/4,0,1/4;0,0,0) (3/4,1/2,1/4;0,0,0) (3/4,1/2,3/4;0,0,0) (1/4,0,3/4;0,0,0) (3/4,0,3/4;0,0,0) (1/4,1/2,3/4;0,0,0) (1/4,1/2,1/4;0,0,0) (3/4,0,1/4;0,0,0) 4c (x,1/4,0;0,my,0) (x+1/2,1/4,1/2;0,-my,0) (-x,3/4,0;0,my,0) (-x+1/2,3/4,1/2;0,-my,0) 4b (1/2,0,0;mx,my,0) (0,1/2,1/2;mx,-my,0) (1/2,1/2,0;-mx,my,0) (0,0,1/2;-mx,-my,0) 4a (0,0,0;mx,my,0) (1/2,1/2,1/2;mx,-my,0) (0,1/2,0;-mx,my,0) (1/2,0,1/2;-mx,-my,0) Operators (OG): (1|0,0,0) (2y|1/2,1/2,1/2) (2z|0,0,1/2) (2x|1/2,1/2,0) (-1|0,0,0) (my|1/2,1/2,1/2) (mz|0,0,1/2) (mx|1/2,1/2,0) (1|1/2,1/2,0)' (2y|0,0,1/2)' (2z|1/2,1/2,1/2)' (2x|0,0,0)' (-1|1/2,1/2,0)' (my|0,0,1/2)' (mz|1/2,1/2,1/2)' (mx|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (0,1,0)+ (0,0,1)+ (1,0,0)+ 16h (x,y,z;mx,my,mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,z+1/2;-mx,-my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x,-y,-z;mx,my,mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x,y,-z+1/2;-mx,-my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x,y,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (x,-y,-z;-mx,my,mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (x,-y,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) (-x,y,z;-mx,my,mz) 8g (x,y,1/4;0,0,mz) (-x+1/2,y+1/2,1/4;0,0,-mz) (-x,-y,3/4;0,0,mz) (x+1/2,-y+1/2,-1/4;0,0,-mz) (x+1/2,y+1/2,1/4;0,0,-mz) (-x,y,1/4;0,0,mz) (-x+1/2,-y+1/2,3/4;0,0,-mz) (x,-y,-1/4;0,0,mz) 8f (0,y,z;0,my,mz) (1/2,y+1/2,-z+1/2;0,my,-mz) (0,-y,z+1/2;0,-my,mz) (1/2,-y+1/2,-z;0,-my,-mz) (0,-y,-z;0,my,mz) (1/2,-y+1/2,z+1/2;0,my,-mz) (0,y,-z+1/2;0,-my,mz) (1/2,y+1/2,z;0,-my,-mz) 8e (x,0,0;0,my,mz) (-x+1/2,1/2,1/2;0,my,-mz) (-x,0,1/2;0,-my,mz) (x+1/2,1/2,0;0,-my,-mz) (-x,0,0;0,my,mz) (x+1/2,1/2,1/2;0,my,-mz) (x,0,1/2;0,-my,mz) (-x+1/2,1/2,0;0,-my,-mz) 8d (1/4,1/4,0;0,0,0) (1/4,3/4,1/2;0,0,0) (-1/4,-1/4,1/2;0,0,0) (3/4,1/4,0;0,0,0) (-1/4,-1/4,0;0,0,0) (3/4,1/4,1/2;0,0,0) (1/4,1/4,1/2;0,0,0) (1/4,3/4,0;0,0,0) 4c (0,y,1/4;0,0,mz) (1/2,y+1/2,1/4;0,0,-mz) (0,-y,3/4;0,0,mz) (1/2,-y+1/2,-1/4;0,0,-mz) 4b (0,1/2,0;0,my,mz) (1/2,1,1/2;0,my,-mz) (0,-1/2,1/2;0,-my,mz) (1/2,0,0;0,-my,-mz) 4a (0,0,0;0,my,mz) (1/2,1/2,1/2;0,my,-mz) (0,0,1/2;0,-my,mz) (1/2,1/2,0;0,-my,-mz) ---------- UNI: 62.455 Pnma.1'_C[Ccmb] BNS: 62.455 P_Cnma OG: 64.12.539 C_Pmc'a OG-BNS transformation: (1/4,1/4,0;b,-a,c) Operators (BNS): (1|0,0,0) (2x|1/2,1/2,1/2) (2y|0,1/2,0) (2z|1/2,0,1/2) (-1|0,0,0) (mx|1/2,1/2,1/2) (my|0,1/2,0) (mz|1/2,0,1/2) (1|1/2,1/2,0)' (2x|0,0,1/2)' (2y|1/2,0,0)' (2z|0,1/2,1/2)' (-1|1/2,1/2,0)' (mx|0,0,1/2)' (my|1/2,0,0)' (mz|0,1/2,1/2)' Wyckoff positions (BNS): 16g (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z+1/2;mx,-my,-mz) (-x,y+1/2,-z;-mx,my,-mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x,-y+1/2,z;-mx,my,-mz) (x+1/2,y,-z+1/2;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x+1/2,y,-z;mx,-my,mz) (-x,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (-x,y,z+1/2;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) (x,y+1/2,-z+1/2;mx,my,-mz) 8f (x,1/4,z;0,my,0) (x+1/2,1/4,-z+1/2;0,-my,0) (-x,3/4,-z;0,my,0) (-x+1/2,3/4,z+1/2;0,-my,0) (x+1/2,3/4,z;0,-my,0) (x,3/4,-z+1/2;0,my,0) (-x+1/2,1/4,-z;0,-my,0) (-x,1/4,z+1/2;0,my,0) 8e (x,0,1/4;0,my,mz) (x+1/2,1/2,1/4;0,-my,-mz) (-x,1/2,3/4;0,my,-mz) (-x+1/2,0,3/4;0,-my,mz) (-x,0,3/4;0,my,mz) (-x+1/2,1/2,3/4;0,-my,-mz) (x,1/2,1/4;0,my,-mz) (x+1/2,0,1/4;0,-my,mz) 8d (3/4,y,0;mx,0,mz) (1/4,-y+1/2,1/2;mx,0,-mz) (1/4,y+1/2,0;-mx,0,-mz) (3/4,-y,1/2;-mx,0,mz) (1/4,-y,0;mx,0,mz) (3/4,y+1/2,1/2;mx,0,-mz) (3/4,-y+1/2,0;-mx,0,-mz) (1/4,y,1/2;-mx,0,mz) 8c (0,0,0;mx,my,mz) (1/2,1/2,1/2;mx,-my,-mz) (0,1/2,0;-mx,my,-mz) (1/2,0,1/2;-mx,-my,mz) (1/2,1/2,0;-mx,-my,-mz) (0,0,1/2;-mx,my,mz) (1/2,0,0;mx,-my,mz) (0,1/2,1/2;mx,my,-mz) 4b (3/4,3/4,0;0,0,0) (1/4,3/4,1/2;0,0,0) (1/4,1/4,0;0,0,0) (3/4,1/4,1/2;0,0,0) 4a (3/4,1/4,0;0,0,0) (1/4,1/4,1/2;0,0,0) (1/4,3/4,0;0,0,0) (3/4,3/4,1/2;0,0,0) Operators (OG): (1|0,0,0) (2y|1,1/2,1/2) (2x|1/2,1/2,0) (2z|1/2,0,1/2) (-1|1/2,1/2,0) (my|1/2,0,1/2) (mx|0,0,0) (mz|1,1/2,1/2) (1|1/2,1/2,0)' (2y|1/2,0,1/2)' (2x|0,0,0)' (2z|1,1/2,1/2)' (-1|0,0,0)' (my|1,1/2,1/2)' (mx|1/2,1/2,0)' (mz|1/2,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (0,1,0)+ (-1,0,0)+ (0,0,1)+ 16g (x,y,z;mx,my,mz) (-x+1,y+1/2,-z+1/2;-mx,my,-mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x+1/2,-y+1/2,-z;mx,my,mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (-x,y,z;mx,-my,-mz) (x+1,y+1/2,-z+1/2;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (x,-y,-z;-mx,my,mz) (-x+1,-y+1/2,z+1/2;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (x+1,-y+1/2,z+1/2;mx,-my,mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1/2,y,-z+1/2;mx,my,-mz) 8f (0,y,z;mx,0,0) (1,y+1/2,-z+1/2;-mx,0,0) (1/2,-y+1/2,-z;mx,0,0) (1/2,-y,z+1/2;-mx,0,0) (1/2,y+1/2,z;-mx,0,0) (1/2,y,-z+1/2;mx,0,0) (0,-y,-z;-mx,0,0) (1,-y+1/2,z+1/2;mx,0,0) 8e (1/4,y,1/4;mx,0,mz) (3/4,y+1/2,1/4;-mx,0,-mz) (3/4,-y+1/2,-1/4;mx,0,-mz) (1/4,-y,3/4;-mx,0,mz) (1/4,-y+1/2,-1/4;mx,0,mz) (3/4,-y,3/4;-mx,0,-mz) (-1/4,y,1/4;mx,0,-mz) (5/4,y+1/2,1/4;-mx,0,mz) 8d (x,0,0;0,my,mz) (-x+1,1/2,1/2;0,my,-mz) (x+1/2,1/2,0;0,-my,-mz) (-x+1/2,0,1/2;0,-my,mz) (-x+1/2,1/2,0;0,my,mz) (x+1/2,0,1/2;0,my,-mz) (-x,0,0;0,-my,-mz) (x+1,1/2,1/2;0,-my,mz) 8c (1/4,1/4,0;mx,my,mz) (3/4,3/4,1/2;-mx,my,-mz) (3/4,1/4,0;mx,-my,-mz) (1/4,-1/4,1/2;-mx,-my,mz) (3/4,3/4,0;-mx,-my,-mz) (1/4,1/4,1/2;mx,-my,mz) (1/4,-1/4,0;-mx,my,mz) (3/4,1/4,1/2;mx,my,-mz) 4b (1/2,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) (1,1/2,0;0,0,0) (0,0,1/2;0,0,0) 4a (0,0,0;0,0,0) (1,1/2,1/2;0,0,0) (1/2,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) ---------- UNI: 62.456 Pnma.1'_I[Imma] BNS: 62.456 P_Inma OG: 74.11.660 I_Pm'ma' OG-BNS transformation: (0,0,0;a,b,c) Operators (BNS): (1|0,0,0) (2x|1/2,1/2,1/2) (2y|0,1/2,0) (2z|1/2,0,1/2) (-1|0,0,0) (mx|1/2,1/2,1/2) (my|0,1/2,0) (mz|1/2,0,1/2) (1|1/2,1/2,1/2)' (2x|0,0,0)' (2y|1/2,0,1/2)' (2z|0,1/2,0)' (-1|1/2,1/2,1/2)' (mx|0,0,0)' (my|1/2,0,1/2)' (mz|0,1/2,0)' Wyckoff positions (BNS): 16j (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z+1/2;mx,-my,-mz) (-x,y+1/2,-z;-mx,my,-mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x,-y+1/2,z;-mx,my,-mz) (x+1/2,y,-z+1/2;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x,-y,-z;-mx,my,mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x,-y+1/2,z;mx,my,-mz) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) (x,y+1/2,-z;mx,my,-mz) 8i (x,1/4,z;0,my,0) (x+1/2,1/4,-z+1/2;0,-my,0) (-x,3/4,-z;0,my,0) (-x+1/2,3/4,z+1/2;0,-my,0) (x+1/2,3/4,z+1/2;0,-my,0) (x,3/4,-z;0,my,0) (-x+1/2,1/4,-z+1/2;0,-my,0) (-x,1/4,z;0,my,0) 8h (0,y,z;0,my,mz) (1/2,-y+1/2,-z+1/2;0,-my,-mz) (0,y+1/2,-z;0,my,-mz) (1/2,-y,z+1/2;0,-my,mz) (0,-y,-z;0,my,mz) (1/2,y+1/2,z+1/2;0,-my,-mz) (0,-y+1/2,z;0,my,-mz) (1/2,y,-z+1/2;0,-my,mz) 8g (1/4,y,1/4;mx,0,mz) (3/4,-y+1/2,1/4;mx,0,-mz) (3/4,y+1/2,3/4;-mx,0,-mz) (1/4,-y,3/4;-mx,0,mz) (3/4,-y,3/4;mx,0,mz) (1/4,y+1/2,3/4;mx,0,-mz) (1/4,-y+1/2,1/4;-mx,0,-mz) (3/4,y,1/4;-mx,0,mz) 8f (x,0,0;0,my,mz) (x+1/2,1/2,1/2;0,-my,-mz) (-x,1/2,0;0,my,-mz) (-x+1/2,0,1/2;0,-my,mz) (-x,0,0;0,my,mz) (-x+1/2,1/2,1/2;0,-my,-mz) (x,1/2,0;0,my,-mz) (x+1/2,0,1/2;0,-my,mz) 4e (0,1/4,z;0,my,0) (1/2,1/4,-z+1/2;0,-my,0) (0,3/4,-z;0,my,0) (1/2,3/4,z+1/2;0,-my,0) 4d (1/4,1/4,3/4;0,0,0) (3/4,1/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) (1/4,3/4,1/4;0,0,0) 4c (1/4,1/4,1/4;0,0,0) (3/4,1/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) (1/4,3/4,3/4;0,0,0) 4b (0,0,1/2;0,my,mz) (1/2,1/2,0;0,-my,-mz) (0,1/2,1/2;0,my,-mz) (1/2,0,0;0,-my,mz) 4a (0,0,0;0,my,mz) (1/2,1/2,1/2;0,-my,-mz) (0,1/2,0;0,my,-mz) (1/2,0,1/2;0,-my,mz) Operators (OG): (1|0,0,0) (2x|1/2,1/2,1/2) (2y|0,1/2,0) (2z|1/2,1,1/2) (-1|0,0,0) (mx|1/2,1/2,1/2) (my|0,1/2,0) (mz|1/2,1,1/2) (1|1/2,1/2,1/2)' (2x|0,0,0)' (2y|1/2,1,1/2)' (2z|0,1/2,0)' (-1|1/2,1/2,1/2)' (mx|0,0,0)' (my|1/2,1,1/2)' (mz|0,1/2,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16j (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z+1/2;mx,-my,-mz) (-x,y+1/2,-z;-mx,my,-mz) (-x+1/2,-y+1,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x,-y+1/2,z;-mx,my,-mz) (x+1/2,y+1,-z+1/2;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x,-y,-z;-mx,my,mz) (-x+1/2,y+1,-z+1/2;mx,-my,mz) (-x,-y+1/2,z;mx,my,-mz) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x+1/2,-y+1,z+1/2;mx,-my,mz) (x,y+1/2,-z;mx,my,-mz) 8i (x,1/4,z;0,my,0) (x+1/2,1/4,-z+1/2;0,-my,0) (-x,3/4,-z;0,my,0) (-x+1/2,3/4,z+1/2;0,-my,0) (x+1/2,3/4,z+1/2;0,-my,0) (x,-1/4,-z;0,my,0) (-x+1/2,5/4,-z+1/2;0,-my,0) (-x,1/4,z;0,my,0) 8h (0,y,z;0,my,mz) (1/2,-y+1/2,-z+1/2;0,-my,-mz) (0,y+1/2,-z;0,my,-mz) (1/2,-y+1,z+1/2;0,-my,mz) (0,-y,-z;0,my,mz) (1/2,y+1/2,z+1/2;0,-my,-mz) (0,-y+1/2,z;0,my,-mz) (1/2,y+1,-z+1/2;0,-my,mz) 8g (1/4,y,1/4;mx,0,mz) (3/4,-y+1/2,1/4;mx,0,-mz) (-1/4,y+1/2,-1/4;-mx,0,-mz) (1/4,-y+1,3/4;-mx,0,mz) (-1/4,-y,-1/4;mx,0,mz) (1/4,y+1/2,3/4;mx,0,-mz) (1/4,-y+1/2,1/4;-mx,0,-mz) (3/4,y+1,1/4;-mx,0,mz) 8f (x,0,0;0,my,mz) (x+1/2,1/2,1/2;0,-my,-mz) (-x,1/2,0;0,my,-mz) (-x+1/2,1,1/2;0,-my,mz) (-x,0,0;0,my,mz) (-x+1/2,1/2,1/2;0,-my,-mz) (x,1/2,0;0,my,-mz) (x+1/2,1,1/2;0,-my,mz) 4e (0,1/4,z;0,my,0) (1/2,1/4,-z+1/2;0,-my,0) (0,3/4,-z;0,my,0) (1/2,3/4,z+1/2;0,-my,0) 4d (1/4,1/4,3/4;0,0,0) (3/4,1/4,-1/4;0,0,0) (-1/4,3/4,-3/4;0,0,0) (1/4,3/4,5/4;0,0,0) 4c (1/4,1/4,1/4;0,0,0) (3/4,1/4,1/4;0,0,0) (-1/4,3/4,-1/4;0,0,0) (1/4,3/4,3/4;0,0,0) 4b (0,0,1/2;0,my,mz) (1/2,1/2,0;0,-my,-mz) (0,1/2,-1/2;0,my,-mz) (1/2,1,1;0,-my,mz) 4a (0,0,0;0,my,mz) (1/2,1/2,1/2;0,-my,-mz) (0,1/2,0;0,my,-mz) (1/2,1,1/2;0,-my,mz) ---------- UNI: 63.457 Cmcm.1 BNS: 63.457 Cmcm OG: 63.1.511 Cmcm Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,1/2) (2z|0,0,1/2) (-1|0,0,0) (mx|0,0,0) (my|0,0,1/2) (mz|0,0,1/2) Wyckoff positions: (0,0,0)+ (1/2,1/2,0)+ 16h (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,-z+1/2;-mx,-my,mz) 8g (x,y,1/4;0,0,mz) (x,-y,3/4;0,0,-mz) (-x,y,1/4;0,0,-mz) (-x,-y,3/4;0,0,mz) 8f (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (0,y,-z+1/2;-mx,0,0) (0,-y,z+1/2;-mx,0,0) 8e (x,0,0;mx,0,0) (-x,0,1/2;-mx,0,0) (-x,0,0;mx,0,0) (x,0,1/2;-mx,0,0) 8d (1/4,1/4,0;mx,my,mz) (1/4,3/4,0;mx,-my,-mz) (3/4,1/4,1/2;-mx,my,-mz) (3/4,3/4,1/2;-mx,-my,mz) 4c (0,y,1/4;0,0,0) (0,-y,3/4;0,0,0) 4b (0,1/2,0;mx,0,0) (0,1/2,1/2;-mx,0,0) 4a (0,0,0;mx,0,0) (0,0,1/2;-mx,0,0) ---------- UNI: 63.458 Cmcm.1' BNS: 63.458 Cmcm1' OG: 63.2.512 Cmcm1' Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,1/2) (2z|0,0,1/2) (-1|0,0,0) (mx|0,0,0) (my|0,0,1/2) (mz|0,0,1/2) (1|0,0,0)' (2x|0,0,0)' (2y|0,0,1/2)' (2z|0,0,1/2)' (-1|0,0,0)' (mx|0,0,0)' (my|0,0,1/2)' (mz|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1/2,1/2,0)+ 16h (x,y,z;0,0,0) (x,-y,-z;0,0,0) (-x,y,-z+1/2;0,0,0) (-x,-y,z+1/2;0,0,0) (-x,-y,-z;0,0,0) (-x,y,z;0,0,0) (x,-y,z+1/2;0,0,0) (x,y,-z+1/2;0,0,0) 8g (x,y,1/4;0,0,0) (x,-y,3/4;0,0,0) (-x,y,1/4;0,0,0) (-x,-y,3/4;0,0,0) 8f (0,y,z;0,0,0) (0,-y,-z;0,0,0) (0,y,-z+1/2;0,0,0) (0,-y,z+1/2;0,0,0) 8e (x,0,0;0,0,0) (-x,0,1/2;0,0,0) (-x,0,0;0,0,0) (x,0,1/2;0,0,0) 8d (1/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) (3/4,1/4,1/2;0,0,0) (3/4,3/4,1/2;0,0,0) 4c (0,y,1/4;0,0,0) (0,-y,3/4;0,0,0) 4b (0,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) 4a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- UNI: 63.459 Cm'cm BNS: 63.459 Cm'cm OG: 63.3.513 Cm'cm Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,1/2)' (2z|0,0,1/2)' (-1|0,0,0)' (mx|0,0,0)' (my|0,0,1/2) (mz|0,0,1/2) Wyckoff positions: (0,0,0)+ (1/2,1/2,0)+ 16h (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,z+1/2;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,-z+1/2;-mx,-my,mz) 8g (x,y,1/4;0,0,mz) (x,-y,3/4;0,0,-mz) (-x,y,1/4;0,0,mz) (-x,-y,3/4;0,0,-mz) 8f (0,y,z;0,my,mz) (0,-y,-z;0,-my,-mz) (0,y,-z+1/2;0,-my,mz) (0,-y,z+1/2;0,my,-mz) 8e (x,0,0;mx,0,0) (-x,0,1/2;mx,0,0) (-x,0,0;-mx,0,0) (x,0,1/2;-mx,0,0) 8d (1/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) (1/4,3/4,1/2;0,0,0) (1/4,1/4,1/2;0,0,0) 4c (0,y,1/4;0,0,mz) (0,-y,3/4;0,0,-mz) 4b (0,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) 4a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- UNI: 63.460 Cmc'm BNS: 63.460 Cmc'm OG: 63.4.514 Cmc'm Operators: (1|0,0,0) (2x|0,0,0)' (2y|0,0,1/2) (2z|0,0,1/2)' (-1|0,0,0)' (mx|0,0,0) (my|0,0,1/2)' (mz|0,0,1/2) Wyckoff positions: (0,0,0)+ (1/2,1/2,0)+ 16h (x,y,z;mx,my,mz) (x,-y,-z;-mx,my,mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z+1/2;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z;mx,-my,-mz) (x,-y,z+1/2;mx,-my,mz) (x,y,-z+1/2;-mx,-my,mz) 8g (x,y,1/4;0,0,mz) (x,-y,3/4;0,0,mz) (-x,y,1/4;0,0,-mz) (-x,-y,3/4;0,0,-mz) 8f (0,y,z;mx,0,0) (0,-y,-z;-mx,0,0) (0,y,-z+1/2;-mx,0,0) (0,-y,z+1/2;mx,0,0) 8e (x,0,0;0,my,mz) (-x,0,1/2;0,my,-mz) (-x,0,0;0,-my,-mz) (x,0,1/2;0,-my,mz) 8d (1/4,1/4,0;0,0,0) (3/4,1/4,0;0,0,0) (3/4,1/4,1/2;0,0,0) (1/4,1/4,1/2;0,0,0) 4c (0,y,1/4;0,0,0) (0,-y,3/4;0,0,0) 4b (0,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) 4a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- UNI: 63.461 Cmcm' BNS: 63.461 Cmcm' OG: 63.5.515 Cmcm' Operators: (1|0,0,0) (2x|0,0,0)' (2y|0,0,1/2)' (2z|0,0,1/2) (-1|0,0,0)' (mx|0,0,0) (my|0,0,1/2) (mz|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1/2,1/2,0)+ 16h (x,y,z;mx,my,mz) (x,-y,-z;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,-z+1/2;mx,my,-mz) 8g (x,y,1/4;mx,my,0) (x,-y,3/4;-mx,my,0) (-x,y,1/4;mx,-my,0) (-x,-y,3/4;-mx,-my,0) 8f (0,y,z;mx,0,0) (0,-y,-z;-mx,0,0) (0,y,-z+1/2;mx,0,0) (0,-y,z+1/2;-mx,0,0) 8e (x,0,0;0,my,mz) (-x,0,1/2;0,-my,mz) (-x,0,0;0,-my,-mz) (x,0,1/2;0,my,-mz) 8d (1/4,1/4,0;0,0,0) (3/4,1/4,0;0,0,0) (1/4,3/4,1/2;0,0,0) (3/4,3/4,1/2;0,0,0) 4c (0,y,1/4;mx,0,0) (0,-y,3/4;-mx,0,0) 4b (0,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) 4a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- UNI: 63.462 Cm'c'm BNS: 63.462 Cm'c'm OG: 63.6.516 Cm'c'm Operators: (1|0,0,0) (2x|0,0,0)' (2y|0,0,1/2)' (2z|0,0,1/2) (-1|0,0,0) (mx|0,0,0)' (my|0,0,1/2)' (mz|0,0,1/2) Wyckoff positions: (0,0,0)+ (1/2,1/2,0)+ 16h (x,y,z;mx,my,mz) (x,-y,-z;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (x,y,-z+1/2;-mx,-my,mz) 8g (x,y,1/4;0,0,mz) (x,-y,3/4;0,0,mz) (-x,y,1/4;0,0,mz) (-x,-y,3/4;0,0,mz) 8f (0,y,z;0,my,mz) (0,-y,-z;0,my,mz) (0,y,-z+1/2;0,-my,mz) (0,-y,z+1/2;0,-my,mz) 8e (x,0,0;0,my,mz) (-x,0,1/2;0,-my,mz) (-x,0,0;0,my,mz) (x,0,1/2;0,-my,mz) 8d (1/4,1/4,0;mx,my,mz) (1/4,3/4,0;-mx,my,mz) (3/4,1/4,1/2;mx,-my,mz) (3/4,3/4,1/2;-mx,-my,mz) 4c (0,y,1/4;0,0,mz) (0,-y,3/4;0,0,mz) 4b (0,1/2,0;0,my,mz) (0,1/2,1/2;0,-my,mz) 4a (0,0,0;0,my,mz) (0,0,1/2;0,-my,mz) ---------- UNI: 63.463 Cmc'm' BNS: 63.463 Cmc'm' OG: 63.7.517 Cmc'm' Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,1/2)' (2z|0,0,1/2)' (-1|0,0,0) (mx|0,0,0) (my|0,0,1/2)' (mz|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1/2,1/2,0)+ 16h (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,z+1/2;mx,my,-mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z+1/2;mx,-my,mz) (x,y,-z+1/2;mx,my,-mz) 8g (x,y,1/4;mx,my,0) (x,-y,3/4;mx,-my,0) (-x,y,1/4;mx,-my,0) (-x,-y,3/4;mx,my,0) 8f (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (0,y,-z+1/2;mx,0,0) (0,-y,z+1/2;mx,0,0) 8e (x,0,0;mx,0,0) (-x,0,1/2;mx,0,0) (-x,0,0;mx,0,0) (x,0,1/2;mx,0,0) 8d (1/4,1/4,0;mx,my,mz) (1/4,3/4,0;mx,-my,-mz) (3/4,1/4,1/2;mx,-my,mz) (3/4,3/4,1/2;mx,my,-mz) 4c (0,y,1/4;mx,0,0) (0,-y,3/4;mx,0,0) 4b (0,1/2,0;mx,0,0) (0,1/2,1/2;mx,0,0) 4a (0,0,0;mx,0,0) (0,0,1/2;mx,0,0) ---------- UNI: 63.464 Cm'cm' BNS: 63.464 Cm'cm' OG: 63.8.518 Cm'cm' Operators: (1|0,0,0) (2x|0,0,0)' (2y|0,0,1/2) (2z|0,0,1/2)' (-1|0,0,0) (mx|0,0,0)' (my|0,0,1/2) (mz|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1/2,1/2,0)+ 16h (x,y,z;mx,my,mz) (x,-y,-z;-mx,my,mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z+1/2;mx,my,-mz) (-x,-y,-z;mx,my,mz) (-x,y,z;-mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,-z+1/2;mx,my,-mz) 8g (x,y,1/4;mx,my,0) (x,-y,3/4;-mx,my,0) (-x,y,1/4;-mx,my,0) (-x,-y,3/4;mx,my,0) 8f (0,y,z;0,my,mz) (0,-y,-z;0,my,mz) (0,y,-z+1/2;0,my,-mz) (0,-y,z+1/2;0,my,-mz) 8e (x,0,0;0,my,mz) (-x,0,1/2;0,my,-mz) (-x,0,0;0,my,mz) (x,0,1/2;0,my,-mz) 8d (1/4,1/4,0;mx,my,mz) (1/4,3/4,0;-mx,my,mz) (3/4,1/4,1/2;-mx,my,-mz) (3/4,3/4,1/2;mx,my,-mz) 4c (0,y,1/4;0,my,0) (0,-y,3/4;0,my,0) 4b (0,1/2,0;0,my,mz) (0,1/2,1/2;0,my,-mz) 4a (0,0,0;0,my,mz) (0,0,1/2;0,my,-mz) ---------- UNI: 63.465 Cm'c'm' BNS: 63.465 Cm'c'm' OG: 63.9.519 Cm'c'm' Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,1/2) (2z|0,0,1/2) (-1|0,0,0)' (mx|0,0,0)' (my|0,0,1/2)' (mz|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1/2,1/2,0)+ 16h (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (x,y,-z+1/2;mx,my,-mz) 8g (x,y,1/4;mx,my,0) (x,-y,3/4;mx,-my,0) (-x,y,1/4;-mx,my,0) (-x,-y,3/4;-mx,-my,0) 8f (0,y,z;0,my,mz) (0,-y,-z;0,-my,-mz) (0,y,-z+1/2;0,my,-mz) (0,-y,z+1/2;0,-my,mz) 8e (x,0,0;mx,0,0) (-x,0,1/2;-mx,0,0) (-x,0,0;-mx,0,0) (x,0,1/2;mx,0,0) 8d (1/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) (3/4,1/4,1/2;0,0,0) (3/4,3/4,1/2;0,0,0) 4c (0,y,1/4;0,my,0) (0,-y,3/4;0,-my,0) 4b (0,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) 4a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- UNI: 63.466 Cmcm.1'_c[Cmmm] BNS: 63.466 C_cmcm OG: 65.12.556 C_2cmm'm' OG-BNS transformation: (0,0,0;a,b,2c) Operators (BNS): (1|0,0,0) (2x|0,0,0) (2y|0,0,1/2) (2z|0,0,1/2) (-1|0,0,0) (mx|0,0,0) (my|0,0,1/2) (mz|0,0,1/2) (1|0,0,1/2)' (2x|0,0,1/2)' (2y|0,0,0)' (2z|0,0,0)' (-1|0,0,1/2)' (mx|0,0,1/2)' (my|0,0,0)' (mz|0,0,0)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,0)+ 32r (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,-z+1/2;-mx,-my,mz) (x,y,z+1/2;-mx,-my,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z;mx,my,-mz) (-x,-y,-z+1/2;-mx,-my,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z;mx,-my,mz) (x,y,-z;mx,my,-mz) 16q (x,y,1/4;0,0,mz) (x,-y,3/4;0,0,-mz) (-x,y,1/4;0,0,-mz) (-x,-y,3/4;0,0,mz) (x,y,3/4;0,0,-mz) (x,-y,1/4;0,0,mz) (-x,y,3/4;0,0,mz) (-x,-y,1/4;0,0,-mz) 16p (x,y,0;mx,my,0) (x,-y,0;mx,-my,0) (-x,y,1/2;-mx,my,0) (-x,-y,1/2;-mx,-my,0) (-x,-y,0;mx,my,0) (-x,y,0;mx,-my,0) (x,-y,1/2;-mx,my,0) (x,y,1/2;-mx,-my,0) 16o (x,0,z;mx,0,mz) (x,0,-z;mx,0,-mz) (-x,0,-z+1/2;-mx,0,-mz) (-x,0,z+1/2;-mx,0,mz) (-x,0,-z;mx,0,mz) (-x,0,z;mx,0,-mz) (x,0,z+1/2;-mx,0,-mz) (x,0,-z+1/2;-mx,0,mz) 16n (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (0,y,-z+1/2;-mx,0,0) (0,-y,z+1/2;-mx,0,0) (0,y,z+1/2;-mx,0,0) (0,-y,-z+1/2;-mx,0,0) (0,y,-z;mx,0,0) (0,-y,z;mx,0,0) 16m (1/4,1/4,z;mx,my,0) (1/4,3/4,-z;mx,-my,0) (3/4,1/4,-z+1/2;-mx,my,0) (3/4,3/4,z+1/2;-mx,-my,0) (3/4,3/4,-z;mx,my,0) (3/4,1/4,z;mx,-my,0) (1/4,3/4,z+1/2;-mx,my,0) (1/4,1/4,-z+1/2;-mx,-my,0) 8l (0,1/2,z;mx,0,0) (0,1/2,-z;mx,0,0) (0,1/2,-z+1/2;-mx,0,0) (0,1/2,z+1/2;-mx,0,0) 8k (0,0,z;mx,0,0) (0,0,-z;mx,0,0) (0,0,-z+1/2;-mx,0,0) (0,0,z+1/2;-mx,0,0) 8j (0,y,1/4;0,0,0) (0,-y,3/4;0,0,0) (0,y,3/4;0,0,0) (0,-y,1/4;0,0,0) 8i (0,y,0;mx,0,0) (0,-y,0;mx,0,0) (0,y,1/2;-mx,0,0) (0,-y,1/2;-mx,0,0) 8h (x,0,1/4;0,0,mz) (x,0,3/4;0,0,-mz) (-x,0,1/4;0,0,-mz) (-x,0,3/4;0,0,mz) 8g (x,0,0;mx,0,0) (-x,0,1/2;-mx,0,0) (-x,0,0;mx,0,0) (x,0,1/2;-mx,0,0) 8f (1/4,1/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) (3/4,1/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) 8e (1/4,1/4,0;mx,my,0) (1/4,3/4,0;mx,-my,0) (3/4,1/4,1/2;-mx,my,0) (3/4,3/4,1/2;-mx,-my,0) 4d (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 4c (1/2,0,1/4;0,0,0) (1/2,0,3/4;0,0,0) 4b (1/2,0,0;mx,0,0) (1/2,0,1/2;-mx,0,0) 4a (0,0,0;mx,0,0) (0,0,1/2;-mx,0,0) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|0,0,1) (2z|0,0,1) (-1|0,0,0) (mx|0,0,0) (my|0,0,1) (mz|0,0,1) (1|0,0,1)' (2x|0,0,1)' (2y|0,0,0)' (2z|0,0,0)' (-1|0,0,1)' (mx|0,0,1)' (my|0,0,0)' (mz|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ (1/2,1/2,0)+ 32r (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z+1;-mx,my,-mz) (-x,-y,z+1;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z+1;-mx,my,-mz) (x,y,-z+1;-mx,-my,mz) (x,y,z+1;-mx,-my,-mz) (x,-y,-z+1;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z;mx,my,-mz) (-x,-y,-z+1;-mx,-my,-mz) (-x,y,z+1;-mx,my,mz) (x,-y,z;mx,-my,mz) (x,y,-z;mx,my,-mz) 16q (x,y,1/2;0,0,mz) (x,-y,-1/2;0,0,-mz) (-x,y,1/2;0,0,-mz) (-x,-y,3/2;0,0,mz) (x,y,3/2;0,0,-mz) (x,-y,1/2;0,0,mz) (-x,y,-1/2;0,0,mz) (-x,-y,1/2;0,0,-mz) 16p (x,y,0;mx,my,0) (x,-y,0;mx,-my,0) (-x,y,1;-mx,my,0) (-x,-y,1;-mx,-my,0) (-x,-y,0;mx,my,0) (-x,y,0;mx,-my,0) (x,-y,1;-mx,my,0) (x,y,1;-mx,-my,0) 16o (x,0,z;mx,0,mz) (x,0,-z;mx,0,-mz) (-x,0,-z+1;-mx,0,-mz) (-x,0,z+1;-mx,0,mz) (-x,0,-z;mx,0,mz) (-x,0,z;mx,0,-mz) (x,0,z+1;-mx,0,-mz) (x,0,-z+1;-mx,0,mz) 16n (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (0,y,-z+1;-mx,0,0) (0,-y,z+1;-mx,0,0) (0,y,z+1;-mx,0,0) (0,-y,-z+1;-mx,0,0) (0,y,-z;mx,0,0) (0,-y,z;mx,0,0) 16m (1/4,1/4,z;mx,my,0) (1/4,-1/4,-z;mx,-my,0) (-1/4,1/4,-z+1;-mx,my,0) (-1/4,-1/4,z+1;-mx,-my,0) (-1/4,-1/4,-z;mx,my,0) (-1/4,1/4,z;mx,-my,0) (1/4,-1/4,z+1;-mx,my,0) (1/4,1/4,-z+1;-mx,-my,0) 8l (0,1/2,z;mx,0,0) (0,-1/2,-z;mx,0,0) (0,1/2,-z+1;-mx,0,0) (0,-1/2,z+1;-mx,0,0) 8k (0,0,z;mx,0,0) (0,0,-z;mx,0,0) (0,0,-z+1;-mx,0,0) (0,0,z+1;-mx,0,0) 8j (0,y,1/2;0,0,0) (0,-y,-1/2;0,0,0) (0,y,3/2;0,0,0) (0,-y,1/2;0,0,0) 8i (0,y,0;mx,0,0) (0,-y,0;mx,0,0) (0,y,1;-mx,0,0) (0,-y,1;-mx,0,0) 8h (x,0,1/2;0,0,mz) (x,0,-1/2;0,0,-mz) (-x,0,1/2;0,0,-mz) (-x,0,3/2;0,0,mz) 8g (x,0,0;mx,0,0) (-x,0,1;-mx,0,0) (-x,0,0;mx,0,0) (x,0,1;-mx,0,0) 8f (1/4,1/4,1/2;0,0,0) (1/4,-1/4,-1/2;0,0,0) (-1/4,1/4,1/2;0,0,0) (-1/4,-1/4,3/2;0,0,0) 8e (1/4,1/4,0;mx,my,0) (1/4,-1/4,0;mx,-my,0) (-1/4,1/4,1;-mx,my,0) (-1/4,-1/4,1;-mx,-my,0) 4d (0,0,1/2;0,0,0) (0,0,-1/2;0,0,0) 4c (1/2,0,1/2;0,0,0) (1/2,0,-1/2;0,0,0) 4b (1/2,0,0;mx,0,0) (-1/2,0,1;-mx,0,0) 4a (0,0,0;mx,0,0) (0,0,1;-mx,0,0) ---------- UNI: 63.467 Cmcm.1'_a[Pmcm] BNS: 63.467 C_amcm OG: 51.12.398 P_Amma OG-BNS transformation: (0,0,0;2b,2c,a) Operators (BNS): (1|0,0,0) (2x|0,0,0) (2y|0,0,1/2) (2z|0,0,1/2) (-1|0,0,0) (mx|0,0,0) (my|0,0,1/2) (mz|0,0,1/2) (1|1/2,0,0)' (2x|1/2,0,0)' (2y|1/2,0,1/2)' (2z|1/2,0,1/2)' (-1|1/2,0,0)' (mx|1/2,0,0)' (my|1/2,0,1/2)' (mz|1/2,0,1/2)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,0)+ 32l (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,-z+1/2;-mx,-my,mz) (x+1/2,y,z;-mx,-my,-mz) (x+1/2,-y,-z;-mx,my,mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x+1/2,-y,-z;-mx,-my,-mz) (-x+1/2,y,z;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) (x+1/2,y,-z+1/2;mx,my,-mz) 16k (x,y,1/4;0,0,mz) (x,-y,3/4;0,0,-mz) (-x,y,1/4;0,0,-mz) (-x,-y,3/4;0,0,mz) (x+1/2,y,1/4;0,0,-mz) (x+1/2,-y,3/4;0,0,mz) (-x+1/2,y,1/4;0,0,mz) (-x+1/2,-y,3/4;0,0,-mz) 16j (1/4,y,z;0,my,mz) (1/4,-y,-z;0,-my,-mz) (3/4,y,-z+1/2;0,my,-mz) (3/4,-y,z+1/2;0,-my,mz) (3/4,-y,-z;0,my,mz) (3/4,y,z;0,-my,-mz) (1/4,-y,z+1/2;0,my,-mz) (1/4,y,-z+1/2;0,-my,mz) 16i (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (0,y,-z+1/2;-mx,0,0) (0,-y,z+1/2;-mx,0,0) (1/2,y,z;-mx,0,0) (1/2,-y,-z;-mx,0,0) (1/2,y,-z+1/2;mx,0,0) (1/2,-y,z+1/2;mx,0,0) 16h (x,1/4,0;0,my,mz) (x,3/4,0;0,-my,-mz) (-x,1/4,1/2;0,my,-mz) (-x,3/4,1/2;0,-my,mz) (-x,3/4,0;0,my,mz) (-x,1/4,0;0,-my,-mz) (x,3/4,1/2;0,my,-mz) (x,1/4,1/2;0,-my,mz) 16g (x,0,0;mx,0,0) (-x,0,1/2;-mx,0,0) (-x,0,0;mx,0,0) (x,0,1/2;-mx,0,0) (x+1/2,0,0;-mx,0,0) (-x+1/2,0,1/2;mx,0,0) (-x+1/2,0,0;-mx,0,0) (x+1/2,0,1/2;mx,0,0) 8f (1/4,y,1/4;0,0,mz) (1/4,-y,3/4;0,0,-mz) (3/4,y,1/4;0,0,-mz) (3/4,-y,3/4;0,0,mz) 8e (0,y,1/4;0,0,0) (0,-y,3/4;0,0,0) (1/2,y,1/4;0,0,0) (1/2,-y,3/4;0,0,0) 8d (1/4,1/4,0;0,my,mz) (1/4,3/4,0;0,-my,-mz) (3/4,1/4,1/2;0,my,-mz) (3/4,3/4,1/2;0,-my,mz) 8c (0,1/4,0;0,0,0) (0,3/4,0;0,0,0) (0,1/4,1/2;0,0,0) (0,3/4,1/2;0,0,0) 8b (1/4,0,0;0,0,0) (3/4,0,1/2;0,0,0) (3/4,0,0;0,0,0) (1/4,0,1/2;0,0,0) 8a (0,0,0;mx,0,0) (0,0,1/2;-mx,0,0) (1/2,0,0;-mx,0,0) (1/2,0,1/2;mx,0,0) Operators (OG): (1|0,0,0) (2y|0,0,0) (2z|1/2,0,0) (2x|1/2,0,0) (-1|0,0,0) (my|0,0,0) (mz|1/2,0,0) (mx|1/2,0,0) (1|0,1,0)' (2y|0,1,0)' (2z|1/2,1,0)' (2x|1/2,1,0)' (-1|0,1,0)' (my|0,1,0)' (mz|1/2,1,0)' (mx|1/2,1,0)' Wyckoff positions (OG): (0,0,0)+ (0,2,0)+ (0,0,2)+ (1,0,0)+ (0,1,1)+ 32l (x,y,z;mx,my,mz) (-x,y,-z;-mx,my,-mz) (-x+1/2,-y,z;-mx,-my,mz) (x+1/2,-y,-z;mx,-my,-mz) (-x,-y,-z;mx,my,mz) (x,-y,z;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) (-x+1/2,y,z;mx,-my,-mz) (x,y+1,z;-mx,-my,-mz) (-x,y+1,-z;mx,-my,mz) (-x+1/2,-y+1,z;mx,my,-mz) (x+1/2,-y+1,-z;-mx,my,mz) (-x,-y+1,-z;-mx,-my,-mz) (x,-y+1,z;mx,-my,mz) (x+1/2,y+1,-z;mx,my,-mz) (-x+1/2,y+1,z;-mx,my,mz) 16k (1/4,y,z;mx,0,0) (-1/4,y,-z;-mx,0,0) (1/4,-y,z;-mx,0,0) (3/4,-y,-z;mx,0,0) (1/4,y+1,z;-mx,0,0) (-1/4,y+1,-z;mx,0,0) (1/4,-y+1,z;mx,0,0) (3/4,-y+1,-z;-mx,0,0) 16j (x,1/2,z;mx,0,mz) (-x,1/2,-z;-mx,0,-mz) (-x+1/2,-1/2,z;-mx,0,mz) (x+1/2,-1/2,-z;mx,0,-mz) (-x,-1/2,-z;mx,0,mz) (x,-1/2,z;-mx,0,-mz) (x+1/2,1/2,-z;-mx,0,mz) (-x+1/2,1/2,z;mx,0,-mz) 16i (x,0,z;0,my,0) (-x,0,-z;0,my,0) (-x+1/2,0,z;0,-my,0) (x+1/2,0,-z;0,-my,0) (x,1,z;0,-my,0) (-x,1,-z;0,-my,0) (-x+1/2,1,z;0,my,0) (x+1/2,1,-z;0,my,0) 16h (0,y,1/2;mx,0,mz) (0,y,-1/2;-mx,0,-mz) (1/2,-y,1/2;-mx,0,mz) (1/2,-y,-1/2;mx,0,-mz) (0,-y,-1/2;mx,0,mz) (0,-y,1/2;-mx,0,-mz) (1/2,y,-1/2;-mx,0,mz) (1/2,y,1/2;mx,0,-mz) 16g (0,y,0;0,my,0) (1/2,-y,0;0,-my,0) (0,-y,0;0,my,0) (1/2,y,0;0,-my,0) (0,y+1,0;0,-my,0) (1/2,-y+1,0;0,my,0) (0,-y+1,0;0,-my,0) (1/2,y+1,0;0,my,0) 8f (1/4,1/2,z;mx,0,0) (-1/4,1/2,-z;-mx,0,0) (1/4,-1/2,z;-mx,0,0) (3/4,-1/2,-z;mx,0,0) 8e (1/4,0,z;0,0,0) (-1/4,0,-z;0,0,0) (1/4,1,z;0,0,0) (-1/4,1,-z;0,0,0) 8d (0,1/2,1/2;mx,0,mz) (0,1/2,-1/2;-mx,0,-mz) (1/2,-1/2,1/2;-mx,0,mz) (1/2,-1/2,-1/2;mx,0,-mz) 8c (0,0,1/2;0,0,0) (0,0,-1/2;0,0,0) (1/2,0,1/2;0,0,0) (1/2,0,-1/2;0,0,0) 8b (0,1/2,0;0,0,0) (1/2,-1/2,0;0,0,0) (0,-1/2,0;0,0,0) (1/2,1/2,0;0,0,0) 8a (0,0,0;0,my,0) (1/2,0,0;0,-my,0) (0,1,0;0,-my,0) (1/2,1,0;0,my,0) ---------- UNI: 63.468 Cmcm.1'_A[Fmmm] BNS: 63.468 C_Amcm OG: 69.7.611 F_Cm'mm OG-BNS transformation: (1/4,0,1/4;b,-a,c) Operators (BNS): (1|0,0,0) (2x|0,0,0) (2y|0,0,1/2) (2z|0,0,1/2) (-1|0,0,0) (mx|0,0,0) (my|0,0,1/2) (mz|0,0,1/2) (1|0,1/2,1/2)' (2x|1/2,0,1/2)' (2y|1/2,0,0)' (2z|1/2,0,0)' (-1|1/2,0,1/2)' (mx|1/2,0,1/2)' (my|1/2,0,0)' (mz|1/2,0,0)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,0)+ 32p (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,-z+1/2;-mx,-my,mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (x+1/2,-y,-z+1/2;-mx,my,mz) (-x+1/2,y,-z;mx,-my,mz) (-x+1/2,-y,z;mx,my,-mz) (-x+1/2,-y,-z+1/2;-mx,-my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) (x+1/2,y,-z;mx,my,-mz) 16o (x,y,3/4;0,0,mz) (x,-y,1/4;0,0,-mz) (-x,y,3/4;0,0,-mz) (-x,-y,1/4;0,0,mz) (x,y+1/2,1/4;0,0,-mz) (x+1/2,-y,3/4;0,0,mz) (-x+1/2,y,1/4;0,0,mz) (-x+1/2,-y,3/4;0,0,-mz) 16n (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (0,y,-z+1/2;-mx,0,0) (0,-y,z+1/2;-mx,0,0) (0,y+1/2,z+1/2;-mx,0,0) (1/2,-y,-z+1/2;-mx,0,0) (1/2,y,-z;mx,0,0) (1/2,-y,z;mx,0,0) 16m (x,1/4,z;mx,0,mz) (x,3/4,-z;mx,0,-mz) (-x,1/4,-z+1/2;-mx,0,-mz) (-x,3/4,z+1/2;-mx,0,mz) (-x,3/4,-z;mx,0,mz) (-x,1/4,z;mx,0,-mz) (x,3/4,z+1/2;-mx,0,-mz) (x,1/4,-z+1/2;-mx,0,mz) 16l (1/4,y,0;mx,0,mz) (1/4,-y,0;mx,0,-mz) (3/4,y,1/2;-mx,0,-mz) (3/4,-y,1/2;-mx,0,mz) (3/4,-y,0;mx,0,mz) (3/4,y,0;mx,0,-mz) (1/4,-y,1/2;-mx,0,-mz) (1/4,y,1/2;-mx,0,mz) 16k (x,0,0;mx,0,0) (-x,0,1/2;-mx,0,0) (-x,0,0;mx,0,0) (x,0,1/2;-mx,0,0) (x,1/2,1/2;-mx,0,0) (-x+1/2,0,0;mx,0,0) (-x+1/2,0,1/2;-mx,0,0) (x+1/2,0,0;mx,0,0) 16j (1/4,0,z;mx,my,0) (1/4,0,-z;mx,-my,0) (3/4,0,-z+1/2;-mx,my,0) (3/4,0,z+1/2;-mx,-my,0) (3/4,0,-z;mx,my,0) (3/4,0,z;mx,-my,0) (1/4,0,z+1/2;-mx,my,0) (1/4,0,-z+1/2;-mx,-my,0) 8i (0,1/4,z;mx,0,0) (0,3/4,-z;mx,0,0) (0,1/4,-z+1/2;-mx,0,0) (0,3/4,z+1/2;-mx,0,0) 8h (x,1/4,3/4;0,0,mz) (x,3/4,1/4;0,0,-mz) (-x,1/4,3/4;0,0,-mz) (-x,3/4,1/4;0,0,mz) 8g (0,y,3/4;0,0,0) (0,-y,1/4;0,0,0) (0,y+1/2,1/4;0,0,0) (1/2,-y,3/4;0,0,0) 8f (1/4,0,0;mx,0,0) (3/4,0,1/2;-mx,0,0) (3/4,0,0;mx,0,0) (1/4,0,1/2;-mx,0,0) 8e (1/4,0,3/4;0,0,0) (1/4,0,1/4;0,0,0) (3/4,0,3/4;0,0,0) (3/4,0,1/4;0,0,0) 8d (0,0,0;mx,0,0) (0,0,1/2;-mx,0,0) (0,1/2,1/2;-mx,0,0) (1/2,0,0;mx,0,0) 8c (1/4,1/4,0;mx,0,mz) (1/4,3/4,0;mx,0,-mz) (3/4,1/4,1/2;-mx,0,-mz) (3/4,3/4,1/2;-mx,0,mz) 4b (0,1/4,1/4;0,0,0) (0,3/4,3/4;0,0,0) 4a (0,1/4,3/4;0,0,0) (0,3/4,1/4;0,0,0) Operators (OG): (1|0,0,0) (2y|0,1/2,1/2) (2x|0,0,0) (2z|0,1/2,1/2) (-1|0,1/2,1/2) (my|0,0,0) (mx|0,1/2,1/2) (mz|0,0,0) (1|0,1/2,1/2)' (2y|0,0,0)' (2x|0,1/2,1/2)' (2z|0,0,0)' (-1|0,0,0)' (my|0,1/2,1/2)' (mx|0,0,0)' (mz|0,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (0,1,0)+ (-1,0,0)+ (0,0,1)+ (-1/2,1/2,0)+ 32p (x,y,z;mx,my,mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (x,-y,-z;mx,-my,-mz) (-x,-y+1/2,z+1/2;-mx,-my,mz) (-x,-y+1/2,-z+1/2;mx,my,mz) (x,-y,z;-mx,my,-mz) (-x,y+1/2,z+1/2;mx,-my,-mz) (x,y,-z;-mx,-my,mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (-x,y,-z;mx,-my,mz) (x,-y+1/2,-z+1/2;-mx,my,mz) (-x,-y,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (x,-y+1/2,z+1/2;mx,-my,mz) (-x,y,z;-mx,my,mz) (x,y+1/2,-z+1/2;mx,my,-mz) 16o (x,y,0;0,0,mz) (-x,y+1/2,1/2;0,0,-mz) (x,-y,0;0,0,-mz) (-x,-y+1/2,1/2;0,0,mz) (x,y+1/2,1/2;0,0,-mz) (-x,y,0;0,0,mz) (x,-y+1/2,1/2;0,0,mz) (-x,-y,0;0,0,-mz) 16n (x,0,z;0,my,0) (-x,1/2,-z+1/2;0,my,0) (x,0,-z;0,-my,0) (-x,1/2,z+1/2;0,-my,0) (x,1/2,z+1/2;0,-my,0) (-x,0,-z;0,-my,0) (x,1/2,-z+1/2;0,my,0) (-x,0,z;0,my,0) 16m (0,y,z;0,my,mz) (0,y+1/2,-z+1/2;0,my,-mz) (0,-y,-z;0,-my,-mz) (0,-y+1/2,z+1/2;0,-my,mz) (0,-y+1/2,-z+1/2;0,my,mz) (0,-y,z;0,my,-mz) (0,y+1/2,z+1/2;0,-my,-mz) (0,y,-z;0,-my,mz) 16l (x,1/4,1/4;0,my,mz) (-x,3/4,1/4;0,my,-mz) (x,-1/4,-1/4;0,-my,-mz) (-x,1/4,3/4;0,-my,mz) (-x,1/4,1/4;0,my,mz) (x,-1/4,1/4;0,my,-mz) (-x,3/4,3/4;0,-my,-mz) (x,1/4,-1/4;0,-my,mz) 16k (1/4,y,1/4;0,my,0) (1/4,-y,-1/4;0,-my,0) (-1/4,-y+1/2,1/4;0,my,0) (-1/4,y+1/2,3/4;0,-my,0) (1/4,y+1/2,3/4;0,-my,0) (1/4,-y+1/2,1/4;0,my,0) (-1/4,-y,-1/4;0,-my,0) (-1/4,y,1/4;0,my,0) 16j (1/4,1/4,z;mx,my,0) (-1/4,3/4,-z+1/2;-mx,my,0) (1/4,-1/4,-z;mx,-my,0) (-1/4,1/4,z+1/2;-mx,-my,0) (-1/4,1/4,-z+1/2;mx,my,0) (1/4,-1/4,z;-mx,my,0) (-1/4,3/4,z+1/2;mx,-my,0) (1/4,1/4,-z;-mx,-my,0) 8i (0,0,z;0,my,0) (0,1/2,-z+1/2;0,my,0) (0,0,-z;0,-my,0) (0,1/2,z+1/2;0,-my,0) 8h (0,y,0;0,0,mz) (0,y+1/2,1/2;0,0,-mz) (0,-y,0;0,0,-mz) (0,-y+1/2,1/2;0,0,mz) 8g (x,0,0;0,0,0) (-x,1/2,1/2;0,0,0) (x,1/2,1/2;0,0,0) (-x,0,0;0,0,0) 8f (1/4,1/4,1/4;0,my,0) (1/4,-1/4,-1/4;0,-my,0) (-1/4,1/4,1/4;0,my,0) (-1/4,3/4,3/4;0,-my,0) 8e (1/4,1/4,0;0,0,0) (-1/4,3/4,1/2;0,0,0) (1/4,-1/4,0;0,0,0) (-1/4,1/4,1/2;0,0,0) 8d (1/4,0,1/4;0,my,0) (1/4,0,-1/4;0,-my,0) (1/4,1/2,3/4;0,-my,0) (1/4,1/2,1/4;0,my,0) 8c (0,1/4,1/4;0,my,mz) (0,3/4,1/4;0,my,-mz) (0,-1/4,-1/4;0,-my,-mz) (0,1/4,3/4;0,-my,mz) 4b (0,0,1/2;0,0,0) (0,1/2,0;0,0,0) 4a (0,0,0;0,0,0) (0,1/2,1/2;0,0,0) ---------- UNI: 64.469 Cmca.1 BNS: 64.469 Cmca OG: 64.1.528 Cmca Operators: (1|0,0,0) (2x|0,0,0) (2y|1/2,0,1/2) (2z|1/2,0,1/2) (-1|0,0,0) (mx|0,0,0) (my|1/2,0,1/2) (mz|1/2,0,1/2) Wyckoff positions: (0,0,0)+ (1/2,1/2,0)+ 16g (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y,-z+1/2;-mx,-my,mz) 8f (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (1/2,y,-z+1/2;-mx,0,0) (1/2,-y,z+1/2;-mx,0,0) 8e (1/4,y,1/4;0,my,0) (1/4,-y,3/4;0,-my,0) (3/4,-y,3/4;0,my,0) (3/4,y,1/4;0,-my,0) 8d (x,0,0;mx,0,0) (-x+1/2,0,1/2;-mx,0,0) (-x,0,0;mx,0,0) (x+1/2,0,1/2;-mx,0,0) 8c (1/4,1/4,0;mx,my,mz) (1/4,3/4,0;mx,-my,-mz) (1/4,1/4,1/2;-mx,my,-mz) (1/4,3/4,1/2;-mx,-my,mz) 4b (1/2,0,0;mx,0,0) (0,0,1/2;-mx,0,0) 4a (0,0,0;mx,0,0) (1/2,0,1/2;-mx,0,0) ---------- UNI: 64.470 Cmca.1' BNS: 64.470 Cmca1' OG: 64.2.529 Cmca1' Operators: (1|0,0,0) (2x|0,0,0) (2y|1/2,0,1/2) (2z|1/2,0,1/2) (-1|0,0,0) (mx|0,0,0) (my|1/2,0,1/2) (mz|1/2,0,1/2) (1|0,0,0)' (2x|0,0,0)' (2y|1/2,0,1/2)' (2z|1/2,0,1/2)' (-1|0,0,0)' (mx|0,0,0)' (my|1/2,0,1/2)' (mz|1/2,0,1/2)' Wyckoff positions: (0,0,0)+ (1/2,1/2,0)+ 16g (x,y,z;0,0,0) (x,-y,-z;0,0,0) (-x+1/2,y,-z+1/2;0,0,0) (-x+1/2,-y,z+1/2;0,0,0) (-x,-y,-z;0,0,0) (-x,y,z;0,0,0) (x+1/2,-y,z+1/2;0,0,0) (x+1/2,y,-z+1/2;0,0,0) 8f (0,y,z;0,0,0) (0,-y,-z;0,0,0) (1/2,y,-z+1/2;0,0,0) (1/2,-y,z+1/2;0,0,0) 8e (1/4,y,1/4;0,0,0) (1/4,-y,3/4;0,0,0) (3/4,-y,3/4;0,0,0) (3/4,y,1/4;0,0,0) 8d (x,0,0;0,0,0) (-x+1/2,0,1/2;0,0,0) (-x,0,0;0,0,0) (x+1/2,0,1/2;0,0,0) 8c (1/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) (1/4,1/4,1/2;0,0,0) (1/4,3/4,1/2;0,0,0) 4b (1/2,0,0;0,0,0) (0,0,1/2;0,0,0) 4a (0,0,0;0,0,0) (1/2,0,1/2;0,0,0) ---------- UNI: 64.471 Cm'ca BNS: 64.471 Cm'ca OG: 64.3.530 Cm'ca Operators: (1|0,0,0) (2x|0,0,0) (2y|1/2,0,1/2)' (2z|1/2,0,1/2)' (-1|0,0,0)' (mx|0,0,0)' (my|1/2,0,1/2) (mz|1/2,0,1/2) Wyckoff positions: (0,0,0)+ (1/2,1/2,0)+ 16g (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y,-z+1/2;-mx,-my,mz) 8f (0,y,z;0,my,mz) (0,-y,-z;0,-my,-mz) (1/2,y,-z+1/2;0,-my,mz) (1/2,-y,z+1/2;0,my,-mz) 8e (1/4,y,1/4;mx,0,mz) (1/4,-y,3/4;mx,0,-mz) (3/4,-y,3/4;-mx,0,-mz) (3/4,y,1/4;-mx,0,mz) 8d (x,0,0;mx,0,0) (-x+1/2,0,1/2;mx,0,0) (-x,0,0;-mx,0,0) (x+1/2,0,1/2;-mx,0,0) 8c (1/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) (3/4,3/4,1/2;0,0,0) (3/4,1/4,1/2;0,0,0) 4b (1/2,0,0;0,0,0) (0,0,1/2;0,0,0) 4a (0,0,0;0,0,0) (1/2,0,1/2;0,0,0) ---------- UNI: 64.472 Cmc'a BNS: 64.472 Cmc'a OG: 64.4.531 Cmc'a Operators: (1|0,0,0) (2x|0,0,0)' (2y|1/2,0,1/2) (2z|1/2,0,1/2)' (-1|0,0,0)' (mx|0,0,0) (my|1/2,0,1/2)' (mz|1/2,0,1/2) Wyckoff positions: (0,0,0)+ (1/2,1/2,0)+ 16g (x,y,z;mx,my,mz) (x,-y,-z;-mx,my,mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z;mx,-my,-mz) (x+1/2,-y,z+1/2;mx,-my,mz) (x+1/2,y,-z+1/2;-mx,-my,mz) 8f (0,y,z;mx,0,0) (0,-y,-z;-mx,0,0) (1/2,y,-z+1/2;-mx,0,0) (1/2,-y,z+1/2;mx,0,0) 8e (1/4,y,1/4;0,my,0) (1/4,-y,3/4;0,my,0) (3/4,-y,3/4;0,-my,0) (3/4,y,1/4;0,-my,0) 8d (x,0,0;0,my,mz) (-x+1/2,0,1/2;0,my,-mz) (-x,0,0;0,-my,-mz) (x+1/2,0,1/2;0,-my,mz) 8c (1/4,1/4,0;0,0,0) (3/4,1/4,0;0,0,0) (1/4,1/4,1/2;0,0,0) (3/4,1/4,1/2;0,0,0) 4b (1/2,0,0;0,0,0) (0,0,1/2;0,0,0) 4a (0,0,0;0,0,0) (1/2,0,1/2;0,0,0) ---------- UNI: 64.473 Cmca' BNS: 64.473 Cmca' OG: 64.5.532 Cmca' Operators: (1|0,0,0) (2x|0,0,0)' (2y|1/2,0,1/2)' (2z|1/2,0,1/2) (-1|0,0,0)' (mx|0,0,0) (my|1/2,0,1/2) (mz|1/2,0,1/2)' Wyckoff positions: (0,0,0)+ (1/2,1/2,0)+ 16g (x,y,z;mx,my,mz) (x,-y,-z;-mx,my,mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y,-z+1/2;mx,my,-mz) 8f (0,y,z;mx,0,0) (0,-y,-z;-mx,0,0) (1/2,y,-z+1/2;mx,0,0) (1/2,-y,z+1/2;-mx,0,0) 8e (1/4,y,1/4;mx,0,mz) (1/4,-y,3/4;-mx,0,mz) (3/4,-y,3/4;-mx,0,-mz) (3/4,y,1/4;mx,0,-mz) 8d (x,0,0;0,my,mz) (-x+1/2,0,1/2;0,-my,mz) (-x,0,0;0,-my,-mz) (x+1/2,0,1/2;0,my,-mz) 8c (1/4,1/4,0;0,0,0) (3/4,1/4,0;0,0,0) (3/4,3/4,1/2;0,0,0) (1/4,3/4,1/2;0,0,0) 4b (1/2,0,0;0,0,0) (0,0,1/2;0,0,0) 4a (0,0,0;0,0,0) (1/2,0,1/2;0,0,0) ---------- UNI: 64.474 Cm'c'a BNS: 64.474 Cm'c'a OG: 64.6.533 Cm'c'a Operators: (1|0,0,0) (2x|0,0,0)' (2y|1/2,0,1/2)' (2z|1/2,0,1/2) (-1|0,0,0) (mx|0,0,0)' (my|1/2,0,1/2)' (mz|1/2,0,1/2) Wyckoff positions: (0,0,0)+ (1/2,1/2,0)+ 16g (x,y,z;mx,my,mz) (x,-y,-z;-mx,my,mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) (x+1/2,y,-z+1/2;-mx,-my,mz) 8f (0,y,z;0,my,mz) (0,-y,-z;0,my,mz) (1/2,y,-z+1/2;0,-my,mz) (1/2,-y,z+1/2;0,-my,mz) 8e (1/4,y,1/4;mx,0,mz) (1/4,-y,3/4;-mx,0,mz) (3/4,-y,3/4;mx,0,mz) (3/4,y,1/4;-mx,0,mz) 8d (x,0,0;0,my,mz) (-x+1/2,0,1/2;0,-my,mz) (-x,0,0;0,my,mz) (x+1/2,0,1/2;0,-my,mz) 8c (1/4,1/4,0;mx,my,mz) (1/4,3/4,0;-mx,my,mz) (1/4,1/4,1/2;mx,-my,mz) (1/4,3/4,1/2;-mx,-my,mz) 4b (1/2,0,0;0,my,mz) (0,0,1/2;0,-my,mz) 4a (0,0,0;0,my,mz) (1/2,0,1/2;0,-my,mz) ---------- UNI: 64.475 Cmc'a' BNS: 64.475 Cmc'a' OG: 64.7.534 Cmc'a' Operators: (1|0,0,0) (2x|0,0,0) (2y|1/2,0,1/2)' (2z|1/2,0,1/2)' (-1|0,0,0) (mx|0,0,0) (my|1/2,0,1/2)' (mz|1/2,0,1/2)' Wyckoff positions: (0,0,0)+ (1/2,1/2,0)+ 16g (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x+1/2,-y,z+1/2;mx,-my,mz) (x+1/2,y,-z+1/2;mx,my,-mz) 8f (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (1/2,y,-z+1/2;mx,0,0) (1/2,-y,z+1/2;mx,0,0) 8e (1/4,y,1/4;mx,0,mz) (1/4,-y,3/4;mx,0,-mz) (3/4,-y,3/4;mx,0,mz) (3/4,y,1/4;mx,0,-mz) 8d (x,0,0;mx,0,0) (-x+1/2,0,1/2;mx,0,0) (-x,0,0;mx,0,0) (x+1/2,0,1/2;mx,0,0) 8c (1/4,1/4,0;mx,my,mz) (1/4,3/4,0;mx,-my,-mz) (1/4,1/4,1/2;mx,-my,mz) (1/4,3/4,1/2;mx,my,-mz) 4b (1/2,0,0;mx,0,0) (0,0,1/2;mx,0,0) 4a (0,0,0;mx,0,0) (1/2,0,1/2;mx,0,0) ---------- UNI: 64.476 Cm'ca' BNS: 64.476 Cm'ca' OG: 64.8.535 Cm'ca' Operators: (1|0,0,0) (2x|0,0,0)' (2y|1/2,0,1/2) (2z|1/2,0,1/2)' (-1|0,0,0) (mx|0,0,0)' (my|1/2,0,1/2) (mz|1/2,0,1/2)' Wyckoff positions: (0,0,0)+ (1/2,1/2,0)+ 16g (x,y,z;mx,my,mz) (x,-y,-z;-mx,my,mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x,-y,-z;mx,my,mz) (-x,y,z;-mx,my,mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y,-z+1/2;mx,my,-mz) 8f (0,y,z;0,my,mz) (0,-y,-z;0,my,mz) (1/2,y,-z+1/2;0,my,-mz) (1/2,-y,z+1/2;0,my,-mz) 8e (1/4,y,1/4;0,my,0) (1/4,-y,3/4;0,my,0) (3/4,-y,3/4;0,my,0) (3/4,y,1/4;0,my,0) 8d (x,0,0;0,my,mz) (-x+1/2,0,1/2;0,my,-mz) (-x,0,0;0,my,mz) (x+1/2,0,1/2;0,my,-mz) 8c (1/4,1/4,0;mx,my,mz) (1/4,3/4,0;-mx,my,mz) (1/4,1/4,1/2;-mx,my,-mz) (1/4,3/4,1/2;mx,my,-mz) 4b (1/2,0,0;0,my,mz) (0,0,1/2;0,my,-mz) 4a (0,0,0;0,my,mz) (1/2,0,1/2;0,my,-mz) ---------- UNI: 64.477 Cm'c'a' BNS: 64.477 Cm'c'a' OG: 64.9.536 Cm'c'a' Operators: (1|0,0,0) (2x|0,0,0) (2y|1/2,0,1/2) (2z|1/2,0,1/2) (-1|0,0,0)' (mx|0,0,0)' (my|1/2,0,1/2)' (mz|1/2,0,1/2)' Wyckoff positions: (0,0,0)+ (1/2,1/2,0)+ 16g (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) (x+1/2,y,-z+1/2;mx,my,-mz) 8f (0,y,z;0,my,mz) (0,-y,-z;0,-my,-mz) (1/2,y,-z+1/2;0,my,-mz) (1/2,-y,z+1/2;0,-my,mz) 8e (1/4,y,1/4;0,my,0) (1/4,-y,3/4;0,-my,0) (3/4,-y,3/4;0,-my,0) (3/4,y,1/4;0,my,0) 8d (x,0,0;mx,0,0) (-x+1/2,0,1/2;-mx,0,0) (-x,0,0;-mx,0,0) (x+1/2,0,1/2;mx,0,0) 8c (1/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) (1/4,1/4,1/2;0,0,0) (1/4,3/4,1/2;0,0,0) 4b (1/2,0,0;0,0,0) (0,0,1/2;0,0,0) 4a (0,0,0;0,0,0) (1/2,0,1/2;0,0,0) ---------- UNI: 64.478 Cmca.1'_c[Cmmb] BNS: 64.478 C_cmca OG: 67.11.587 C_2cm'ma OG-BNS transformation: (1/4,1/4,1/2;b,-a,2c) Operators (BNS): (1|0,0,0) (2x|0,0,0) (2y|1/2,0,1/2) (2z|1/2,0,1/2) (-1|0,0,0) (mx|0,0,0) (my|1/2,0,1/2) (mz|1/2,0,1/2) (1|0,0,1/2)' (2x|0,0,1/2)' (2y|1/2,0,0)' (2z|1/2,0,0)' (-1|0,0,1/2)' (mx|0,0,1/2)' (my|1/2,0,0)' (mz|1/2,0,0)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,0)+ 32o (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y,-z+1/2;-mx,-my,mz) (x,y,z+1/2;-mx,-my,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x+1/2,y,-z;mx,-my,mz) (-x+1/2,-y,z;mx,my,-mz) (-x,-y,-z+1/2;-mx,-my,-mz) (-x,y,z+1/2;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) (x+1/2,y,-z;mx,my,-mz) 16n (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (1/2,y,-z+1/2;-mx,0,0) (1/2,-y,z+1/2;-mx,0,0) (0,y,z+1/2;-mx,0,0) (0,-y,-z+1/2;-mx,0,0) (1/2,y,-z;mx,0,0) (1/2,-y,z;mx,0,0) 16m (x,1/4,z;mx,0,mz) (x,3/4,-z;mx,0,-mz) (-x+1/2,1/4,-z+1/2;-mx,0,-mz) (-x+1/2,3/4,z+1/2;-mx,0,mz) (-x,3/4,-z;mx,0,mz) (-x,1/4,z;mx,0,-mz) (x+1/2,3/4,z+1/2;-mx,0,-mz) (x+1/2,1/4,-z+1/2;-mx,0,mz) 16l (3/4,0,z;mx,my,0) (3/4,0,-z;mx,-my,0) (3/4,0,-z+1/2;-mx,my,0) (3/4,0,z+1/2;-mx,-my,0) (1/4,0,-z;mx,my,0) (1/4,0,z;mx,-my,0) (1/4,0,z+1/2;-mx,my,0) (1/4,0,-z+1/2;-mx,-my,0) 16k (x,0,0;mx,0,0) (-x+1/2,0,1/2;-mx,0,0) (-x,0,0;mx,0,0) (x+1/2,0,1/2;-mx,0,0) (x,0,1/2;-mx,0,0) (-x+1/2,0,0;mx,0,0) (-x,0,1/2;-mx,0,0) (x+1/2,0,0;mx,0,0) 16j (x,0,3/4;0,my,mz) (x,0,1/4;0,-my,-mz) (-x+1/2,0,3/4;0,my,-mz) (-x+1/2,0,1/4;0,-my,mz) (-x,0,1/4;0,my,mz) (-x,0,3/4;0,-my,-mz) (x+1/2,0,1/4;0,my,-mz) (x+1/2,0,3/4;0,-my,mz) 16i (3/4,y,0;mx,0,mz) (3/4,-y,0;mx,0,-mz) (3/4,y,1/2;-mx,0,-mz) (3/4,-y,1/2;-mx,0,mz) (1/4,-y,0;mx,0,mz) (1/4,y,0;mx,0,-mz) (1/4,-y,1/2;-mx,0,-mz) (1/4,y,1/2;-mx,0,mz) 16h (3/4,y,3/4;0,my,0) (3/4,-y,1/4;0,-my,0) (1/4,-y,1/4;0,my,0) (1/4,y,3/4;0,-my,0) (3/4,y,1/4;0,-my,0) (3/4,-y,3/4;0,my,0) (1/4,-y,3/4;0,-my,0) (1/4,y,1/4;0,my,0) 8g (0,1/4,z;mx,0,0) (0,3/4,-z;mx,0,0) (1/2,1/4,-z+1/2;-mx,0,0) (1/2,3/4,z+1/2;-mx,0,0) 8f (0,0,0;mx,0,0) (1/2,0,1/2;-mx,0,0) (0,0,1/2;-mx,0,0) (1/2,0,0;mx,0,0) 8e (0,0,3/4;0,0,0) (0,0,1/4;0,0,0) (1/2,0,3/4;0,0,0) (1/2,0,1/4;0,0,0) 8d (3/4,1/4,0;mx,0,mz) (3/4,3/4,0;mx,0,-mz) (3/4,1/4,1/2;-mx,0,-mz) (3/4,3/4,1/2;-mx,0,mz) 8c (3/4,1/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) (1/4,3/4,1/4;0,0,0) (1/4,1/4,3/4;0,0,0) 8b (3/4,0,0;mx,0,0) (3/4,0,1/2;-mx,0,0) (1/4,0,0;mx,0,0) (1/4,0,1/2;-mx,0,0) 8a (3/4,0,3/4;0,my,0) (3/4,0,1/4;0,-my,0) (1/4,0,1/4;0,my,0) (1/4,0,3/4;0,-my,0) Operators (OG): (1|0,0,0) (2y|1/2,0,1) (2x|0,0,0) (2z|1/2,0,1) (-1|0,0,1) (my|1/2,0,0) (mx|0,0,1) (mz|1/2,0,0) (1|0,0,1)' (2y|1/2,0,0)' (2x|0,0,1)' (2z|1/2,0,0)' (-1|0,0,0)' (my|1/2,0,1)' (mx|0,0,0)' (mz|1/2,0,1)' Wyckoff positions (OG): (0,0,0)+ (0,1,0)+ (-1,0,0)+ (0,0,2)+ (-1/2,1/2,0)+ 32o (x,y,z;mx,my,mz) (-x+1/2,y,-z+1;-mx,my,-mz) (x,-y,-z;mx,-my,-mz) (-x+1/2,-y,z+1;-mx,-my,mz) (-x,-y,-z+1;mx,my,mz) (x+1/2,-y,z;-mx,my,-mz) (-x,y,z+1;mx,-my,-mz) (x+1/2,y,-z;-mx,-my,mz) (x,y,z+1;-mx,-my,-mz) (-x+1/2,y,-z;mx,-my,mz) (x,-y,-z+1;-mx,my,mz) (-x+1/2,-y,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (x+1/2,-y,z+1;mx,-my,mz) (-x,y,z;-mx,my,mz) (x+1/2,y,-z+1;mx,my,-mz) 16n (x,1/4,z;0,my,0) (-x+1/2,1/4,-z+1;0,my,0) (x,-1/4,-z;0,-my,0) (-x+1/2,-1/4,z+1;0,-my,0) (x,1/4,z+1;0,-my,0) (-x+1/2,1/4,-z;0,-my,0) (x,-1/4,-z+1;0,my,0) (-x+1/2,-1/4,z;0,my,0) 16m (0,y,z;0,my,mz) (1/2,y,-z+1;0,my,-mz) (0,-y,-z;0,-my,-mz) (1/2,-y,z+1;0,-my,mz) (0,-y,-z+1;0,my,mz) (1/2,-y,z;0,my,-mz) (0,y,z+1;0,-my,-mz) (1/2,y,-z;0,-my,mz) 16l (1/4,0,z;mx,my,0) (1/4,0,-z+1;-mx,my,0) (1/4,0,-z;mx,-my,0) (1/4,0,z+1;-mx,-my,0) (-1/4,0,-z+1;mx,my,0) (3/4,0,z;-mx,my,0) (-1/4,0,z+1;mx,-my,0) (3/4,0,-z;-mx,-my,0) 16k (1/4,y,1/2;0,my,0) (1/4,-y,-1/2;0,-my,0) (-1/4,-y,1/2;0,my,0) (-1/4,y,3/2;0,-my,0) (1/4,y,3/2;0,-my,0) (1/4,-y,1/2;0,my,0) (-1/4,-y,-1/2;0,-my,0) (-1/4,y,1/2;0,my,0) 16j (1/4,y,0;mx,0,mz) (1/4,y,1;-mx,0,-mz) (1/4,-y,0;mx,0,-mz) (1/4,-y,1;-mx,0,mz) (-1/4,-y,1;mx,0,mz) (3/4,-y,0;-mx,0,-mz) (-1/4,y,1;mx,0,-mz) (3/4,y,0;-mx,0,mz) 16i (x,0,1/2;0,my,mz) (-x+1/2,0,1/2;0,my,-mz) (x,0,-1/2;0,-my,-mz) (-x+1/2,0,3/2;0,-my,mz) (-x,0,1/2;0,my,mz) (x+1/2,0,1/2;0,my,-mz) (-x,0,3/2;0,-my,-mz) (x+1/2,0,-1/2;0,-my,mz) 16h (x,0,0;mx,0,0) (-x+1/2,0,1;-mx,0,0) (-x,0,1;mx,0,0) (x+1/2,0,0;-mx,0,0) (x,0,1;-mx,0,0) (-x+1/2,0,0;mx,0,0) (-x,0,0;-mx,0,0) (x+1/2,0,1;mx,0,0) 8g (0,1/4,z;0,my,0) (1/2,1/4,-z+1;0,my,0) (0,-1/4,-z;0,-my,0) (1/2,-1/4,z+1;0,-my,0) 8f (1/4,1/4,1/2;0,my,0) (1/4,-1/4,-1/2;0,-my,0) (1/4,1/4,3/2;0,-my,0) (1/4,-1/4,1/2;0,my,0) 8e (1/4,1/4,0;0,0,0) (1/4,1/4,1;0,0,0) (1/4,-1/4,0;0,0,0) (1/4,-1/4,1;0,0,0) 8d (0,0,1/2;0,my,mz) (1/2,0,1/2;0,my,-mz) (0,0,-1/2;0,-my,-mz) (1/2,0,3/2;0,-my,mz) 8c (0,0,0;0,0,0) (1/2,0,1;0,0,0) (0,0,1;0,0,0) (1/2,0,0;0,0,0) 8b (1/4,0,1/2;0,my,0) (1/4,0,-1/2;0,-my,0) (-1/4,0,1/2;0,my,0) (-1/4,0,3/2;0,-my,0) 8a (1/4,0,0;mx,0,0) (1/4,0,1;-mx,0,0) (-1/4,0,1;mx,0,0) (3/4,0,0;-mx,0,0) ---------- UNI: 64.479 Cmca.1'_a[Pmcm] BNS: 64.479 C_amca OG: 51.19.405 P_Am'ma OG-BNS transformation: (0,0,1/2;2b,2c,a) Operators (BNS): (1|0,0,0) (2x|0,0,0) (2y|1/2,0,1/2) (2z|1/2,0,1/2) (-1|0,0,0) (mx|0,0,0) (my|1/2,0,1/2) (mz|1/2,0,1/2) (1|1/2,0,0)' (2x|1/2,0,0)' (2y|0,0,1/2)' (2z|0,0,1/2)' (-1|1/2,0,0)' (mx|1/2,0,0)' (my|0,0,1/2)' (mz|0,0,1/2)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,0)+ 32l (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y,-z+1/2;-mx,-my,mz) (x+1/2,y,z;-mx,-my,-mz) (x+1/2,-y,-z;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,z+1/2;mx,my,-mz) (-x+1/2,-y,-z;-mx,-my,-mz) (-x+1/2,y,z;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (x,y,-z+1/2;mx,my,-mz) 16k (x,y,1/4;mx,my,0) (x,-y,3/4;mx,-my,0) (-x+1/2,y,1/4;-mx,my,0) (-x+1/2,-y,3/4;-mx,-my,0) (-x,-y,3/4;mx,my,0) (-x,y,1/4;mx,-my,0) (x+1/2,-y,3/4;-mx,my,0) (x+1/2,y,1/4;-mx,-my,0) 16j (1/4,y,z;0,my,mz) (1/4,-y,-z;0,-my,-mz) (1/4,y,-z+1/2;0,my,-mz) (1/4,-y,z+1/2;0,-my,mz) (3/4,-y,-z;0,my,mz) (3/4,y,z;0,-my,-mz) (3/4,-y,z+1/2;0,my,-mz) (3/4,y,-z+1/2;0,-my,mz) 16i (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (1/2,y,-z+1/2;-mx,0,0) (1/2,-y,z+1/2;-mx,0,0) (1/2,y,z;-mx,0,0) (1/2,-y,-z;-mx,0,0) (0,y,-z+1/2;mx,0,0) (0,-y,z+1/2;mx,0,0) 16h (x,0,0;mx,0,0) (-x+1/2,0,1/2;-mx,0,0) (-x,0,0;mx,0,0) (x+1/2,0,1/2;-mx,0,0) (x+1/2,0,0;-mx,0,0) (-x,0,1/2;mx,0,0) (-x+1/2,0,0;-mx,0,0) (x,0,1/2;mx,0,0) 16g (x,3/4,0;0,my,mz) (x,1/4,0;0,-my,-mz) (-x+1/2,3/4,1/2;0,my,-mz) (-x+1/2,1/4,1/2;0,-my,mz) (-x,1/4,0;0,my,mz) (-x,3/4,0;0,-my,-mz) (x+1/2,1/4,1/2;0,my,-mz) (x+1/2,3/4,1/2;0,-my,mz) 8f (1/4,y,1/4;0,my,0) (1/4,-y,3/4;0,-my,0) (3/4,-y,3/4;0,my,0) (3/4,y,1/4;0,-my,0) 8e (0,y,1/4;mx,0,0) (0,-y,3/4;mx,0,0) (1/2,y,1/4;-mx,0,0) (1/2,-y,3/4;-mx,0,0) 8d (1/4,0,0;0,0,0) (1/4,0,1/2;0,0,0) (3/4,0,0;0,0,0) (3/4,0,1/2;0,0,0) 8c (0,0,0;mx,0,0) (1/2,0,1/2;-mx,0,0) (1/2,0,0;-mx,0,0) (0,0,1/2;mx,0,0) 8b (1/4,3/4,0;0,my,mz) (1/4,1/4,0;0,-my,-mz) (1/4,3/4,1/2;0,my,-mz) (1/4,1/4,1/2;0,-my,mz) 8a (0,3/4,0;0,0,0) (0,1/4,0;0,0,0) (1/2,3/4,1/2;0,0,0) (1/2,1/4,1/2;0,0,0) Operators (OG): (1|0,0,0) (2y|0,1,0) (2z|1/2,1,0) (2x|1/2,0,0) (-1|0,1,0) (my|0,0,0) (mz|1/2,0,0) (mx|1/2,1,0) (1|0,1,0)' (2y|0,0,0)' (2z|1/2,0,0)' (2x|1/2,1,0)' (-1|0,0,0)' (my|0,1,0)' (mz|1/2,1,0)' (mx|1/2,0,0)' Wyckoff positions (OG): (0,0,0)+ (0,2,0)+ (0,0,2)+ (1,0,0)+ (0,1,1)+ 32l (x,y,z;mx,my,mz) (-x,y+1,-z;-mx,my,-mz) (-x+1/2,-y+1,z;-mx,-my,mz) (x+1/2,-y,-z;mx,-my,-mz) (-x,-y+1,-z;mx,my,mz) (x,-y,z;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) (-x+1/2,y+1,z;mx,-my,-mz) (x,y+1,z;-mx,-my,-mz) (-x,y,-z;mx,-my,mz) (-x+1/2,-y,z;mx,my,-mz) (x+1/2,-y+1,-z;-mx,my,mz) (-x,-y,-z;-mx,-my,-mz) (x,-y+1,z;mx,-my,mz) (x+1/2,y+1,-z;mx,my,-mz) (-x+1/2,y,z;-mx,my,mz) 16k (1/4,y,z;0,my,mz) (-1/4,y+1,-z;0,my,-mz) (1/4,-y+1,z;0,-my,mz) (3/4,-y,-z;0,-my,-mz) (-1/4,-y+1,-z;0,my,mz) (1/4,-y,z;0,my,-mz) (3/4,y,-z;0,-my,mz) (1/4,y+1,z;0,-my,-mz) 16j (x,1/2,z;mx,0,mz) (-x,3/2,-z;-mx,0,-mz) (-x+1/2,1/2,z;-mx,0,mz) (x+1/2,-1/2,-z;mx,0,-mz) (-x,1/2,-z;mx,0,mz) (x,-1/2,z;-mx,0,-mz) (x+1/2,1/2,-z;-mx,0,mz) (-x+1/2,3/2,z;mx,0,-mz) 16i (x,0,z;0,my,0) (-x,1,-z;0,my,0) (-x+1/2,1,z;0,-my,0) (x+1/2,0,-z;0,-my,0) (x,1,z;0,-my,0) (-x,0,-z;0,-my,0) (-x+1/2,0,z;0,my,0) (x+1/2,1,-z;0,my,0) 16h (0,y,1/2;0,my,0) (1/2,-y+1,1/2;0,-my,0) (0,-y+1,-1/2;0,my,0) (1/2,y,-1/2;0,-my,0) (0,y+1,1/2;0,-my,0) (1/2,-y,1/2;0,my,0) (0,-y,-1/2;0,-my,0) (1/2,y+1,-1/2;0,my,0) 16g (0,y,0;mx,0,mz) (0,y+1,0;-mx,0,-mz) (1/2,-y+1,0;-mx,0,mz) (1/2,-y,0;mx,0,-mz) (0,-y+1,0;mx,0,mz) (0,-y,0;-mx,0,-mz) (1/2,y,0;-mx,0,mz) (1/2,y+1,0;mx,0,-mz) 8f (1/4,1/2,z;0,0,mz) (-1/4,3/2,-z;0,0,-mz) (-1/4,1/2,-z;0,0,mz) (1/4,-1/2,z;0,0,-mz) 8e (1/4,0,z;0,my,0) (-1/4,1,-z;0,my,0) (1/4,1,z;0,-my,0) (3/4,0,-z;0,-my,0) 8d (0,1/2,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) (0,1/2,-1/2;0,0,0) (1/2,1/2,-1/2;0,0,0) 8c (0,0,1/2;0,my,0) (1/2,1,1/2;0,-my,0) (0,1,1/2;0,-my,0) (1/2,0,1/2;0,my,0) 8b (0,1/2,0;mx,0,mz) (0,3/2,0;-mx,0,-mz) (1/2,1/2,0;-mx,0,mz) (1/2,-1/2,0;mx,0,-mz) 8a (0,0,0;0,0,0) (0,1,0;0,0,0) (1/2,1,0;0,0,0) (1/2,0,0;0,0,0) ---------- UNI: 64.480 Cmca.1'_A[Fmmm] BNS: 64.480 C_Amca OG: 69.10.614 F_Cmm'm' OG-BNS transformation: (0,0,0;a,b,c) Operators (BNS): (1|0,0,0) (2x|0,0,0) (2y|1/2,0,1/2) (2z|1/2,0,1/2) (-1|0,0,0) (mx|0,0,0) (my|1/2,0,1/2) (mz|1/2,0,1/2) (1|0,1/2,1/2)' (2x|1/2,0,1/2)' (2y|0,0,0)' (2z|0,0,0)' (-1|1/2,0,1/2)' (mx|1/2,0,1/2)' (my|0,0,0)' (mz|0,0,0)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,0)+ 32p (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y,-z+1/2;-mx,-my,mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (x+1/2,-y,-z+1/2;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z;mx,my,-mz) (-x+1/2,-y,-z+1/2;-mx,-my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x,-y,z;mx,-my,mz) (x,y,-z;mx,my,-mz) 16o (x,y,0;mx,my,0) (x,-y,0;mx,-my,0) (-x+1/2,y,1/2;-mx,my,0) (-x+1/2,-y,1/2;-mx,-my,0) (-x,-y,0;mx,my,0) (-x,y,0;mx,-my,0) (x+1/2,-y,1/2;-mx,my,0) (x+1/2,y,1/2;-mx,-my,0) 16n (x,0,z;mx,0,mz) (x,0,-z;mx,0,-mz) (-x+1/2,0,-z+1/2;-mx,0,-mz) (-x+1/2,0,z+1/2;-mx,0,mz) (-x,0,-z;mx,0,mz) (-x,0,z;mx,0,-mz) (x+1/2,0,z+1/2;-mx,0,-mz) (x+1/2,0,-z+1/2;-mx,0,mz) 16m (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (1/2,y,-z+1/2;-mx,0,0) (1/2,-y,z+1/2;-mx,0,0) (0,y+1/2,z+1/2;-mx,0,0) (1/2,-y,-z+1/2;-mx,0,0) (0,y,-z;mx,0,0) (0,-y,z;mx,0,0) 16l (x,1/4,1/4;0,my,mz) (x,3/4,3/4;0,-my,-mz) (-x+1/2,1/4,1/4;0,my,-mz) (-x+1/2,3/4,3/4;0,-my,mz) (-x,3/4,3/4;0,my,mz) (-x,1/4,1/4;0,-my,-mz) (x+1/2,3/4,3/4;0,my,-mz) (x+1/2,1/4,1/4;0,-my,mz) 16k (1/4,y,1/4;0,my,0) (1/4,-y,3/4;0,-my,0) (3/4,-y,3/4;0,my,0) (3/4,y,1/4;0,-my,0) (1/4,y+1/2,3/4;0,-my,0) (3/4,-y,1/4;0,my,0) (1/4,-y,1/4;0,-my,0) (1/4,y,3/4;0,my,0) 16j (1/4,1/4,z;mx,my,0) (1/4,3/4,-z;mx,-my,0) (1/4,1/4,-z+1/2;-mx,my,0) (1/4,3/4,z+1/2;-mx,-my,0) (3/4,3/4,-z;mx,my,0) (3/4,1/4,z;mx,-my,0) (3/4,3/4,z+1/2;-mx,my,0) (3/4,1/4,-z+1/2;-mx,-my,0) 8i (0,0,z;mx,0,0) (0,0,-z;mx,0,0) (1/2,0,-z+1/2;-mx,0,0) (1/2,0,z+1/2;-mx,0,0) 8h (0,y,0;mx,0,0) (0,-y,0;mx,0,0) (1/2,y,1/2;-mx,0,0) (1/2,-y,1/2;-mx,0,0) 8g (x,0,0;mx,0,0) (-x+1/2,0,1/2;-mx,0,0) (-x,0,0;mx,0,0) (x+1/2,0,1/2;-mx,0,0) 8f (1/4,1/4,1/4;0,my,0) (1/4,3/4,3/4;0,-my,0) (3/4,3/4,3/4;0,my,0) (3/4,1/4,1/4;0,-my,0) 8e (1/4,1/4,0;mx,my,0) (1/4,3/4,0;mx,-my,0) (1/4,1/4,1/2;-mx,my,0) (1/4,3/4,1/2;-mx,-my,0) 8d (1/4,0,1/4;0,0,0) (1/4,0,3/4;0,0,0) (3/4,0,3/4;0,0,0) (3/4,0,1/4;0,0,0) 8c (0,1/4,1/4;0,0,0) (0,3/4,3/4;0,0,0) (1/2,1/4,1/4;0,0,0) (1/2,3/4,3/4;0,0,0) 4b (0,0,1/2;mx,0,0) (1/2,0,0;-mx,0,0) 4a (0,0,0;mx,0,0) (1/2,0,1/2;-mx,0,0) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|1/2,0,1/2) (2z|1/2,0,1/2) (-1|0,0,0) (mx|0,0,0) (my|1/2,0,1/2) (mz|1/2,0,1/2) (1|1/2,0,1/2)' (2x|1/2,0,1/2)' (2y|0,0,0)' (2z|0,0,0)' (-1|1/2,0,1/2)' (mx|1/2,0,1/2)' (my|0,0,0)' (mz|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,0)+ 32p (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y,-z+1/2;-mx,-my,mz) (x+1/2,y,z+1/2;-mx,-my,-mz) (x+1/2,-y,-z+1/2;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z;mx,my,-mz) (-x+1/2,-y,-z+1/2;-mx,-my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x,-y,z;mx,-my,mz) (x,y,-z;mx,my,-mz) 16o (x,y,0;mx,my,0) (x,-y,0;mx,-my,0) (-x+1/2,y,1/2;-mx,my,0) (-x+1/2,-y,1/2;-mx,-my,0) (-x,-y,0;mx,my,0) (-x,y,0;mx,-my,0) (x+1/2,-y,1/2;-mx,my,0) (x+1/2,y,1/2;-mx,-my,0) 16n (x,0,z;mx,0,mz) (x,0,-z;mx,0,-mz) (-x+1/2,0,-z+1/2;-mx,0,-mz) (-x+1/2,0,z+1/2;-mx,0,mz) (-x,0,-z;mx,0,mz) (-x,0,z;mx,0,-mz) (x+1/2,0,z+1/2;-mx,0,-mz) (x+1/2,0,-z+1/2;-mx,0,mz) 16m (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (1/2,y,-z+1/2;-mx,0,0) (1/2,-y,z+1/2;-mx,0,0) (1/2,y,z+1/2;-mx,0,0) (1/2,-y,-z+1/2;-mx,0,0) (0,y,-z;mx,0,0) (0,-y,z;mx,0,0) 16l (x,1/4,1/4;0,my,mz) (x,-1/4,-1/4;0,-my,-mz) (-x+1/2,1/4,1/4;0,my,-mz) (-x+1/2,-1/4,3/4;0,-my,mz) (-x,-1/4,-1/4;0,my,mz) (-x,1/4,1/4;0,-my,-mz) (x+1/2,-1/4,3/4;0,my,-mz) (x+1/2,1/4,1/4;0,-my,mz) 16k (1/4,y,1/4;0,my,0) (1/4,-y,-1/4;0,-my,0) (-1/4,-y,-1/4;0,my,0) (-1/4,y,1/4;0,-my,0) (3/4,y,3/4;0,-my,0) (3/4,-y,1/4;0,my,0) (1/4,-y,1/4;0,-my,0) (1/4,y,3/4;0,my,0) 16j (1/4,1/4,z;mx,my,0) (1/4,-1/4,-z;mx,-my,0) (1/4,1/4,-z+1/2;-mx,my,0) (1/4,-1/4,z+1/2;-mx,-my,0) (-1/4,-1/4,-z;mx,my,0) (-1/4,1/4,z;mx,-my,0) (3/4,-1/4,z+1/2;-mx,my,0) (3/4,1/4,-z+1/2;-mx,-my,0) 8i (0,0,z;mx,0,0) (0,0,-z;mx,0,0) (1/2,0,-z+1/2;-mx,0,0) (1/2,0,z+1/2;-mx,0,0) 8h (0,y,0;mx,0,0) (0,-y,0;mx,0,0) (1/2,y,1/2;-mx,0,0) (1/2,-y,1/2;-mx,0,0) 8g (x,0,0;mx,0,0) (-x+1/2,0,1/2;-mx,0,0) (-x,0,0;mx,0,0) (x+1/2,0,1/2;-mx,0,0) 8f (1/4,1/4,1/4;0,my,0) (1/4,-1/4,-1/4;0,-my,0) (-1/4,-1/4,-1/4;0,my,0) (-1/4,1/4,1/4;0,-my,0) 8e (1/4,1/4,0;mx,my,0) (1/4,-1/4,0;mx,-my,0) (1/4,1/4,1/2;-mx,my,0) (1/4,-1/4,1/2;-mx,-my,0) 8d (1/4,0,1/4;0,0,0) (1/4,0,-1/4;0,0,0) (-1/4,0,-1/4;0,0,0) (-1/4,0,1/4;0,0,0) 8c (0,1/4,1/4;0,0,0) (0,-1/4,-1/4;0,0,0) (1/2,1/4,1/4;0,0,0) (1/2,-1/4,3/4;0,0,0) 4b (0,0,1/2;mx,0,0) (1/2,0,0;-mx,0,0) 4a (0,0,0;mx,0,0) (1/2,0,1/2;-mx,0,0) ---------- UNI: 65.481 Cmmm.1 BNS: 65.481 Cmmm OG: 65.1.545 Cmmm Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (-1|0,0,0) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) Wyckoff positions: (0,0,0)+ (1/2,1/2,0)+ 16r (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) 8q (x,y,1/2;0,0,mz) (x,-y,1/2;0,0,-mz) (-x,y,1/2;0,0,-mz) (-x,-y,1/2;0,0,mz) 8p (x,y,0;0,0,mz) (x,-y,0;0,0,-mz) (-x,y,0;0,0,-mz) (-x,-y,0;0,0,mz) 8o (x,0,z;0,my,0) (x,0,-z;0,-my,0) (-x,0,-z;0,my,0) (-x,0,z;0,-my,0) 8n (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (0,y,-z;-mx,0,0) (0,-y,z;-mx,0,0) 8m (1/4,1/4,z;0,0,mz) (1/4,3/4,-z;0,0,-mz) (3/4,3/4,-z;0,0,mz) (3/4,1/4,z;0,0,-mz) 4l (0,1/2,z;0,0,0) (0,1/2,-z;0,0,0) 4k (0,0,z;0,0,0) (0,0,-z;0,0,0) 4j (0,y,1/2;0,0,0) (0,-y,1/2;0,0,0) 4i (0,y,0;0,0,0) (0,-y,0;0,0,0) 4h (x,0,1/2;0,0,0) (-x,0,1/2;0,0,0) 4g (x,0,0;0,0,0) (-x,0,0;0,0,0) 4f (1/4,1/4,1/2;0,0,mz) (1/4,3/4,1/2;0,0,-mz) 4e (1/4,1/4,0;0,0,mz) (1/4,3/4,0;0,0,-mz) 2d (0,0,1/2;0,0,0) 2c (1/2,0,1/2;0,0,0) 2b (1/2,0,0;0,0,0) 2a (0,0,0;0,0,0) ---------- UNI: 65.482 Cmmm.1' BNS: 65.482 Cmmm1' OG: 65.2.546 Cmmm1' Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (-1|0,0,0) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (1|0,0,0)' (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,0)' (-1|0,0,0)' (mx|0,0,0)' (my|0,0,0)' (mz|0,0,0)' Wyckoff positions: (0,0,0)+ (1/2,1/2,0)+ 16r (x,y,z;0,0,0) (x,-y,-z;0,0,0) (-x,y,-z;0,0,0) (-x,-y,z;0,0,0) (-x,-y,-z;0,0,0) (-x,y,z;0,0,0) (x,-y,z;0,0,0) (x,y,-z;0,0,0) 8q (x,y,1/2;0,0,0) (x,-y,1/2;0,0,0) (-x,y,1/2;0,0,0) (-x,-y,1/2;0,0,0) 8p (x,y,0;0,0,0) (x,-y,0;0,0,0) (-x,y,0;0,0,0) (-x,-y,0;0,0,0) 8o (x,0,z;0,0,0) (x,0,-z;0,0,0) (-x,0,-z;0,0,0) (-x,0,z;0,0,0) 8n (0,y,z;0,0,0) (0,-y,-z;0,0,0) (0,y,-z;0,0,0) (0,-y,z;0,0,0) 8m (1/4,1/4,z;0,0,0) (1/4,3/4,-z;0,0,0) (3/4,3/4,-z;0,0,0) (3/4,1/4,z;0,0,0) 4l (0,1/2,z;0,0,0) (0,1/2,-z;0,0,0) 4k (0,0,z;0,0,0) (0,0,-z;0,0,0) 4j (0,y,1/2;0,0,0) (0,-y,1/2;0,0,0) 4i (0,y,0;0,0,0) (0,-y,0;0,0,0) 4h (x,0,1/2;0,0,0) (-x,0,1/2;0,0,0) 4g (x,0,0;0,0,0) (-x,0,0;0,0,0) 4f (1/4,1/4,1/2;0,0,0) (1/4,3/4,1/2;0,0,0) 4e (1/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) 2d (0,0,1/2;0,0,0) 2c (1/2,0,1/2;0,0,0) 2b (1/2,0,0;0,0,0) 2a (0,0,0;0,0,0) ---------- UNI: 65.483 Cm'mm BNS: 65.483 Cm'mm OG: 65.3.547 Cm'mm Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,0)' (2z|0,0,0)' (-1|0,0,0)' (mx|0,0,0)' (my|0,0,0) (mz|0,0,0) Wyckoff positions: (0,0,0)+ (1/2,1/2,0)+ 16r (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;mx,-my,mz) (-x,-y,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) 8q (x,y,1/2;0,0,mz) (x,-y,1/2;0,0,-mz) (-x,y,1/2;0,0,mz) (-x,-y,1/2;0,0,-mz) 8p (x,y,0;0,0,mz) (x,-y,0;0,0,-mz) (-x,y,0;0,0,mz) (-x,-y,0;0,0,-mz) 8o (x,0,z;0,my,0) (x,0,-z;0,-my,0) (-x,0,-z;0,-my,0) (-x,0,z;0,my,0) 8n (0,y,z;0,my,mz) (0,-y,-z;0,-my,-mz) (0,y,-z;0,-my,mz) (0,-y,z;0,my,-mz) 8m (1/4,1/4,z;mx,my,0) (1/4,3/4,-z;mx,-my,0) (1/4,1/4,-z;-mx,-my,0) (1/4,3/4,z;-mx,my,0) 4l (0,1/2,z;0,my,0) (0,1/2,-z;0,-my,0) 4k (0,0,z;0,my,0) (0,0,-z;0,-my,0) 4j (0,y,1/2;0,0,mz) (0,-y,1/2;0,0,-mz) 4i (0,y,0;0,0,mz) (0,-y,0;0,0,-mz) 4h (x,0,1/2;0,0,0) (-x,0,1/2;0,0,0) 4g (x,0,0;0,0,0) (-x,0,0;0,0,0) 4f (1/4,1/4,1/2;0,0,0) (1/4,3/4,1/2;0,0,0) 4e (1/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) 2d (0,0,1/2;0,0,0) 2c (1/2,0,1/2;0,0,0) 2b (1/2,0,0;0,0,0) 2a (0,0,0;0,0,0) ---------- UNI: 65.484 Cmmm' BNS: 65.484 Cmmm' OG: 65.4.548 Cmmm' Operators: (1|0,0,0) (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,0) (-1|0,0,0)' (mx|0,0,0) (my|0,0,0) (mz|0,0,0)' Wyckoff positions: (0,0,0)+ (1/2,1/2,0)+ 16r (x,y,z;mx,my,mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;mx,my,-mz) 8q (x,y,1/2;mx,my,0) (x,-y,1/2;-mx,my,0) (-x,y,1/2;mx,-my,0) (-x,-y,1/2;-mx,-my,0) 8p (x,y,0;mx,my,0) (x,-y,0;-mx,my,0) (-x,y,0;mx,-my,0) (-x,-y,0;-mx,-my,0) 8o (x,0,z;0,my,0) (x,0,-z;0,my,0) (-x,0,-z;0,-my,0) (-x,0,z;0,-my,0) 8n (0,y,z;mx,0,0) (0,-y,-z;-mx,0,0) (0,y,-z;mx,0,0) (0,-y,z;-mx,0,0) 8m (1/4,1/4,z;0,0,mz) (1/4,3/4,-z;0,0,mz) (3/4,3/4,-z;0,0,-mz) (3/4,1/4,z;0,0,-mz) 4l (0,1/2,z;0,0,0) (0,1/2,-z;0,0,0) 4k (0,0,z;0,0,0) (0,0,-z;0,0,0) 4j (0,y,1/2;mx,0,0) (0,-y,1/2;-mx,0,0) 4i (0,y,0;mx,0,0) (0,-y,0;-mx,0,0) 4h (x,0,1/2;0,my,0) (-x,0,1/2;0,-my,0) 4g (x,0,0;0,my,0) (-x,0,0;0,-my,0) 4f (1/4,1/4,1/2;0,0,0) (3/4,1/4,1/2;0,0,0) 4e (1/4,1/4,0;0,0,0) (3/4,1/4,0;0,0,0) 2d (0,0,1/2;0,0,0) 2c (1/2,0,1/2;0,0,0) 2b (1/2,0,0;0,0,0) 2a (0,0,0;0,0,0) ---------- UNI: 65.485 Cm'm'm BNS: 65.485 Cm'm'm OG: 65.5.549 Cm'm'm Operators: (1|0,0,0) (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,0) (-1|0,0,0) (mx|0,0,0)' (my|0,0,0)' (mz|0,0,0) Wyckoff positions: (0,0,0)+ (1/2,1/2,0)+ 16r (x,y,z;mx,my,mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x,y,-z;-mx,-my,mz) 8q (x,y,1/2;0,0,mz) (x,-y,1/2;0,0,mz) (-x,y,1/2;0,0,mz) (-x,-y,1/2;0,0,mz) 8p (x,y,0;0,0,mz) (x,-y,0;0,0,mz) (-x,y,0;0,0,mz) (-x,-y,0;0,0,mz) 8o (x,0,z;mx,0,mz) (x,0,-z;-mx,0,mz) (-x,0,-z;mx,0,mz) (-x,0,z;-mx,0,mz) 8n (0,y,z;0,my,mz) (0,-y,-z;0,my,mz) (0,y,-z;0,-my,mz) (0,-y,z;0,-my,mz) 8m (1/4,1/4,z;0,0,mz) (1/4,3/4,-z;0,0,mz) (3/4,3/4,-z;0,0,mz) (3/4,1/4,z;0,0,mz) 4l (0,1/2,z;0,0,mz) (0,1/2,-z;0,0,mz) 4k (0,0,z;0,0,mz) (0,0,-z;0,0,mz) 4j (0,y,1/2;0,0,mz) (0,-y,1/2;0,0,mz) 4i (0,y,0;0,0,mz) (0,-y,0;0,0,mz) 4h (x,0,1/2;0,0,mz) (-x,0,1/2;0,0,mz) 4g (x,0,0;0,0,mz) (-x,0,0;0,0,mz) 4f (1/4,1/4,1/2;0,0,mz) (1/4,3/4,1/2;0,0,mz) 4e (1/4,1/4,0;0,0,mz) (1/4,3/4,0;0,0,mz) 2d (0,0,1/2;0,0,mz) 2c (1/2,0,1/2;0,0,mz) 2b (1/2,0,0;0,0,mz) 2a (0,0,0;0,0,mz) ---------- UNI: 65.486 Cmm'm' BNS: 65.486 Cmm'm' OG: 65.6.550 Cmm'm' Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,0)' (2z|0,0,0)' (-1|0,0,0) (mx|0,0,0) (my|0,0,0)' (mz|0,0,0)' Wyckoff positions: (0,0,0)+ (1/2,1/2,0)+ 16r (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;mx,-my,mz) (-x,-y,z;mx,my,-mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;mx,-my,mz) (x,y,-z;mx,my,-mz) 8q (x,y,1/2;mx,my,0) (x,-y,1/2;mx,-my,0) (-x,y,1/2;mx,-my,0) (-x,-y,1/2;mx,my,0) 8p (x,y,0;mx,my,0) (x,-y,0;mx,-my,0) (-x,y,0;mx,-my,0) (-x,-y,0;mx,my,0) 8o (x,0,z;mx,0,mz) (x,0,-z;mx,0,-mz) (-x,0,-z;mx,0,mz) (-x,0,z;mx,0,-mz) 8n (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (0,y,-z;mx,0,0) (0,-y,z;mx,0,0) 8m (1/4,1/4,z;mx,my,0) (1/4,3/4,-z;mx,-my,0) (3/4,3/4,-z;mx,my,0) (3/4,1/4,z;mx,-my,0) 4l (0,1/2,z;mx,0,0) (0,1/2,-z;mx,0,0) 4k (0,0,z;mx,0,0) (0,0,-z;mx,0,0) 4j (0,y,1/2;mx,0,0) (0,-y,1/2;mx,0,0) 4i (0,y,0;mx,0,0) (0,-y,0;mx,0,0) 4h (x,0,1/2;mx,0,0) (-x,0,1/2;mx,0,0) 4g (x,0,0;mx,0,0) (-x,0,0;mx,0,0) 4f (1/4,1/4,1/2;mx,my,0) (1/4,3/4,1/2;mx,-my,0) 4e (1/4,1/4,0;mx,my,0) (1/4,3/4,0;mx,-my,0) 2d (0,0,1/2;mx,0,0) 2c (1/2,0,1/2;mx,0,0) 2b (1/2,0,0;mx,0,0) 2a (0,0,0;mx,0,0) ---------- UNI: 65.487 Cm'm'm' BNS: 65.487 Cm'm'm' OG: 65.7.551 Cm'm'm' Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (-1|0,0,0)' (mx|0,0,0)' (my|0,0,0)' (mz|0,0,0)' Wyckoff positions: (0,0,0)+ (1/2,1/2,0)+ 16r (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x,y,-z;mx,my,-mz) 8q (x,y,1/2;mx,my,0) (x,-y,1/2;mx,-my,0) (-x,y,1/2;-mx,my,0) (-x,-y,1/2;-mx,-my,0) 8p (x,y,0;mx,my,0) (x,-y,0;mx,-my,0) (-x,y,0;-mx,my,0) (-x,-y,0;-mx,-my,0) 8o (x,0,z;mx,0,mz) (x,0,-z;mx,0,-mz) (-x,0,-z;-mx,0,-mz) (-x,0,z;-mx,0,mz) 8n (0,y,z;0,my,mz) (0,-y,-z;0,-my,-mz) (0,y,-z;0,my,-mz) (0,-y,z;0,-my,mz) 8m (1/4,1/4,z;0,0,mz) (1/4,3/4,-z;0,0,-mz) (3/4,3/4,-z;0,0,-mz) (3/4,1/4,z;0,0,mz) 4l (0,1/2,z;0,0,mz) (0,1/2,-z;0,0,-mz) 4k (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) 4j (0,y,1/2;0,my,0) (0,-y,1/2;0,-my,0) 4i (0,y,0;0,my,0) (0,-y,0;0,-my,0) 4h (x,0,1/2;mx,0,0) (-x,0,1/2;-mx,0,0) 4g (x,0,0;mx,0,0) (-x,0,0;-mx,0,0) 4f (1/4,1/4,1/2;0,0,0) (1/4,3/4,1/2;0,0,0) 4e (1/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) 2d (0,0,1/2;0,0,0) 2c (1/2,0,1/2;0,0,0) 2b (1/2,0,0;0,0,0) 2a (0,0,0;0,0,0) ---------- UNI: 65.488 Cmmm.1'_c[Cmmm] BNS: 65.488 C_cmmm OG: 65.8.552 C_2cmmm OG-BNS transformation: (0,0,0;a,b,2c) Operators (BNS): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (-1|0,0,0) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (1|0,0,1/2)' (2x|0,0,1/2)' (2y|0,0,1/2)' (2z|0,0,1/2)' (-1|0,0,1/2)' (mx|0,0,1/2)' (my|0,0,1/2)' (mz|0,0,1/2)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,0)+ 32r (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x,y,z+1/2;-mx,-my,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,z+1/2;mx,my,-mz) (-x,-y,-z+1/2;-mx,-my,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (x,y,-z+1/2;mx,my,-mz) 16q (x,y,1/4;mx,my,0) (x,-y,3/4;mx,-my,0) (-x,y,3/4;-mx,my,0) (-x,-y,1/4;-mx,-my,0) (-x,-y,3/4;mx,my,0) (-x,y,1/4;mx,-my,0) (x,-y,1/4;-mx,my,0) (x,y,3/4;-mx,-my,0) 16p (x,y,0;0,0,mz) (x,-y,0;0,0,-mz) (-x,y,0;0,0,-mz) (-x,-y,0;0,0,mz) (x,y,1/2;0,0,-mz) (x,-y,1/2;0,0,mz) (-x,y,1/2;0,0,mz) (-x,-y,1/2;0,0,-mz) 16o (x,0,z;0,my,0) (x,0,-z;0,-my,0) (-x,0,-z;0,my,0) (-x,0,z;0,-my,0) (x,0,z+1/2;0,-my,0) (x,0,-z+1/2;0,my,0) (-x,0,-z+1/2;0,-my,0) (-x,0,z+1/2;0,my,0) 16n (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (0,y,-z;-mx,0,0) (0,-y,z;-mx,0,0) (0,y,z+1/2;-mx,0,0) (0,-y,-z+1/2;-mx,0,0) (0,y,-z+1/2;mx,0,0) (0,-y,z+1/2;mx,0,0) 16m (1/4,1/4,z;0,0,mz) (1/4,3/4,-z;0,0,-mz) (3/4,3/4,-z;0,0,mz) (3/4,1/4,z;0,0,-mz) (1/4,1/4,z+1/2;0,0,-mz) (1/4,3/4,-z+1/2;0,0,mz) (3/4,3/4,-z+1/2;0,0,-mz) (3/4,1/4,z+1/2;0,0,mz) 8l (0,1/2,z;0,0,0) (0,1/2,-z;0,0,0) (0,1/2,z+1/2;0,0,0) (0,1/2,-z+1/2;0,0,0) 8k (0,0,z;0,0,0) (0,0,-z;0,0,0) (0,0,z+1/2;0,0,0) (0,0,-z+1/2;0,0,0) 8j (0,y,1/4;mx,0,0) (0,-y,3/4;mx,0,0) (0,y,3/4;-mx,0,0) (0,-y,1/4;-mx,0,0) 8i (0,y,0;0,0,0) (0,-y,0;0,0,0) (0,y,1/2;0,0,0) (0,-y,1/2;0,0,0) 8h (x,0,1/4;0,my,0) (x,0,3/4;0,-my,0) (-x,0,3/4;0,my,0) (-x,0,1/4;0,-my,0) 8g (x,0,0;0,0,0) (-x,0,0;0,0,0) (x,0,1/2;0,0,0) (-x,0,1/2;0,0,0) 8f (1/4,1/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) (3/4,3/4,3/4;0,0,0) (3/4,1/4,1/4;0,0,0) 8e (1/4,1/4,0;0,0,mz) (1/4,3/4,0;0,0,-mz) (1/4,1/4,1/2;0,0,-mz) (1/4,3/4,1/2;0,0,mz) 4d (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 4c (1/2,0,1/4;0,0,0) (1/2,0,3/4;0,0,0) 4b (1/2,0,0;0,0,0) (1/2,0,1/2;0,0,0) 4a (0,0,0;0,0,0) (0,0,1/2;0,0,0) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (-1|0,0,0) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (1|0,0,1)' (2x|0,0,1)' (2y|0,0,1)' (2z|0,0,1)' (-1|0,0,1)' (mx|0,0,1)' (my|0,0,1)' (mz|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ (1/2,1/2,0)+ 32r (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x,y,z+1;-mx,-my,-mz) (x,-y,-z+1;-mx,my,mz) (-x,y,-z+1;mx,-my,mz) (-x,-y,z+1;mx,my,-mz) (-x,-y,-z+1;-mx,-my,-mz) (-x,y,z+1;-mx,my,mz) (x,-y,z+1;mx,-my,mz) (x,y,-z+1;mx,my,-mz) 16q (x,y,1/2;mx,my,0) (x,-y,-1/2;mx,-my,0) (-x,y,-1/2;-mx,my,0) (-x,-y,1/2;-mx,-my,0) (-x,-y,-1/2;mx,my,0) (-x,y,1/2;mx,-my,0) (x,-y,1/2;-mx,my,0) (x,y,-1/2;-mx,-my,0) 16p (x,y,0;0,0,mz) (x,-y,0;0,0,-mz) (-x,y,0;0,0,-mz) (-x,-y,0;0,0,mz) (x,y,1;0,0,-mz) (x,-y,1;0,0,mz) (-x,y,1;0,0,mz) (-x,-y,1;0,0,-mz) 16o (x,0,z;0,my,0) (x,0,-z;0,-my,0) (-x,0,-z;0,my,0) (-x,0,z;0,-my,0) (x,0,z+1;0,-my,0) (x,0,-z+1;0,my,0) (-x,0,-z+1;0,-my,0) (-x,0,z+1;0,my,0) 16n (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (0,y,-z;-mx,0,0) (0,-y,z;-mx,0,0) (0,y,z+1;-mx,0,0) (0,-y,-z+1;-mx,0,0) (0,y,-z+1;mx,0,0) (0,-y,z+1;mx,0,0) 16m (1/4,1/4,z;0,0,mz) (1/4,-1/4,-z;0,0,-mz) (-1/4,-1/4,-z;0,0,mz) (-1/4,1/4,z;0,0,-mz) (1/4,1/4,z+1;0,0,-mz) (1/4,-1/4,-z+1;0,0,mz) (-1/4,-1/4,-z+1;0,0,-mz) (-1/4,1/4,z+1;0,0,mz) 8l (0,1/2,z;0,0,0) (0,-1/2,-z;0,0,0) (0,1/2,z+1;0,0,0) (0,-1/2,-z+1;0,0,0) 8k (0,0,z;0,0,0) (0,0,-z;0,0,0) (0,0,z+1;0,0,0) (0,0,-z+1;0,0,0) 8j (0,y,1/2;mx,0,0) (0,-y,-1/2;mx,0,0) (0,y,-1/2;-mx,0,0) (0,-y,1/2;-mx,0,0) 8i (0,y,0;0,0,0) (0,-y,0;0,0,0) (0,y,1;0,0,0) (0,-y,1;0,0,0) 8h (x,0,1/2;0,my,0) (x,0,-1/2;0,-my,0) (-x,0,-1/2;0,my,0) (-x,0,1/2;0,-my,0) 8g (x,0,0;0,0,0) (-x,0,0;0,0,0) (x,0,1;0,0,0) (-x,0,1;0,0,0) 8f (1/4,1/4,1/2;0,0,0) (1/4,-1/4,-1/2;0,0,0) (-1/4,-1/4,-1/2;0,0,0) (-1/4,1/4,1/2;0,0,0) 8e (1/4,1/4,0;0,0,mz) (1/4,-1/4,0;0,0,-mz) (1/4,1/4,1;0,0,-mz) (1/4,-1/4,1;0,0,mz) 4d (0,0,1/2;0,0,0) (0,0,-1/2;0,0,0) 4c (1/2,0,1/2;0,0,0) (1/2,0,-1/2;0,0,0) 4b (1/2,0,0;0,0,0) (1/2,0,1;0,0,0) 4a (0,0,0;0,0,0) (0,0,1;0,0,0) ---------- UNI: 65.489 Cmmm.1'_a[Pmmm] BNS: 65.489 C_ammm OG: 47.7.353 P_Cmmm OG-BNS transformation: (0,0,0;2a,2b,c) Operators (BNS): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (-1|0,0,0) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (1|1/2,0,0)' (2x|1/2,0,0)' (2y|1/2,0,0)' (2z|1/2,0,0)' (-1|1/2,0,0)' (mx|1/2,0,0)' (my|1/2,0,0)' (mz|1/2,0,0)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,0)+ 32alpha (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x+1/2,y,z;-mx,-my,-mz) (x+1/2,-y,-z;-mx,my,mz) (-x+1/2,y,-z;mx,-my,mz) (-x+1/2,-y,z;mx,my,-mz) (-x+1/2,-y,-z;-mx,-my,-mz) (-x+1/2,y,z;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) (x+1/2,y,-z;mx,my,-mz) 16z (x,y,1/2;0,0,mz) (x,-y,1/2;0,0,-mz) (-x,y,1/2;0,0,-mz) (-x,-y,1/2;0,0,mz) (x+1/2,y,1/2;0,0,-mz) (x+1/2,-y,1/2;0,0,mz) (-x+1/2,y,1/2;0,0,mz) (-x+1/2,-y,1/2;0,0,-mz) 16y (x,y,0;0,0,mz) (x,-y,0;0,0,-mz) (-x,y,0;0,0,-mz) (-x,-y,0;0,0,mz) (x+1/2,y,0;0,0,-mz) (x+1/2,-y,0;0,0,mz) (-x+1/2,y,0;0,0,mz) (-x+1/2,-y,0;0,0,-mz) 16x (x,1/4,z;mx,0,mz) (x,3/4,-z;mx,0,-mz) (-x,1/4,-z;-mx,0,-mz) (-x,3/4,z;-mx,0,mz) (-x,3/4,-z;mx,0,mz) (-x,1/4,z;mx,0,-mz) (x,3/4,z;-mx,0,-mz) (x,1/4,-z;-mx,0,mz) 16w (x,0,z;0,my,0) (x,0,-z;0,-my,0) (-x,0,-z;0,my,0) (-x,0,z;0,-my,0) (x+1/2,0,z;0,-my,0) (x+1/2,0,-z;0,my,0) (-x+1/2,0,-z;0,-my,0) (-x+1/2,0,z;0,my,0) 16v (1/4,y,z;0,my,mz) (1/4,-y,-z;0,-my,-mz) (3/4,y,-z;0,my,-mz) (3/4,-y,z;0,-my,mz) (3/4,-y,-z;0,my,mz) (3/4,y,z;0,-my,-mz) (1/4,-y,z;0,my,-mz) (1/4,y,-z;0,-my,mz) 16u (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (0,y,-z;-mx,0,0) (0,-y,z;-mx,0,0) (1/2,y,z;-mx,0,0) (1/2,-y,-z;-mx,0,0) (1/2,y,-z;mx,0,0) (1/2,-y,z;mx,0,0) 8t (1/4,1/4,z;0,0,mz) (1/4,3/4,-z;0,0,-mz) (3/4,3/4,-z;0,0,mz) (3/4,1/4,z;0,0,-mz) 8s (1/4,0,z;0,my,0) (1/4,0,-z;0,-my,0) (3/4,0,-z;0,my,0) (3/4,0,z;0,-my,0) 8r (0,1/4,z;mx,0,0) (0,3/4,-z;mx,0,0) (0,1/4,-z;-mx,0,0) (0,3/4,z;-mx,0,0) 8q (0,0,z;0,0,0) (0,0,-z;0,0,0) (1/2,0,z;0,0,0) (1/2,0,-z;0,0,0) 8p (1/4,y,1/2;0,0,mz) (1/4,-y,1/2;0,0,-mz) (3/4,y,1/2;0,0,-mz) (3/4,-y,1/2;0,0,mz) 8o (1/4,y,0;0,0,mz) (1/4,-y,0;0,0,-mz) (3/4,y,0;0,0,-mz) (3/4,-y,0;0,0,mz) 8n (0,y,1/2;0,0,0) (0,-y,1/2;0,0,0) (1/2,y,1/2;0,0,0) (1/2,-y,1/2;0,0,0) 8m (0,y,0;0,0,0) (0,-y,0;0,0,0) (1/2,y,0;0,0,0) (1/2,-y,0;0,0,0) 8l (x,1/4,1/2;0,0,mz) (x,3/4,1/2;0,0,-mz) (-x,1/4,1/2;0,0,-mz) (-x,3/4,1/2;0,0,mz) 8k (x,1/4,0;0,0,mz) (x,3/4,0;0,0,-mz) (-x,1/4,0;0,0,-mz) (-x,3/4,0;0,0,mz) 8j (x,0,1/2;0,0,0) (-x,0,1/2;0,0,0) (x+1/2,0,1/2;0,0,0) (-x+1/2,0,1/2;0,0,0) 8i (x,0,0;0,0,0) (-x,0,0;0,0,0) (x+1/2,0,0;0,0,0) (-x+1/2,0,0;0,0,0) 4h (1/4,1/4,1/2;0,0,mz) (1/4,3/4,1/2;0,0,-mz) 4g (0,1/4,1/2;0,0,0) (0,3/4,1/2;0,0,0) 4f (1/4,1/4,0;0,0,mz) (1/4,3/4,0;0,0,-mz) 4e (0,1/4,0;0,0,0) (0,3/4,0;0,0,0) 4d (1/4,0,1/2;0,0,0) (3/4,0,1/2;0,0,0) 4c (0,0,1/2;0,0,0) (1/2,0,1/2;0,0,0) 4b (1/4,0,0;0,0,0) (3/4,0,0;0,0,0) 4a (0,0,0;0,0,0) (1/2,0,0;0,0,0) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (-1|0,0,0) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (1|1,0,0)' (2x|1,0,0)' (2y|1,0,0)' (2z|1,0,0)' (-1|1,0,0)' (mx|1,0,0)' (my|1,0,0)' (mz|1,0,0)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,2,0)+ (0,0,1)+ (1,1,0)+ 32alpha (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x+1,y,z;-mx,-my,-mz) (x+1,-y,-z;-mx,my,mz) (-x+1,y,-z;mx,-my,mz) (-x+1,-y,z;mx,my,-mz) (-x+1,-y,-z;-mx,-my,-mz) (-x+1,y,z;-mx,my,mz) (x+1,-y,z;mx,-my,mz) (x+1,y,-z;mx,my,-mz) 16z (x,y,1/2;0,0,mz) (x,-y,-1/2;0,0,-mz) (-x,y,-1/2;0,0,-mz) (-x,-y,1/2;0,0,mz) (x+1,y,1/2;0,0,-mz) (x+1,-y,-1/2;0,0,mz) (-x+1,y,-1/2;0,0,mz) (-x+1,-y,1/2;0,0,-mz) 16y (x,y,0;0,0,mz) (x,-y,0;0,0,-mz) (-x,y,0;0,0,-mz) (-x,-y,0;0,0,mz) (x+1,y,0;0,0,-mz) (x+1,-y,0;0,0,mz) (-x+1,y,0;0,0,mz) (-x+1,-y,0;0,0,-mz) 16x (x,1/2,z;mx,0,mz) (x,-1/2,-z;mx,0,-mz) (-x,1/2,-z;-mx,0,-mz) (-x,-1/2,z;-mx,0,mz) (-x,-1/2,-z;mx,0,mz) (-x,1/2,z;mx,0,-mz) (x,-1/2,z;-mx,0,-mz) (x,1/2,-z;-mx,0,mz) 16w (x,0,z;0,my,0) (x,0,-z;0,-my,0) (-x,0,-z;0,my,0) (-x,0,z;0,-my,0) (x+1,0,z;0,-my,0) (x+1,0,-z;0,my,0) (-x+1,0,-z;0,-my,0) (-x+1,0,z;0,my,0) 16v (1/2,y,z;0,my,mz) (1/2,-y,-z;0,-my,-mz) (-1/2,y,-z;0,my,-mz) (-1/2,-y,z;0,-my,mz) (-1/2,-y,-z;0,my,mz) (-1/2,y,z;0,-my,-mz) (1/2,-y,z;0,my,-mz) (1/2,y,-z;0,-my,mz) 16u (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (0,y,-z;-mx,0,0) (0,-y,z;-mx,0,0) (1,y,z;-mx,0,0) (1,-y,-z;-mx,0,0) (1,y,-z;mx,0,0) (1,-y,z;mx,0,0) 8t (1/2,1/2,z;0,0,mz) (1/2,-1/2,-z;0,0,-mz) (-1/2,-1/2,-z;0,0,mz) (-1/2,1/2,z;0,0,-mz) 8s (1/2,0,z;0,my,0) (1/2,0,-z;0,-my,0) (-1/2,0,-z;0,my,0) (-1/2,0,z;0,-my,0) 8r (0,1/2,z;mx,0,0) (0,-1/2,-z;mx,0,0) (0,1/2,-z;-mx,0,0) (0,-1/2,z;-mx,0,0) 8q (0,0,z;0,0,0) (0,0,-z;0,0,0) (1,0,z;0,0,0) (1,0,-z;0,0,0) 8p (1/2,y,1/2;0,0,mz) (1/2,-y,-1/2;0,0,-mz) (-1/2,y,-1/2;0,0,-mz) (-1/2,-y,1/2;0,0,mz) 8o (1/2,y,0;0,0,mz) (1/2,-y,0;0,0,-mz) (-1/2,y,0;0,0,-mz) (-1/2,-y,0;0,0,mz) 8n (0,y,1/2;0,0,0) (0,-y,-1/2;0,0,0) (1,y,1/2;0,0,0) (1,-y,-1/2;0,0,0) 8m (0,y,0;0,0,0) (0,-y,0;0,0,0) (1,y,0;0,0,0) (1,-y,0;0,0,0) 8l (x,1/2,1/2;0,0,mz) (x,-1/2,-1/2;0,0,-mz) (-x,1/2,-1/2;0,0,-mz) (-x,-1/2,1/2;0,0,mz) 8k (x,1/2,0;0,0,mz) (x,-1/2,0;0,0,-mz) (-x,1/2,0;0,0,-mz) (-x,-1/2,0;0,0,mz) 8j (x,0,1/2;0,0,0) (-x,0,-1/2;0,0,0) (x+1,0,1/2;0,0,0) (-x+1,0,-1/2;0,0,0) 8i (x,0,0;0,0,0) (-x,0,0;0,0,0) (x+1,0,0;0,0,0) (-x+1,0,0;0,0,0) 4h (1/2,1/2,1/2;0,0,mz) (1/2,-1/2,-1/2;0,0,-mz) 4g (0,1/2,1/2;0,0,0) (0,-1/2,-1/2;0,0,0) 4f (1/2,1/2,0;0,0,mz) (1/2,-1/2,0;0,0,-mz) 4e (0,1/2,0;0,0,0) (0,-1/2,0;0,0,0) 4d (1/2,0,1/2;0,0,0) (-1/2,0,-1/2;0,0,0) 4c (0,0,1/2;0,0,0) (1,0,1/2;0,0,0) 4b (1/2,0,0;0,0,0) (-1/2,0,0;0,0,0) 4a (0,0,0;0,0,0) (1,0,0;0,0,0) ---------- UNI: 65.490 Cmmm.1'_A[Fmmm] BNS: 65.490 C_Ammm OG: 69.6.610 F_Cmmm OG-BNS transformation: (0,0,0;a,b,c) Operators (BNS): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (-1|0,0,0) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (1|0,1/2,1/2)' (2x|1/2,0,1/2)' (2y|1/2,0,1/2)' (2z|1/2,0,1/2)' (-1|1/2,0,1/2)' (mx|1/2,0,1/2)' (my|1/2,0,1/2)' (mz|1/2,0,1/2)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,0)+ 32p (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (x+1/2,-y,-z+1/2;-mx,my,mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x+1/2,-y,-z+1/2;-mx,-my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) (x+1/2,y,-z+1/2;mx,my,-mz) 16o (x,y,0;0,0,mz) (x,-y,0;0,0,-mz) (-x,y,0;0,0,-mz) (-x,-y,0;0,0,mz) (x,y+1/2,1/2;0,0,-mz) (x+1/2,-y,1/2;0,0,mz) (-x+1/2,y,1/2;0,0,mz) (-x+1/2,-y,1/2;0,0,-mz) 16n (x,0,z;0,my,0) (x,0,-z;0,-my,0) (-x,0,-z;0,my,0) (-x,0,z;0,-my,0) (x,1/2,z+1/2;0,-my,0) (x+1/2,0,-z+1/2;0,my,0) (-x+1/2,0,-z+1/2;0,-my,0) (-x+1/2,0,z+1/2;0,my,0) 16m (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (0,y,-z;-mx,0,0) (0,-y,z;-mx,0,0) (0,y+1/2,z+1/2;-mx,0,0) (1/2,-y,-z+1/2;-mx,0,0) (1/2,y,-z+1/2;mx,0,0) (1/2,-y,z+1/2;mx,0,0) 16l (x,1/4,1/4;0,my,mz) (x,3/4,3/4;0,-my,-mz) (-x,1/4,3/4;0,my,-mz) (-x,3/4,1/4;0,-my,mz) (-x,3/4,3/4;0,my,mz) (-x,1/4,1/4;0,-my,-mz) (x,3/4,1/4;0,my,-mz) (x,1/4,3/4;0,-my,mz) 16k (1/4,y,1/4;mx,0,mz) (1/4,-y,3/4;mx,0,-mz) (3/4,y,3/4;-mx,0,-mz) (3/4,-y,1/4;-mx,0,mz) (3/4,-y,3/4;mx,0,mz) (3/4,y,1/4;mx,0,-mz) (1/4,-y,1/4;-mx,0,-mz) (1/4,y,3/4;-mx,0,mz) 16j (1/4,1/4,z;0,0,mz) (1/4,3/4,-z;0,0,-mz) (3/4,3/4,-z;0,0,mz) (3/4,1/4,z;0,0,-mz) (1/4,3/4,z+1/2;0,0,-mz) (3/4,3/4,-z+1/2;0,0,mz) (1/4,3/4,-z+1/2;0,0,-mz) (1/4,1/4,z+1/2;0,0,mz) 8i (0,0,z;0,0,0) (0,0,-z;0,0,0) (0,1/2,z+1/2;0,0,0) (1/2,0,-z+1/2;0,0,0) 8h (0,y,0;0,0,0) (0,-y,0;0,0,0) (0,y+1/2,1/2;0,0,0) (1/2,-y,1/2;0,0,0) 8g (x,0,0;0,0,0) (-x,0,0;0,0,0) (x,1/2,1/2;0,0,0) (-x+1/2,0,1/2;0,0,0) 8f (1/4,1/4,1/4;0,0,mz) (1/4,3/4,3/4;0,0,-mz) (3/4,3/4,3/4;0,0,mz) (3/4,1/4,1/4;0,0,-mz) 8e (1/4,1/4,0;0,0,mz) (1/4,3/4,0;0,0,-mz) (1/4,3/4,1/2;0,0,-mz) (3/4,3/4,1/2;0,0,mz) 8d (1/4,0,1/4;0,0,0) (1/4,0,3/4;0,0,0) (3/4,0,3/4;0,0,0) (3/4,0,1/4;0,0,0) 8c (0,1/4,1/4;0,0,0) (0,3/4,3/4;0,0,0) (0,1/4,3/4;0,0,0) (0,3/4,1/4;0,0,0) 4b (0,0,1/2;0,0,0) (0,1/2,0;0,0,0) 4a (0,0,0;0,0,0) (0,1/2,1/2;0,0,0) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (-1|0,0,0) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (1|1/2,0,1/2)' (2x|1/2,0,1/2)' (2y|1/2,0,1/2)' (2z|1/2,0,1/2)' (-1|1/2,0,1/2)' (mx|1/2,0,1/2)' (my|1/2,0,1/2)' (mz|1/2,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,0)+ 32p (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x+1/2,y,z+1/2;-mx,-my,-mz) (x+1/2,-y,-z+1/2;-mx,my,mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x+1/2,-y,-z+1/2;-mx,-my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) (x+1/2,y,-z+1/2;mx,my,-mz) 16o (x,y,0;0,0,mz) (x,-y,0;0,0,-mz) (-x,y,0;0,0,-mz) (-x,-y,0;0,0,mz) (x+1/2,y,1/2;0,0,-mz) (x+1/2,-y,1/2;0,0,mz) (-x+1/2,y,1/2;0,0,mz) (-x+1/2,-y,1/2;0,0,-mz) 16n (x,0,z;0,my,0) (x,0,-z;0,-my,0) (-x,0,-z;0,my,0) (-x,0,z;0,-my,0) (x+1/2,0,z+1/2;0,-my,0) (x+1/2,0,-z+1/2;0,my,0) (-x+1/2,0,-z+1/2;0,-my,0) (-x+1/2,0,z+1/2;0,my,0) 16m (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (0,y,-z;-mx,0,0) (0,-y,z;-mx,0,0) (1/2,y,z+1/2;-mx,0,0) (1/2,-y,-z+1/2;-mx,0,0) (1/2,y,-z+1/2;mx,0,0) (1/2,-y,z+1/2;mx,0,0) 16l (x,1/4,1/4;0,my,mz) (x,-1/4,-1/4;0,-my,-mz) (-x,1/4,-1/4;0,my,-mz) (-x,-1/4,1/4;0,-my,mz) (-x,-1/4,-1/4;0,my,mz) (-x,1/4,1/4;0,-my,-mz) (x,-1/4,1/4;0,my,-mz) (x,1/4,-1/4;0,-my,mz) 16k (1/4,y,1/4;mx,0,mz) (1/4,-y,-1/4;mx,0,-mz) (-1/4,y,-1/4;-mx,0,-mz) (-1/4,-y,1/4;-mx,0,mz) (-1/4,-y,-1/4;mx,0,mz) (-1/4,y,1/4;mx,0,-mz) (1/4,-y,1/4;-mx,0,-mz) (1/4,y,-1/4;-mx,0,mz) 16j (1/4,1/4,z;0,0,mz) (1/4,-1/4,-z;0,0,-mz) (-1/4,-1/4,-z;0,0,mz) (-1/4,1/4,z;0,0,-mz) (3/4,1/4,z+1/2;0,0,-mz) (3/4,-1/4,-z+1/2;0,0,mz) (1/4,-1/4,-z+1/2;0,0,-mz) (1/4,1/4,z+1/2;0,0,mz) 8i (0,0,z;0,0,0) (0,0,-z;0,0,0) (1/2,0,z+1/2;0,0,0) (1/2,0,-z+1/2;0,0,0) 8h (0,y,0;0,0,0) (0,-y,0;0,0,0) (1/2,y,1/2;0,0,0) (1/2,-y,1/2;0,0,0) 8g (x,0,0;0,0,0) (-x,0,0;0,0,0) (x+1/2,0,1/2;0,0,0) (-x+1/2,0,1/2;0,0,0) 8f (1/4,1/4,1/4;0,0,mz) (1/4,-1/4,-1/4;0,0,-mz) (-1/4,-1/4,-1/4;0,0,mz) (-1/4,1/4,1/4;0,0,-mz) 8e (1/4,1/4,0;0,0,mz) (1/4,-1/4,0;0,0,-mz) (3/4,1/4,1/2;0,0,-mz) (3/4,-1/4,1/2;0,0,mz) 8d (1/4,0,1/4;0,0,0) (1/4,0,-1/4;0,0,0) (-1/4,0,-1/4;0,0,0) (-1/4,0,1/4;0,0,0) 8c (0,1/4,1/4;0,0,0) (0,-1/4,-1/4;0,0,0) (0,1/4,-1/4;0,0,0) (0,-1/4,1/4;0,0,0) 4b (0,0,1/2;0,0,0) (1/2,0,1;0,0,0) 4a (0,0,0;0,0,0) (1/2,0,1/2;0,0,0) ---------- UNI: 66.491 Cccm.1 BNS: 66.491 Cccm OG: 66.1.564 Cccm Operators: (1|0,0,0) (2x|0,0,1/2) (2y|0,0,1/2) (2z|0,0,0) (-1|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (mz|0,0,0) Wyckoff positions: (0,0,0)+ (1/2,1/2,0)+ 16m (x,y,z;mx,my,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,-z;-mx,-my,mz) 8l (x,y,0;0,0,mz) (x,-y,1/2;0,0,-mz) (-x,y,1/2;0,0,-mz) (-x,-y,0;0,0,mz) 8k (1/4,1/4,z;0,0,mz) (1/4,3/4,-z+1/2;0,0,-mz) (3/4,3/4,-z;0,0,mz) (3/4,1/4,z+1/2;0,0,-mz) 8j (0,1/2,z;0,0,mz) (0,1/2,-z+1/2;0,0,-mz) (0,1/2,-z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) 8i (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (0,0,z+1/2;0,0,-mz) 8h (0,y,1/4;0,my,0) (0,-y,1/4;0,-my,0) (0,-y,3/4;0,my,0) (0,y,3/4;0,-my,0) 8g (x,0,1/4;mx,0,0) (-x,0,1/4;-mx,0,0) (-x,0,3/4;mx,0,0) (x,0,3/4;-mx,0,0) 4f (1/4,3/4,0;0,0,mz) (1/4,1/4,1/2;0,0,-mz) 4e (1/4,1/4,0;0,0,mz) (1/4,3/4,1/2;0,0,-mz) 4d (0,1/2,0;0,0,mz) (0,1/2,1/2;0,0,-mz) 4c (0,0,0;0,0,mz) (0,0,1/2;0,0,-mz) 4b (0,1/2,1/4;0,0,0) (0,1/2,3/4;0,0,0) 4a (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) ---------- UNI: 66.492 Cccm.1' BNS: 66.492 Cccm1' OG: 66.2.565 Cccm1' Operators: (1|0,0,0) (2x|0,0,1/2) (2y|0,0,1/2) (2z|0,0,0) (-1|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (mz|0,0,0) (1|0,0,0)' (2x|0,0,1/2)' (2y|0,0,1/2)' (2z|0,0,0)' (-1|0,0,0)' (mx|0,0,1/2)' (my|0,0,1/2)' (mz|0,0,0)' Wyckoff positions: (0,0,0)+ (1/2,1/2,0)+ 16m (x,y,z;0,0,0) (x,-y,-z+1/2;0,0,0) (-x,y,-z+1/2;0,0,0) (-x,-y,z;0,0,0) (-x,-y,-z;0,0,0) (-x,y,z+1/2;0,0,0) (x,-y,z+1/2;0,0,0) (x,y,-z;0,0,0) 8l (x,y,0;0,0,0) (x,-y,1/2;0,0,0) (-x,y,1/2;0,0,0) (-x,-y,0;0,0,0) 8k (1/4,1/4,z;0,0,0) (1/4,3/4,-z+1/2;0,0,0) (3/4,3/4,-z;0,0,0) (3/4,1/4,z+1/2;0,0,0) 8j (0,1/2,z;0,0,0) (0,1/2,-z+1/2;0,0,0) (0,1/2,-z;0,0,0) (0,1/2,z+1/2;0,0,0) 8i (0,0,z;0,0,0) (0,0,-z+1/2;0,0,0) (0,0,-z;0,0,0) (0,0,z+1/2;0,0,0) 8h (0,y,1/4;0,0,0) (0,-y,1/4;0,0,0) (0,-y,3/4;0,0,0) (0,y,3/4;0,0,0) 8g (x,0,1/4;0,0,0) (-x,0,1/4;0,0,0) (-x,0,3/4;0,0,0) (x,0,3/4;0,0,0) 4f (1/4,3/4,0;0,0,0) (1/4,1/4,1/2;0,0,0) 4e (1/4,1/4,0;0,0,0) (1/4,3/4,1/2;0,0,0) 4d (0,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) 4c (0,0,0;0,0,0) (0,0,1/2;0,0,0) 4b (0,1/2,1/4;0,0,0) (0,1/2,3/4;0,0,0) 4a (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) ---------- UNI: 66.493 Cc'cm BNS: 66.493 Cc'cm OG: 66.3.566 Cc'cm Operators: (1|0,0,0) (2x|0,0,1/2) (2y|0,0,1/2)' (2z|0,0,0)' (-1|0,0,0)' (mx|0,0,1/2)' (my|0,0,1/2) (mz|0,0,0) Wyckoff positions: (0,0,0)+ (1/2,1/2,0)+ 16m (x,y,z;mx,my,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,-z;-mx,-my,mz) 8l (x,y,0;0,0,mz) (x,-y,1/2;0,0,-mz) (-x,y,1/2;0,0,mz) (-x,-y,0;0,0,-mz) 8k (1/4,1/4,z;mx,my,0) (1/4,3/4,-z+1/2;mx,-my,0) (1/4,1/4,-z;-mx,-my,0) (1/4,3/4,z+1/2;-mx,my,0) 8j (0,1/2,z;mx,my,0) (0,1/2,-z+1/2;mx,-my,0) (0,1/2,-z;-mx,-my,0) (0,1/2,z+1/2;-mx,my,0) 8i (0,0,z;mx,my,0) (0,0,-z+1/2;mx,-my,0) (0,0,-z;-mx,-my,0) (0,0,z+1/2;-mx,my,0) 8h (0,y,1/4;mx,0,mz) (0,-y,1/4;mx,0,-mz) (0,-y,3/4;-mx,0,-mz) (0,y,3/4;-mx,0,mz) 8g (x,0,1/4;mx,0,0) (-x,0,1/4;mx,0,0) (-x,0,3/4;-mx,0,0) (x,0,3/4;-mx,0,0) 4f (1/4,3/4,0;0,0,0) (1/4,1/4,1/2;0,0,0) 4e (1/4,1/4,0;0,0,0) (1/4,3/4,1/2;0,0,0) 4d (0,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) 4c (0,0,0;0,0,0) (0,0,1/2;0,0,0) 4b (0,1/2,1/4;mx,0,0) (0,1/2,3/4;-mx,0,0) 4a (0,0,1/4;mx,0,0) (0,0,3/4;-mx,0,0) ---------- UNI: 66.494 Cccm' BNS: 66.494 Cccm' OG: 66.4.567 Cccm' Operators: (1|0,0,0) (2x|0,0,1/2)' (2y|0,0,1/2)' (2z|0,0,0) (-1|0,0,0)' (mx|0,0,1/2) (my|0,0,1/2) (mz|0,0,0)' Wyckoff positions: (0,0,0)+ (1/2,1/2,0)+ 16m (x,y,z;mx,my,mz) (x,-y,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,-z;mx,my,-mz) 8l (x,y,0;mx,my,0) (x,-y,1/2;-mx,my,0) (-x,y,1/2;mx,-my,0) (-x,-y,0;-mx,-my,0) 8k (1/4,1/4,z;0,0,mz) (1/4,3/4,-z+1/2;0,0,mz) (3/4,3/4,-z;0,0,-mz) (3/4,1/4,z+1/2;0,0,-mz) 8j (0,1/2,z;0,0,mz) (0,1/2,-z+1/2;0,0,mz) (0,1/2,-z;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) 8i (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,mz) (0,0,-z;0,0,-mz) (0,0,z+1/2;0,0,-mz) 8h (0,y,1/4;mx,0,mz) (0,-y,1/4;-mx,0,mz) (0,-y,3/4;-mx,0,-mz) (0,y,3/4;mx,0,-mz) 8g (x,0,1/4;0,my,mz) (-x,0,1/4;0,-my,mz) (-x,0,3/4;0,-my,-mz) (x,0,3/4;0,my,-mz) 4f (1/4,3/4,0;0,0,0) (3/4,3/4,1/2;0,0,0) 4e (1/4,1/4,0;0,0,0) (3/4,1/4,1/2;0,0,0) 4d (0,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) 4c (0,0,0;0,0,0) (0,0,1/2;0,0,0) 4b (0,1/2,1/4;0,0,mz) (0,1/2,3/4;0,0,-mz) 4a (0,0,1/4;0,0,mz) (0,0,3/4;0,0,-mz) ---------- UNI: 66.495 Cc'c'm BNS: 66.495 Cc'c'm OG: 66.5.568 Cc'c'm Operators: (1|0,0,0) (2x|0,0,1/2)' (2y|0,0,1/2)' (2z|0,0,0) (-1|0,0,0) (mx|0,0,1/2)' (my|0,0,1/2)' (mz|0,0,0) Wyckoff positions: (0,0,0)+ (1/2,1/2,0)+ 16m (x,y,z;mx,my,mz) (x,-y,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (x,y,-z;-mx,-my,mz) 8l (x,y,0;0,0,mz) (x,-y,1/2;0,0,mz) (-x,y,1/2;0,0,mz) (-x,-y,0;0,0,mz) 8k (1/4,1/4,z;0,0,mz) (1/4,3/4,-z+1/2;0,0,mz) (3/4,3/4,-z;0,0,mz) (3/4,1/4,z+1/2;0,0,mz) 8j (0,1/2,z;0,0,mz) (0,1/2,-z+1/2;0,0,mz) (0,1/2,-z;0,0,mz) (0,1/2,z+1/2;0,0,mz) 8i (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,mz) (0,0,-z;0,0,mz) (0,0,z+1/2;0,0,mz) 8h (0,y,1/4;mx,0,mz) (0,-y,1/4;-mx,0,mz) (0,-y,3/4;mx,0,mz) (0,y,3/4;-mx,0,mz) 8g (x,0,1/4;0,my,mz) (-x,0,1/4;0,-my,mz) (-x,0,3/4;0,my,mz) (x,0,3/4;0,-my,mz) 4f (1/4,3/4,0;0,0,mz) (1/4,1/4,1/2;0,0,mz) 4e (1/4,1/4,0;0,0,mz) (1/4,3/4,1/2;0,0,mz) 4d (0,1/2,0;0,0,mz) (0,1/2,1/2;0,0,mz) 4c (0,0,0;0,0,mz) (0,0,1/2;0,0,mz) 4b (0,1/2,1/4;0,0,mz) (0,1/2,3/4;0,0,mz) 4a (0,0,1/4;0,0,mz) (0,0,3/4;0,0,mz) ---------- UNI: 66.496 Ccc'm' BNS: 66.496 Ccc'm' OG: 66.6.569 Ccc'm' Operators: (1|0,0,0) (2x|0,0,1/2) (2y|0,0,1/2)' (2z|0,0,0)' (-1|0,0,0) (mx|0,0,1/2) (my|0,0,1/2)' (mz|0,0,0)' Wyckoff positions: (0,0,0)+ (1/2,1/2,0)+ 16m (x,y,z;mx,my,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,z;mx,my,-mz) (-x,-y,-z;mx,my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;mx,-my,mz) (x,y,-z;mx,my,-mz) 8l (x,y,0;mx,my,0) (x,-y,1/2;mx,-my,0) (-x,y,1/2;mx,-my,0) (-x,-y,0;mx,my,0) 8k (1/4,1/4,z;mx,my,0) (1/4,3/4,-z+1/2;mx,-my,0) (3/4,3/4,-z;mx,my,0) (3/4,1/4,z+1/2;mx,-my,0) 8j (0,1/2,z;mx,my,0) (0,1/2,-z+1/2;mx,-my,0) (0,1/2,-z;mx,my,0) (0,1/2,z+1/2;mx,-my,0) 8i (0,0,z;mx,my,0) (0,0,-z+1/2;mx,-my,0) (0,0,-z;mx,my,0) (0,0,z+1/2;mx,-my,0) 8h (0,y,1/4;mx,0,mz) (0,-y,1/4;mx,0,-mz) (0,-y,3/4;mx,0,mz) (0,y,3/4;mx,0,-mz) 8g (x,0,1/4;mx,0,0) (-x,0,1/4;mx,0,0) (-x,0,3/4;mx,0,0) (x,0,3/4;mx,0,0) 4f (1/4,3/4,0;mx,my,0) (1/4,1/4,1/2;mx,-my,0) 4e (1/4,1/4,0;mx,my,0) (1/4,3/4,1/2;mx,-my,0) 4d (0,1/2,0;mx,my,0) (0,1/2,1/2;mx,-my,0) 4c (0,0,0;mx,my,0) (0,0,1/2;mx,-my,0) 4b (0,1/2,1/4;mx,0,0) (0,1/2,3/4;mx,0,0) 4a (0,0,1/4;mx,0,0) (0,0,3/4;mx,0,0) ---------- UNI: 66.497 Cc'c'm' BNS: 66.497 Cc'c'm' OG: 66.7.570 Cc'c'm' Operators: (1|0,0,0) (2x|0,0,1/2) (2y|0,0,1/2) (2z|0,0,0) (-1|0,0,0)' (mx|0,0,1/2)' (my|0,0,1/2)' (mz|0,0,0)' Wyckoff positions: (0,0,0)+ (1/2,1/2,0)+ 16m (x,y,z;mx,my,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (x,y,-z;mx,my,-mz) 8l (x,y,0;mx,my,0) (x,-y,1/2;mx,-my,0) (-x,y,1/2;-mx,my,0) (-x,-y,0;-mx,-my,0) 8k (1/4,1/4,z;0,0,mz) (1/4,3/4,-z+1/2;0,0,-mz) (3/4,3/4,-z;0,0,-mz) (3/4,1/4,z+1/2;0,0,mz) 8j (0,1/2,z;0,0,mz) (0,1/2,-z+1/2;0,0,-mz) (0,1/2,-z;0,0,-mz) (0,1/2,z+1/2;0,0,mz) 8i (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (0,0,-z;0,0,-mz) (0,0,z+1/2;0,0,mz) 8h (0,y,1/4;0,my,0) (0,-y,1/4;0,-my,0) (0,-y,3/4;0,-my,0) (0,y,3/4;0,my,0) 8g (x,0,1/4;mx,0,0) (-x,0,1/4;-mx,0,0) (-x,0,3/4;-mx,0,0) (x,0,3/4;mx,0,0) 4f (1/4,3/4,0;0,0,0) (1/4,1/4,1/2;0,0,0) 4e (1/4,1/4,0;0,0,0) (1/4,3/4,1/2;0,0,0) 4d (0,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) 4c (0,0,0;0,0,0) (0,0,1/2;0,0,0) 4b (0,1/2,1/4;0,0,0) (0,1/2,3/4;0,0,0) 4a (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) ---------- UNI: 66.498 Cccm.1'_c[Cmmm] BNS: 66.498 C_cccm OG: 65.11.555 C_2cm'm'm OG-BNS transformation: (0,0,0;a,b,2c) Operators (BNS): (1|0,0,0) (2x|0,0,1/2) (2y|0,0,1/2) (2z|0,0,0) (-1|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (mz|0,0,0) (1|0,0,1/2)' (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,1/2)' (-1|0,0,1/2)' (mx|0,0,0)' (my|0,0,0)' (mz|0,0,1/2)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,0)+ 32r (x,y,z;mx,my,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x,y,z+1/2;-mx,-my,-mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z+1/2;mx,my,-mz) (-x,-y,-z+1/2;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x,y,-z+1/2;mx,my,-mz) 16q (x,y,1/4;mx,my,0) (x,-y,1/4;mx,-my,0) (-x,y,1/4;-mx,my,0) (-x,-y,1/4;-mx,-my,0) (-x,-y,3/4;mx,my,0) (-x,y,3/4;mx,-my,0) (x,-y,3/4;-mx,my,0) (x,y,3/4;-mx,-my,0) 16p (x,y,0;0,0,mz) (x,-y,1/2;0,0,-mz) (-x,y,1/2;0,0,-mz) (-x,-y,0;0,0,mz) (x,y,1/2;0,0,-mz) (x,-y,0;0,0,mz) (-x,y,0;0,0,mz) (-x,-y,1/2;0,0,-mz) 16o (x,0,z;mx,0,mz) (x,0,-z+1/2;mx,0,-mz) (-x,0,-z+1/2;-mx,0,-mz) (-x,0,z;-mx,0,mz) (-x,0,-z;mx,0,mz) (-x,0,z+1/2;mx,0,-mz) (x,0,z+1/2;-mx,0,-mz) (x,0,-z;-mx,0,mz) 16n (0,y,z;0,my,mz) (0,-y,-z+1/2;0,-my,-mz) (0,y,-z+1/2;0,my,-mz) (0,-y,z;0,-my,mz) (0,-y,-z;0,my,mz) (0,y,z+1/2;0,-my,-mz) (0,-y,z+1/2;0,my,-mz) (0,y,-z;0,-my,mz) 16m (1/4,1/4,z;0,0,mz) (1/4,3/4,-z+1/2;0,0,-mz) (3/4,3/4,-z;0,0,mz) (3/4,1/4,z+1/2;0,0,-mz) (1/4,1/4,z+1/2;0,0,-mz) (1/4,3/4,-z;0,0,mz) (3/4,3/4,-z+1/2;0,0,-mz) (3/4,1/4,z;0,0,mz) 8l (0,1/2,z;0,0,mz) (0,1/2,-z+1/2;0,0,-mz) (0,1/2,-z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) 8k (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (0,0,z+1/2;0,0,-mz) 8j (0,y,1/4;0,my,0) (0,-y,1/4;0,-my,0) (0,-y,3/4;0,my,0) (0,y,3/4;0,-my,0) 8i (0,y,0;0,0,mz) (0,-y,1/2;0,0,-mz) (0,y,1/2;0,0,-mz) (0,-y,0;0,0,mz) 8h (x,0,1/4;mx,0,0) (-x,0,1/4;-mx,0,0) (-x,0,3/4;mx,0,0) (x,0,3/4;-mx,0,0) 8g (x,0,0;0,0,mz) (x,0,1/2;0,0,-mz) (-x,0,1/2;0,0,-mz) (-x,0,0;0,0,mz) 8f (1/4,1/4,1/4;0,0,0) (1/4,3/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) (3/4,1/4,3/4;0,0,0) 8e (1/4,1/4,0;0,0,mz) (1/4,3/4,1/2;0,0,-mz) (1/4,1/4,1/2;0,0,-mz) (1/4,3/4,0;0,0,mz) 4d (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 4c (1/2,0,1/4;0,0,0) (1/2,0,3/4;0,0,0) 4b (1/2,0,0;0,0,mz) (1/2,0,1/2;0,0,-mz) 4a (0,0,0;0,0,mz) (0,0,1/2;0,0,-mz) Operators (OG): (1|0,0,0) (2x|0,0,1) (2y|0,0,1) (2z|0,0,0) (-1|0,0,0) (mx|0,0,1) (my|0,0,1) (mz|0,0,0) (1|0,0,1)' (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,1)' (-1|0,0,1)' (mx|0,0,0)' (my|0,0,0)' (mz|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ (1/2,1/2,0)+ 32r (x,y,z;mx,my,mz) (x,-y,-z+1;mx,-my,-mz) (-x,y,-z+1;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z+1;mx,-my,-mz) (x,-y,z+1;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x,y,z+1;-mx,-my,-mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z+1;mx,my,-mz) (-x,-y,-z+1;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x,y,-z+1;mx,my,-mz) 16q (x,y,1/2;mx,my,0) (x,-y,1/2;mx,-my,0) (-x,y,1/2;-mx,my,0) (-x,-y,1/2;-mx,-my,0) (-x,-y,-1/2;mx,my,0) (-x,y,3/2;mx,-my,0) (x,-y,3/2;-mx,my,0) (x,y,-1/2;-mx,-my,0) 16p (x,y,0;0,0,mz) (x,-y,1;0,0,-mz) (-x,y,1;0,0,-mz) (-x,-y,0;0,0,mz) (x,y,1;0,0,-mz) (x,-y,0;0,0,mz) (-x,y,0;0,0,mz) (-x,-y,1;0,0,-mz) 16o (x,0,z;mx,0,mz) (x,0,-z+1;mx,0,-mz) (-x,0,-z+1;-mx,0,-mz) (-x,0,z;-mx,0,mz) (-x,0,-z;mx,0,mz) (-x,0,z+1;mx,0,-mz) (x,0,z+1;-mx,0,-mz) (x,0,-z;-mx,0,mz) 16n (0,y,z;0,my,mz) (0,-y,-z+1;0,-my,-mz) (0,y,-z+1;0,my,-mz) (0,-y,z;0,-my,mz) (0,-y,-z;0,my,mz) (0,y,z+1;0,-my,-mz) (0,-y,z+1;0,my,-mz) (0,y,-z;0,-my,mz) 16m (1/4,1/4,z;0,0,mz) (1/4,-1/4,-z+1;0,0,-mz) (-1/4,-1/4,-z;0,0,mz) (-1/4,1/4,z+1;0,0,-mz) (1/4,1/4,z+1;0,0,-mz) (1/4,-1/4,-z;0,0,mz) (-1/4,-1/4,-z+1;0,0,-mz) (-1/4,1/4,z;0,0,mz) 8l (0,1/2,z;0,0,mz) (0,-1/2,-z+1;0,0,-mz) (0,-1/2,-z;0,0,mz) (0,1/2,z+1;0,0,-mz) 8k (0,0,z;0,0,mz) (0,0,-z+1;0,0,-mz) (0,0,-z;0,0,mz) (0,0,z+1;0,0,-mz) 8j (0,y,1/2;0,my,0) (0,-y,1/2;0,-my,0) (0,-y,-1/2;0,my,0) (0,y,3/2;0,-my,0) 8i (0,y,0;0,0,mz) (0,-y,1;0,0,-mz) (0,y,1;0,0,-mz) (0,-y,0;0,0,mz) 8h (x,0,1/2;mx,0,0) (-x,0,1/2;-mx,0,0) (-x,0,-1/2;mx,0,0) (x,0,3/2;-mx,0,0) 8g (x,0,0;0,0,mz) (x,0,1;0,0,-mz) (-x,0,1;0,0,-mz) (-x,0,0;0,0,mz) 8f (1/4,1/4,1/2;0,0,0) (1/4,-1/4,1/2;0,0,0) (-1/4,-1/4,-1/2;0,0,0) (-1/4,1/4,3/2;0,0,0) 8e (1/4,1/4,0;0,0,mz) (1/4,-1/4,1;0,0,-mz) (1/4,1/4,1;0,0,-mz) (1/4,-1/4,0;0,0,mz) 4d (0,0,1/2;0,0,0) (0,0,-1/2;0,0,0) 4c (1/2,0,1/2;0,0,0) (-1/2,0,-1/2;0,0,0) 4b (1/2,0,0;0,0,mz) (1/2,0,1;0,0,-mz) 4a (0,0,0;0,0,mz) (0,0,1;0,0,-mz) ---------- UNI: 66.499 Cccm.1'_a[Pccm] BNS: 66.499 C_accm OG: 49.9.372 P_Cccm OG-BNS transformation: (0,0,0;2a,2b,c) Operators (BNS): (1|0,0,0) (2x|0,0,1/2) (2y|0,0,1/2) (2z|0,0,0) (-1|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (mz|0,0,0) (1|1/2,0,0)' (2x|1/2,0,1/2)' (2y|1/2,0,1/2)' (2z|1/2,0,0)' (-1|1/2,0,0)' (mx|1/2,0,1/2)' (my|1/2,0,1/2)' (mz|1/2,0,0)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,0)+ 32r (x,y,z;mx,my,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x+1/2,y,z;-mx,-my,-mz) (x+1/2,-y,-z+1/2;-mx,my,mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x+1/2,-y,z;mx,my,-mz) (-x+1/2,-y,-z;-mx,-my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) (x+1/2,y,-z;mx,my,-mz) 16q (x,y,0;0,0,mz) (x,-y,1/2;0,0,-mz) (-x,y,1/2;0,0,-mz) (-x,-y,0;0,0,mz) (x+1/2,y,0;0,0,-mz) (x+1/2,-y,1/2;0,0,mz) (-x+1/2,y,1/2;0,0,mz) (-x+1/2,-y,0;0,0,-mz) 16p (1/4,0,z;mx,my,0) (1/4,0,-z+1/2;mx,-my,0) (3/4,0,-z+1/2;-mx,my,0) (3/4,0,z;-mx,-my,0) (3/4,0,-z;mx,my,0) (3/4,0,z+1/2;mx,-my,0) (1/4,0,z+1/2;-mx,my,0) (1/4,0,-z;-mx,-my,0) 16o (0,1/4,z;mx,my,0) (0,3/4,-z+1/2;mx,-my,0) (0,1/4,-z+1/2;-mx,my,0) (0,3/4,z;-mx,-my,0) (0,3/4,-z;mx,my,0) (0,1/4,z+1/2;mx,-my,0) (0,3/4,z+1/2;-mx,my,0) (0,1/4,-z;-mx,-my,0) 16n (1/4,1/4,z;0,0,mz) (1/4,3/4,-z+1/2;0,0,-mz) (3/4,3/4,-z;0,0,mz) (3/4,1/4,z+1/2;0,0,-mz) (3/4,1/4,z;0,0,-mz) (3/4,3/4,-z+1/2;0,0,mz) (1/4,3/4,-z;0,0,-mz) (1/4,1/4,z+1/2;0,0,mz) 16m (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (0,0,z+1/2;0,0,-mz) (1/2,0,z;0,0,-mz) (1/2,0,-z+1/2;0,0,mz) (1/2,0,-z;0,0,-mz) (1/2,0,z+1/2;0,0,mz) 16l (1/4,y,1/4;mx,0,mz) (1/4,-y,1/4;mx,0,-mz) (3/4,y,1/4;-mx,0,-mz) (3/4,-y,1/4;-mx,0,mz) (3/4,-y,3/4;mx,0,mz) (3/4,y,3/4;mx,0,-mz) (1/4,-y,3/4;-mx,0,-mz) (1/4,y,3/4;-mx,0,mz) 16k (0,y,1/4;0,my,0) (0,-y,1/4;0,-my,0) (0,-y,3/4;0,my,0) (0,y,3/4;0,-my,0) (1/2,y,1/4;0,-my,0) (1/2,-y,1/4;0,my,0) (1/2,-y,3/4;0,-my,0) (1/2,y,3/4;0,my,0) 16j (x,1/4,1/4;0,my,mz) (x,3/4,1/4;0,-my,-mz) (-x,1/4,1/4;0,my,-mz) (-x,3/4,1/4;0,-my,mz) (-x,3/4,3/4;0,my,mz) (-x,1/4,3/4;0,-my,-mz) (x,3/4,3/4;0,my,-mz) (x,1/4,3/4;0,-my,mz) 16i (x,0,1/4;mx,0,0) (-x,0,1/4;-mx,0,0) (-x,0,3/4;mx,0,0) (x,0,3/4;-mx,0,0) (x+1/2,0,1/4;-mx,0,0) (-x+1/2,0,1/4;mx,0,0) (-x+1/2,0,3/4;-mx,0,0) (x+1/2,0,3/4;mx,0,0) 8h (1/4,1/4,1/4;0,0,mz) (1/4,3/4,1/4;0,0,-mz) (3/4,3/4,3/4;0,0,mz) (3/4,1/4,3/4;0,0,-mz) 8g (0,1/4,1/4;0,my,0) (0,3/4,1/4;0,-my,0) (0,3/4,3/4;0,my,0) (0,1/4,3/4;0,-my,0) 8f (1/4,0,1/4;mx,0,0) (3/4,0,1/4;-mx,0,0) (3/4,0,3/4;mx,0,0) (1/4,0,3/4;-mx,0,0) 8e (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) (1/2,0,1/4;0,0,0) (1/2,0,3/4;0,0,0) 8d (1/4,0,0;0,0,0) (1/4,0,1/2;0,0,0) (3/4,0,1/2;0,0,0) (3/4,0,0;0,0,0) 8c (0,1/4,0;0,0,0) (0,3/4,1/2;0,0,0) (0,1/4,1/2;0,0,0) (0,3/4,0;0,0,0) 8b (1/4,1/4,0;0,0,mz) (1/4,3/4,1/2;0,0,-mz) (3/4,1/4,0;0,0,-mz) (3/4,3/4,1/2;0,0,mz) 8a (0,0,0;0,0,mz) (0,0,1/2;0,0,-mz) (1/2,0,0;0,0,-mz) (1/2,0,1/2;0,0,mz) Operators (OG): (1|0,0,0) (2x|0,0,1/2) (2y|0,0,1/2) (2z|0,0,0) (-1|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (mz|0,0,0) (1|1,0,0)' (2x|1,0,1/2)' (2y|1,0,1/2)' (2z|1,0,0)' (-1|1,0,0)' (mx|1,0,1/2)' (my|1,0,1/2)' (mz|1,0,0)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,2,0)+ (0,0,1)+ (1,1,0)+ 32r (x,y,z;mx,my,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x+1,y,z;-mx,-my,-mz) (x+1,-y,-z+1/2;-mx,my,mz) (-x+1,y,-z+1/2;mx,-my,mz) (-x+1,-y,z;mx,my,-mz) (-x+1,-y,-z;-mx,-my,-mz) (-x+1,y,z+1/2;-mx,my,mz) (x+1,-y,z+1/2;mx,-my,mz) (x+1,y,-z;mx,my,-mz) 16q (x,y,0;0,0,mz) (x,-y,1/2;0,0,-mz) (-x,y,1/2;0,0,-mz) (-x,-y,0;0,0,mz) (x+1,y,0;0,0,-mz) (x+1,-y,1/2;0,0,mz) (-x+1,y,1/2;0,0,mz) (-x+1,-y,0;0,0,-mz) 16p (1/2,0,z;mx,my,0) (1/2,0,-z+1/2;mx,-my,0) (-1/2,0,-z+1/2;-mx,my,0) (-1/2,0,z;-mx,-my,0) (-1/2,0,-z;mx,my,0) (-1/2,0,z+1/2;mx,-my,0) (1/2,0,z+1/2;-mx,my,0) (1/2,0,-z;-mx,-my,0) 16o (0,1/2,z;mx,my,0) (0,-1/2,-z+1/2;mx,-my,0) (0,1/2,-z+1/2;-mx,my,0) (0,-1/2,z;-mx,-my,0) (0,-1/2,-z;mx,my,0) (0,1/2,z+1/2;mx,-my,0) (0,-1/2,z+1/2;-mx,my,0) (0,1/2,-z;-mx,-my,0) 16n (1/2,1/2,z;0,0,mz) (1/2,-1/2,-z+1/2;0,0,-mz) (-1/2,-1/2,-z;0,0,mz) (-1/2,1/2,z+1/2;0,0,-mz) (3/2,1/2,z;0,0,-mz) (3/2,-1/2,-z+1/2;0,0,mz) (1/2,-1/2,-z;0,0,-mz) (1/2,1/2,z+1/2;0,0,mz) 16m (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (0,0,z+1/2;0,0,-mz) (1,0,z;0,0,-mz) (1,0,-z+1/2;0,0,mz) (1,0,-z;0,0,-mz) (1,0,z+1/2;0,0,mz) 16l (1/2,y,1/4;mx,0,mz) (1/2,-y,1/4;mx,0,-mz) (-1/2,y,1/4;-mx,0,-mz) (-1/2,-y,1/4;-mx,0,mz) (-1/2,-y,-1/4;mx,0,mz) (-1/2,y,3/4;mx,0,-mz) (1/2,-y,3/4;-mx,0,-mz) (1/2,y,-1/4;-mx,0,mz) 16k (0,y,1/4;0,my,0) (0,-y,1/4;0,-my,0) (0,-y,-1/4;0,my,0) (0,y,3/4;0,-my,0) (1,y,1/4;0,-my,0) (1,-y,1/4;0,my,0) (1,-y,-1/4;0,-my,0) (1,y,3/4;0,my,0) 16j (x,1/2,1/4;0,my,mz) (x,-1/2,1/4;0,-my,-mz) (-x,1/2,1/4;0,my,-mz) (-x,-1/2,1/4;0,-my,mz) (-x,-1/2,-1/4;0,my,mz) (-x,1/2,3/4;0,-my,-mz) (x,-1/2,3/4;0,my,-mz) (x,1/2,-1/4;0,-my,mz) 16i (x,0,1/4;mx,0,0) (-x,0,1/4;-mx,0,0) (-x,0,-1/4;mx,0,0) (x,0,3/4;-mx,0,0) (x+1,0,1/4;-mx,0,0) (-x+1,0,1/4;mx,0,0) (-x+1,0,-1/4;-mx,0,0) (x+1,0,3/4;mx,0,0) 8h (1/2,1/2,1/4;0,0,mz) (1/2,-1/2,1/4;0,0,-mz) (-1/2,-1/2,-1/4;0,0,mz) (-1/2,1/2,3/4;0,0,-mz) 8g (0,1/2,1/4;0,my,0) (0,-1/2,1/4;0,-my,0) (0,-1/2,-1/4;0,my,0) (0,1/2,3/4;0,-my,0) 8f (1/2,0,1/4;mx,0,0) (-1/2,0,1/4;-mx,0,0) (-1/2,0,-1/4;mx,0,0) (1/2,0,3/4;-mx,0,0) 8e (0,0,1/4;0,0,0) (0,0,-1/4;0,0,0) (1,0,1/4;0,0,0) (1,0,-1/4;0,0,0) 8d (1/2,0,0;0,0,0) (1/2,0,1/2;0,0,0) (-1/2,0,1/2;0,0,0) (-1/2,0,0;0,0,0) 8c (0,1/2,0;0,0,0) (0,-1/2,1/2;0,0,0) (0,1/2,1/2;0,0,0) (0,-1/2,0;0,0,0) 8b (1/2,1/2,0;0,0,mz) (1/2,-1/2,1/2;0,0,-mz) (3/2,1/2,0;0,0,-mz) (3/2,-1/2,1/2;0,0,mz) 8a (0,0,0;0,0,mz) (0,0,1/2;0,0,-mz) (1,0,0;0,0,-mz) (1,0,1/2;0,0,mz) ---------- UNI: 66.500 Cccm.1'_A[Fmmm] BNS: 66.500 C_Accm OG: 69.9.613 F_Cm'm'm OG-BNS transformation: (1/4,1/4,0;a,b,c) Operators (BNS): (1|0,0,0) (2x|0,0,1/2) (2y|0,0,1/2) (2z|0,0,0) (-1|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (mz|0,0,0) (1|0,1/2,1/2)' (2x|1/2,0,0)' (2y|1/2,0,0)' (2z|1/2,0,1/2)' (-1|1/2,0,1/2)' (mx|1/2,0,0)' (my|1/2,0,0)' (mz|1/2,0,1/2)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,0)+ 32p (x,y,z;mx,my,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (x+1/2,-y,-z;-mx,my,mz) (-x+1/2,y,-z;mx,-my,mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x+1/2,-y,-z+1/2;-mx,-my,-mz) (-x+1/2,y,z;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) (x+1/2,y,-z+1/2;mx,my,-mz) 16o (x,y,0;0,0,mz) (x,-y,1/2;0,0,-mz) (-x,y,1/2;0,0,-mz) (-x,-y,0;0,0,mz) (x,y+1/2,1/2;0,0,-mz) (x+1/2,-y,0;0,0,mz) (-x+1/2,y,0;0,0,mz) (-x+1/2,-y,1/2;0,0,-mz) 16n (x,3/4,z;mx,0,mz) (x,1/4,-z+1/2;mx,0,-mz) (-x,3/4,-z+1/2;-mx,0,-mz) (-x,1/4,z;-mx,0,mz) (-x,1/4,-z;mx,0,mz) (-x,3/4,z+1/2;mx,0,-mz) (x,1/4,z+1/2;-mx,0,-mz) (x,3/4,-z;-mx,0,mz) 16m (3/4,y,z;0,my,mz) (3/4,-y,-z+1/2;0,-my,-mz) (1/4,y,-z+1/2;0,my,-mz) (1/4,-y,z;0,-my,mz) (1/4,-y,-z;0,my,mz) (1/4,y,z+1/2;0,-my,-mz) (3/4,-y,z+1/2;0,my,-mz) (3/4,y,-z;0,-my,mz) 16l (x,0,1/4;mx,0,0) (-x,0,1/4;-mx,0,0) (-x,0,3/4;mx,0,0) (x,0,3/4;-mx,0,0) (x,1/2,3/4;-mx,0,0) (-x+1/2,0,3/4;mx,0,0) (-x+1/2,0,1/4;-mx,0,0) (x+1/2,0,1/4;mx,0,0) 16k (0,y,1/4;0,my,0) (0,-y,1/4;0,-my,0) (0,-y,3/4;0,my,0) (0,y,3/4;0,-my,0) (0,y+1/2,3/4;0,-my,0) (1/2,-y,3/4;0,my,0) (1/2,-y,1/4;0,-my,0) (1/2,y,1/4;0,my,0) 16j (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (0,0,z+1/2;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) (1/2,0,-z;0,0,mz) (1/2,0,-z+1/2;0,0,-mz) (1/2,0,z;0,0,mz) 8i (3/4,3/4,z;0,0,mz) (3/4,1/4,-z+1/2;0,0,-mz) (1/4,1/4,-z;0,0,mz) (1/4,3/4,z+1/2;0,0,-mz) 8h (3/4,y,0;0,0,mz) (3/4,-y,1/2;0,0,-mz) (1/4,y,1/2;0,0,-mz) (1/4,-y,0;0,0,mz) 8g (x,3/4,0;0,0,mz) (x,1/4,1/2;0,0,-mz) (-x,3/4,1/2;0,0,-mz) (-x,1/4,0;0,0,mz) 8f (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,0,1/4;0,0,0) 8e (0,0,0;0,0,mz) (0,0,1/2;0,0,-mz) (0,1/2,1/2;0,0,-mz) (1/2,0,0;0,0,mz) 8d (0,3/4,1/4;0,0,0) (0,1/4,1/4;0,0,0) (0,1/4,3/4;0,0,0) (0,3/4,3/4;0,0,0) 8c (3/4,0,1/4;0,0,0) (1/4,0,1/4;0,0,0) (1/4,0,3/4;0,0,0) (3/4,0,3/4;0,0,0) 4b (3/4,3/4,1/2;0,0,mz) (3/4,1/4,0;0,0,-mz) 4a (3/4,3/4,0;0,0,mz) (3/4,1/4,1/2;0,0,-mz) Operators (OG): (1|0,0,0) (2x|1/2,0,1/2) (2y|1/2,0,1/2) (2z|0,0,0) (-1|0,0,0) (mx|1/2,0,1/2) (my|1/2,0,1/2) (mz|0,0,0) (1|1/2,0,1/2)' (2x|0,0,0)' (2y|0,0,0)' (2z|1/2,0,1/2)' (-1|1/2,0,1/2)' (mx|0,0,0)' (my|0,0,0)' (mz|1/2,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,0)+ 32p (x,y,z;mx,my,mz) (x+1/2,-y,-z+1/2;mx,-my,-mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x+1/2,y,z+1/2;-mx,-my,-mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x+1/2,-y,-z+1/2;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x+1/2,y,-z+1/2;mx,my,-mz) 16o (x,y,0;0,0,mz) (x+1/2,-y,1/2;0,0,-mz) (-x+1/2,y,1/2;0,0,-mz) (-x,-y,0;0,0,mz) (x+1/2,y,1/2;0,0,-mz) (x,-y,0;0,0,mz) (-x,y,0;0,0,mz) (-x+1/2,-y,1/2;0,0,-mz) 16n (x,0,z;mx,0,mz) (x+1/2,0,-z+1/2;mx,0,-mz) (-x+1/2,0,-z+1/2;-mx,0,-mz) (-x,0,z;-mx,0,mz) (-x,0,-z;mx,0,mz) (-x+1/2,0,z+1/2;mx,0,-mz) (x+1/2,0,z+1/2;-mx,0,-mz) (x,0,-z;-mx,0,mz) 16m (0,y,z;0,my,mz) (1/2,-y,-z+1/2;0,-my,-mz) (1/2,y,-z+1/2;0,my,-mz) (0,-y,z;0,-my,mz) (0,-y,-z;0,my,mz) (1/2,y,z+1/2;0,-my,-mz) (1/2,-y,z+1/2;0,my,-mz) (0,y,-z;0,-my,mz) 16l (x,1/4,1/4;mx,0,0) (-x+1/2,1/4,1/4;-mx,0,0) (-x,-1/4,-1/4;mx,0,0) (x+1/2,-1/4,3/4;-mx,0,0) (x+1/2,1/4,3/4;-mx,0,0) (-x,1/4,-1/4;mx,0,0) (-x+1/2,-1/4,1/4;-mx,0,0) (x,-1/4,1/4;mx,0,0) 16k (1/4,y,1/4;0,my,0) (3/4,-y,1/4;0,-my,0) (-1/4,-y,-1/4;0,my,0) (1/4,y,3/4;0,-my,0) (3/4,y,3/4;0,-my,0) (1/4,-y,-1/4;0,my,0) (1/4,-y,1/4;0,-my,0) (-1/4,y,1/4;0,my,0) 16j (1/4,1/4,z;0,0,mz) (3/4,-1/4,-z+1/2;0,0,-mz) (-1/4,-1/4,-z;0,0,mz) (1/4,1/4,z+1/2;0,0,-mz) (3/4,1/4,z+1/2;0,0,-mz) (1/4,-1/4,-z;0,0,mz) (1/4,-1/4,-z+1/2;0,0,-mz) (-1/4,1/4,z;0,0,mz) 8i (0,0,z;0,0,mz) (1/2,0,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) 8h (0,y,0;0,0,mz) (1/2,-y,1/2;0,0,-mz) (1/2,y,1/2;0,0,-mz) (0,-y,0;0,0,mz) 8g (x,0,0;0,0,mz) (x+1/2,0,1/2;0,0,-mz) (-x+1/2,0,1/2;0,0,-mz) (-x,0,0;0,0,mz) 8f (1/4,1/4,1/4;0,0,0) (-1/4,-1/4,-1/4;0,0,0) (3/4,1/4,3/4;0,0,0) (1/4,-1/4,1/4;0,0,0) 8e (1/4,1/4,0;0,0,mz) (3/4,-1/4,1/2;0,0,-mz) (3/4,1/4,1/2;0,0,-mz) (1/4,-1/4,0;0,0,mz) 8d (1/4,0,1/4;0,0,0) (3/4,0,1/4;0,0,0) (-1/4,0,-1/4;0,0,0) (1/4,0,3/4;0,0,0) 8c (0,1/4,1/4;0,0,0) (1/2,1/4,1/4;0,0,0) (0,-1/4,-1/4;0,0,0) (1/2,-1/4,3/4;0,0,0) 4b (0,0,1/2;0,0,mz) (1/2,0,0;0,0,-mz) 4a (0,0,0;0,0,mz) (1/2,0,1/2;0,0,-mz) ---------- UNI: 67.501 Cmma.1 BNS: 67.501 Cmma OG: 67.1.577 Cmma Operators: (1|0,0,0) (2x|0,0,0) (2y|1/2,0,0) (2z|1/2,0,0) (-1|0,0,0) (mx|0,0,0) (my|1/2,0,0) (mz|1/2,0,0) Wyckoff positions: (0,0,0)+ (1/2,1/2,0)+ 16o (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x+1/2,y,-z;-mx,my,-mz) (-x+1/2,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) 8n (x,1/4,z;0,my,0) (x,3/4,-z;0,-my,0) (-x+1/2,1/4,-z;0,my,0) (-x+1/2,3/4,z;0,-my,0) 8m (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (1/2,y,-z;-mx,0,0) (1/2,-y,z;-mx,0,0) 8l (1/4,0,z;0,0,mz) (1/4,0,-z;0,0,-mz) (3/4,0,-z;0,0,mz) (3/4,0,z;0,0,-mz) 8k (1/4,y,1/2;0,my,0) (1/4,-y,1/2;0,-my,0) (3/4,-y,1/2;0,my,0) (3/4,y,1/2;0,-my,0) 8j (1/4,y,0;0,my,0) (1/4,-y,0;0,-my,0) (3/4,-y,0;0,my,0) (3/4,y,0;0,-my,0) 8i (x,0,1/2;mx,0,0) (-x+1/2,0,1/2;-mx,0,0) (-x,0,1/2;mx,0,0) (x+1/2,0,1/2;-mx,0,0) 8h (x,0,0;mx,0,0) (-x+1/2,0,0;-mx,0,0) (-x,0,0;mx,0,0) (x+1/2,0,0;-mx,0,0) 4g (0,1/4,z;0,0,0) (0,3/4,-z;0,0,0) 4f (1/4,1/4,1/2;0,my,0) (1/4,3/4,1/2;0,-my,0) 4e (1/4,1/4,0;0,my,0) (1/4,3/4,0;0,-my,0) 4d (0,0,1/2;mx,0,0) (1/2,0,1/2;-mx,0,0) 4c (0,0,0;mx,0,0) (1/2,0,0;-mx,0,0) 4b (1/4,0,1/2;0,0,0) (3/4,0,1/2;0,0,0) 4a (1/4,0,0;0,0,0) (3/4,0,0;0,0,0) ---------- UNI: 67.502 Cmma.1' BNS: 67.502 Cmma1' OG: 67.2.578 Cmma1' Operators: (1|0,0,0) (2x|0,0,0) (2y|1/2,0,0) (2z|1/2,0,0) (-1|0,0,0) (mx|0,0,0) (my|1/2,0,0) (mz|1/2,0,0) (1|0,0,0)' (2x|0,0,0)' (2y|1/2,0,0)' (2z|1/2,0,0)' (-1|0,0,0)' (mx|0,0,0)' (my|1/2,0,0)' (mz|1/2,0,0)' Wyckoff positions: (0,0,0)+ (1/2,1/2,0)+ 16o (x,y,z;0,0,0) (x,-y,-z;0,0,0) (-x+1/2,y,-z;0,0,0) (-x+1/2,-y,z;0,0,0) (-x,-y,-z;0,0,0) (-x,y,z;0,0,0) (x+1/2,-y,z;0,0,0) (x+1/2,y,-z;0,0,0) 8n (x,1/4,z;0,0,0) (x,3/4,-z;0,0,0) (-x+1/2,1/4,-z;0,0,0) (-x+1/2,3/4,z;0,0,0) 8m (0,y,z;0,0,0) (0,-y,-z;0,0,0) (1/2,y,-z;0,0,0) (1/2,-y,z;0,0,0) 8l (1/4,0,z;0,0,0) (1/4,0,-z;0,0,0) (3/4,0,-z;0,0,0) (3/4,0,z;0,0,0) 8k (1/4,y,1/2;0,0,0) (1/4,-y,1/2;0,0,0) (3/4,-y,1/2;0,0,0) (3/4,y,1/2;0,0,0) 8j (1/4,y,0;0,0,0) (1/4,-y,0;0,0,0) (3/4,-y,0;0,0,0) (3/4,y,0;0,0,0) 8i (x,0,1/2;0,0,0) (-x+1/2,0,1/2;0,0,0) (-x,0,1/2;0,0,0) (x+1/2,0,1/2;0,0,0) 8h (x,0,0;0,0,0) (-x+1/2,0,0;0,0,0) (-x,0,0;0,0,0) (x+1/2,0,0;0,0,0) 4g (0,1/4,z;0,0,0) (0,3/4,-z;0,0,0) 4f (1/4,1/4,1/2;0,0,0) (1/4,3/4,1/2;0,0,0) 4e (1/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) 4d (0,0,1/2;0,0,0) (1/2,0,1/2;0,0,0) 4c (0,0,0;0,0,0) (1/2,0,0;0,0,0) 4b (1/4,0,1/2;0,0,0) (3/4,0,1/2;0,0,0) 4a (1/4,0,0;0,0,0) (3/4,0,0;0,0,0) ---------- UNI: 67.503 Cm'ma BNS: 67.503 Cm'ma OG: 67.3.579 Cm'ma Operators: (1|0,0,0) (2x|0,0,0) (2y|1/2,0,0)' (2z|1/2,0,0)' (-1|0,0,0)' (mx|0,0,0)' (my|1/2,0,0) (mz|1/2,0,0) Wyckoff positions: (0,0,0)+ (1/2,1/2,0)+ 16o (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x+1/2,y,-z;mx,-my,mz) (-x+1/2,-y,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x+1/2,-y,z;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) 8n (x,1/4,z;0,my,0) (x,3/4,-z;0,-my,0) (-x+1/2,1/4,-z;0,-my,0) (-x+1/2,3/4,z;0,my,0) 8m (0,y,z;0,my,mz) (0,-y,-z;0,-my,-mz) (1/2,y,-z;0,-my,mz) (1/2,-y,z;0,my,-mz) 8l (1/4,0,z;mx,my,0) (1/4,0,-z;mx,-my,0) (3/4,0,-z;-mx,-my,0) (3/4,0,z;-mx,my,0) 8k (1/4,y,1/2;mx,0,mz) (1/4,-y,1/2;mx,0,-mz) (3/4,-y,1/2;-mx,0,-mz) (3/4,y,1/2;-mx,0,mz) 8j (1/4,y,0;mx,0,mz) (1/4,-y,0;mx,0,-mz) (3/4,-y,0;-mx,0,-mz) (3/4,y,0;-mx,0,mz) 8i (x,0,1/2;mx,0,0) (-x+1/2,0,1/2;mx,0,0) (-x,0,1/2;-mx,0,0) (x+1/2,0,1/2;-mx,0,0) 8h (x,0,0;mx,0,0) (-x+1/2,0,0;mx,0,0) (-x,0,0;-mx,0,0) (x+1/2,0,0;-mx,0,0) 4g (0,1/4,z;0,my,0) (0,3/4,-z;0,-my,0) 4f (1/4,1/4,1/2;0,0,0) (1/4,3/4,1/2;0,0,0) 4e (1/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) 4d (0,0,1/2;0,0,0) (1/2,0,1/2;0,0,0) 4c (0,0,0;0,0,0) (1/2,0,0;0,0,0) 4b (1/4,0,1/2;mx,0,0) (3/4,0,1/2;-mx,0,0) 4a (1/4,0,0;mx,0,0) (3/4,0,0;-mx,0,0) ---------- UNI: 67.504 Cmma' BNS: 67.504 Cmma' OG: 67.4.580 Cmma' Operators: (1|0,0,0) (2x|0,0,0)' (2y|1/2,0,0)' (2z|1/2,0,0) (-1|0,0,0)' (mx|0,0,0) (my|1/2,0,0) (mz|1/2,0,0)' Wyckoff positions: (0,0,0)+ (1/2,1/2,0)+ 16o (x,y,z;mx,my,mz) (x,-y,-z;-mx,my,mz) (-x+1/2,y,-z;mx,-my,mz) (-x+1/2,-y,z;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x+1/2,y,-z;mx,my,-mz) 8n (x,1/4,z;0,my,0) (x,3/4,-z;0,my,0) (-x+1/2,1/4,-z;0,-my,0) (-x+1/2,3/4,z;0,-my,0) 8m (0,y,z;mx,0,0) (0,-y,-z;-mx,0,0) (1/2,y,-z;mx,0,0) (1/2,-y,z;-mx,0,0) 8l (1/4,0,z;0,0,mz) (1/4,0,-z;0,0,mz) (3/4,0,-z;0,0,-mz) (3/4,0,z;0,0,-mz) 8k (1/4,y,1/2;mx,0,mz) (1/4,-y,1/2;-mx,0,mz) (3/4,-y,1/2;-mx,0,-mz) (3/4,y,1/2;mx,0,-mz) 8j (1/4,y,0;mx,0,mz) (1/4,-y,0;-mx,0,mz) (3/4,-y,0;-mx,0,-mz) (3/4,y,0;mx,0,-mz) 8i (x,0,1/2;0,my,mz) (-x+1/2,0,1/2;0,-my,mz) (-x,0,1/2;0,-my,-mz) (x+1/2,0,1/2;0,my,-mz) 8h (x,0,0;0,my,mz) (-x+1/2,0,0;0,-my,mz) (-x,0,0;0,-my,-mz) (x+1/2,0,0;0,my,-mz) 4g (0,1/4,z;0,0,0) (0,3/4,-z;0,0,0) 4f (1/4,1/4,1/2;0,0,0) (1/4,3/4,1/2;0,0,0) 4e (1/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) 4d (0,0,1/2;0,0,0) (1/2,0,1/2;0,0,0) 4c (0,0,0;0,0,0) (1/2,0,0;0,0,0) 4b (1/4,0,1/2;0,0,mz) (3/4,0,1/2;0,0,-mz) 4a (1/4,0,0;0,0,mz) (3/4,0,0;0,0,-mz) ---------- UNI: 67.505 Cm'm'a BNS: 67.505 Cm'm'a OG: 67.5.581 Cm'm'a Operators: (1|0,0,0) (2x|0,0,0)' (2y|1/2,0,0)' (2z|1/2,0,0) (-1|0,0,0) (mx|0,0,0)' (my|1/2,0,0)' (mz|1/2,0,0) Wyckoff positions: (0,0,0)+ (1/2,1/2,0)+ 16o (x,y,z;mx,my,mz) (x,-y,-z;-mx,my,mz) (-x+1/2,y,-z;mx,-my,mz) (-x+1/2,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) (x+1/2,y,-z;-mx,-my,mz) 8n (x,1/4,z;mx,0,mz) (x+1/2,1/4,-z;-mx,0,mz) (-x,3/4,-z;mx,0,mz) (-x+1/2,3/4,z;-mx,0,mz) 8m (0,y,z;0,my,mz) (0,-y,-z;0,my,mz) (1/2,y,-z;0,-my,mz) (1/2,-y,z;0,-my,mz) 8l (1/4,0,z;0,0,mz) (1/4,0,-z;0,0,mz) (3/4,0,-z;0,0,mz) (3/4,0,z;0,0,mz) 8k (1/4,y,1/2;mx,0,mz) (1/4,-y,1/2;-mx,0,mz) (3/4,-y,1/2;mx,0,mz) (3/4,y,1/2;-mx,0,mz) 8j (1/4,y,0;mx,0,mz) (1/4,-y,0;-mx,0,mz) (3/4,-y,0;mx,0,mz) (3/4,y,0;-mx,0,mz) 8i (x,0,1/2;0,my,mz) (-x+1/2,0,1/2;0,-my,mz) (-x,0,1/2;0,my,mz) (x+1/2,0,1/2;0,-my,mz) 8h (x,0,0;0,my,mz) (-x+1/2,0,0;0,-my,mz) (-x,0,0;0,my,mz) (x+1/2,0,0;0,-my,mz) 4g (0,1/4,z;0,0,mz) (0,3/4,-z;0,0,mz) 4f (1/4,1/4,1/2;mx,0,mz) (1/4,3/4,1/2;-mx,0,mz) 4e (1/4,1/4,0;mx,0,mz) (1/4,3/4,0;-mx,0,mz) 4d (0,0,1/2;0,my,mz) (1/2,0,1/2;0,-my,mz) 4c (0,0,0;0,my,mz) (1/2,0,0;0,-my,mz) 4b (1/4,0,1/2;0,0,mz) (3/4,0,1/2;0,0,mz) 4a (1/4,0,0;0,0,mz) (3/4,0,0;0,0,mz) ---------- UNI: 67.506 Cmm'a' BNS: 67.506 Cmm'a' OG: 67.6.582 Cmm'a' Operators: (1|0,0,0) (2x|0,0,0) (2y|1/2,0,0)' (2z|1/2,0,0)' (-1|0,0,0) (mx|0,0,0) (my|1/2,0,0)' (mz|1/2,0,0)' Wyckoff positions: (0,0,0)+ (1/2,1/2,0)+ 16o (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x+1/2,y,-z;mx,-my,mz) (-x+1/2,-y,z;mx,my,-mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x+1/2,-y,z;mx,-my,mz) (x+1/2,y,-z;mx,my,-mz) 8n (x,1/4,z;mx,0,mz) (x,3/4,-z;mx,0,-mz) (-x,3/4,-z;mx,0,mz) (-x,1/4,z;mx,0,-mz) 8m (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (1/2,y,-z;mx,0,0) (1/2,-y,z;mx,0,0) 8l (1/4,0,z;mx,my,0) (1/4,0,-z;mx,-my,0) (3/4,0,-z;mx,my,0) (3/4,0,z;mx,-my,0) 8k (1/4,y,1/2;mx,0,mz) (1/4,-y,1/2;mx,0,-mz) (3/4,-y,1/2;mx,0,mz) (3/4,y,1/2;mx,0,-mz) 8j (1/4,y,0;mx,0,mz) (1/4,-y,0;mx,0,-mz) (3/4,-y,0;mx,0,mz) (3/4,y,0;mx,0,-mz) 8i (x,0,1/2;mx,0,0) (-x+1/2,0,1/2;mx,0,0) (-x,0,1/2;mx,0,0) (x+1/2,0,1/2;mx,0,0) 8h (x,0,0;mx,0,0) (-x+1/2,0,0;mx,0,0) (-x,0,0;mx,0,0) (x+1/2,0,0;mx,0,0) 4g (0,1/4,z;mx,0,0) (0,3/4,-z;mx,0,0) 4f (1/4,1/4,1/2;mx,0,mz) (1/4,3/4,1/2;mx,0,-mz) 4e (1/4,1/4,0;mx,0,mz) (1/4,3/4,0;mx,0,-mz) 4d (0,0,1/2;mx,0,0) (1/2,0,1/2;mx,0,0) 4c (0,0,0;mx,0,0) (1/2,0,0;mx,0,0) 4b (1/4,0,1/2;mx,0,0) (3/4,0,1/2;mx,0,0) 4a (1/4,0,0;mx,0,0) (3/4,0,0;mx,0,0) ---------- UNI: 67.507 Cm'm'a' BNS: 67.507 Cm'm'a' OG: 67.7.583 Cm'm'a' Operators: (1|0,0,0) (2x|0,0,0) (2y|1/2,0,0) (2z|1/2,0,0) (-1|0,0,0)' (mx|0,0,0)' (my|1/2,0,0)' (mz|1/2,0,0)' Wyckoff positions: (0,0,0)+ (1/2,1/2,0)+ 16o (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x+1/2,y,-z;-mx,my,-mz) (-x+1/2,-y,z;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) (x+1/2,y,-z;mx,my,-mz) 8n (x,1/4,z;mx,0,mz) (x,3/4,-z;mx,0,-mz) (-x+1/2,1/4,-z;-mx,0,-mz) (-x+1/2,3/4,z;-mx,0,mz) 8m (0,y,z;0,my,mz) (0,-y,-z;0,-my,-mz) (1/2,y,-z;0,my,-mz) (1/2,-y,z;0,-my,mz) 8l (1/4,0,z;0,0,mz) (1/4,0,-z;0,0,-mz) (3/4,0,-z;0,0,-mz) (3/4,0,z;0,0,mz) 8k (1/4,y,1/2;0,my,0) (1/4,-y,1/2;0,-my,0) (3/4,-y,1/2;0,-my,0) (3/4,y,1/2;0,my,0) 8j (1/4,y,0;0,my,0) (1/4,-y,0;0,-my,0) (3/4,-y,0;0,-my,0) (3/4,y,0;0,my,0) 8i (x,0,1/2;mx,0,0) (-x+1/2,0,1/2;-mx,0,0) (-x,0,1/2;-mx,0,0) (x+1/2,0,1/2;mx,0,0) 8h (x,0,0;mx,0,0) (-x+1/2,0,0;-mx,0,0) (-x,0,0;-mx,0,0) (x+1/2,0,0;mx,0,0) 4g (0,1/4,z;0,0,mz) (0,3/4,-z;0,0,-mz) 4f (1/4,1/4,1/2;0,0,0) (1/4,3/4,1/2;0,0,0) 4e (1/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) 4d (0,0,1/2;0,0,0) (1/2,0,1/2;0,0,0) 4c (0,0,0;0,0,0) (1/2,0,0;0,0,0) 4b (1/4,0,1/2;0,0,0) (3/4,0,1/2;0,0,0) 4a (1/4,0,0;0,0,0) (3/4,0,0;0,0,0) ---------- UNI: 67.508 Cmma.1'_c[Cmma] BNS: 67.508 C_cmma OG: 67.8.584 C_2cmma OG-BNS transformation: (0,0,0;a,b,2c) Operators (BNS): (1|0,0,0) (2x|0,0,0) (2y|1/2,0,0) (2z|1/2,0,0) (-1|0,0,0) (mx|0,0,0) (my|1/2,0,0) (mz|1/2,0,0) (1|0,0,1/2)' (2x|0,0,1/2)' (2y|1/2,0,1/2)' (2z|1/2,0,1/2)' (-1|0,0,1/2)' (mx|0,0,1/2)' (my|1/2,0,1/2)' (mz|1/2,0,1/2)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,0)+ 32o (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x+1/2,y,-z;-mx,my,-mz) (-x+1/2,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) (x,y,z+1/2;-mx,-my,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x,-y,-z+1/2;-mx,-my,-mz) (-x,y,z+1/2;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) (x+1/2,y,-z+1/2;mx,my,-mz) 16n (x,1/4,z;0,my,0) (x,3/4,-z;0,-my,0) (-x+1/2,1/4,-z;0,my,0) (-x+1/2,3/4,z;0,-my,0) (x,1/4,z+1/2;0,-my,0) (x,3/4,-z+1/2;0,my,0) (-x+1/2,1/4,-z+1/2;0,-my,0) (-x+1/2,3/4,z+1/2;0,my,0) 16m (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (1/2,y,-z;-mx,0,0) (1/2,-y,z;-mx,0,0) (0,y,z+1/2;-mx,0,0) (0,-y,-z+1/2;-mx,0,0) (1/2,y,-z+1/2;mx,0,0) (1/2,-y,z+1/2;mx,0,0) 16l (1/4,0,z;0,0,mz) (1/4,0,-z;0,0,-mz) (3/4,0,-z;0,0,mz) (3/4,0,z;0,0,-mz) (1/4,0,z+1/2;0,0,-mz) (1/4,0,-z+1/2;0,0,mz) (3/4,0,-z+1/2;0,0,-mz) (3/4,0,z+1/2;0,0,mz) 16k (1/4,y,1/4;mx,0,mz) (1/4,-y,3/4;mx,0,-mz) (1/4,y,3/4;-mx,0,-mz) (1/4,-y,1/4;-mx,0,mz) (3/4,-y,3/4;mx,0,mz) (3/4,y,1/4;mx,0,-mz) (3/4,-y,1/4;-mx,0,-mz) (3/4,y,3/4;-mx,0,mz) 16j (1/4,y,0;0,my,0) (1/4,-y,0;0,-my,0) (3/4,-y,0;0,my,0) (3/4,y,0;0,-my,0) (1/4,y,1/2;0,-my,0) (1/4,-y,1/2;0,my,0) (3/4,-y,1/2;0,-my,0) (3/4,y,1/2;0,my,0) 16i (x,0,1/4;0,my,mz) (x,0,3/4;0,-my,-mz) (-x+1/2,0,3/4;0,my,-mz) (-x+1/2,0,1/4;0,-my,mz) (-x,0,3/4;0,my,mz) (-x,0,1/4;0,-my,-mz) (x+1/2,0,1/4;0,my,-mz) (x+1/2,0,3/4;0,-my,mz) 16h (x,0,0;mx,0,0) (-x+1/2,0,0;-mx,0,0) (-x,0,0;mx,0,0) (x+1/2,0,0;-mx,0,0) (x,0,1/2;-mx,0,0) (-x+1/2,0,1/2;mx,0,0) (-x,0,1/2;-mx,0,0) (x+1/2,0,1/2;mx,0,0) 8g (0,1/4,z;0,0,0) (0,3/4,-z;0,0,0) (0,1/4,z+1/2;0,0,0) (0,3/4,-z+1/2;0,0,0) 8f (1/4,1/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) (1/4,1/4,3/4;0,0,0) (1/4,3/4,1/4;0,0,0) 8e (1/4,1/4,0;0,my,0) (1/4,3/4,0;0,-my,0) (1/4,1/4,1/2;0,-my,0) (1/4,3/4,1/2;0,my,0) 8d (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) (1/2,0,3/4;0,0,0) (1/2,0,1/4;0,0,0) 8c (0,0,0;mx,0,0) (1/2,0,0;-mx,0,0) (0,0,1/2;-mx,0,0) (1/2,0,1/2;mx,0,0) 8b (1/4,0,1/4;0,0,mz) (1/4,0,3/4;0,0,-mz) (3/4,0,3/4;0,0,mz) (3/4,0,1/4;0,0,-mz) 8a (1/4,0,0;0,0,0) (3/4,0,0;0,0,0) (1/4,0,1/2;0,0,0) (3/4,0,1/2;0,0,0) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|1/2,0,0) (2z|1/2,0,0) (-1|0,0,0) (mx|0,0,0) (my|1/2,0,0) (mz|1/2,0,0) (1|0,0,1)' (2x|0,0,1)' (2y|1/2,0,1)' (2z|1/2,0,1)' (-1|0,0,1)' (mx|0,0,1)' (my|1/2,0,1)' (mz|1/2,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ (1/2,1/2,0)+ 32o (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x+1/2,y,-z;-mx,my,-mz) (-x+1/2,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) (x,y,z+1;-mx,-my,-mz) (x,-y,-z+1;-mx,my,mz) (-x+1/2,y,-z+1;mx,-my,mz) (-x+1/2,-y,z+1;mx,my,-mz) (-x,-y,-z+1;-mx,-my,-mz) (-x,y,z+1;-mx,my,mz) (x+1/2,-y,z+1;mx,-my,mz) (x+1/2,y,-z+1;mx,my,-mz) 16n (x,1/4,z;0,my,0) (x,-1/4,-z;0,-my,0) (-x+1/2,1/4,-z;0,my,0) (-x+1/2,-1/4,z;0,-my,0) (x,1/4,z+1;0,-my,0) (x,-1/4,-z+1;0,my,0) (-x+1/2,1/4,-z+1;0,-my,0) (-x+1/2,-1/4,z+1;0,my,0) 16m (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (1/2,y,-z;-mx,0,0) (1/2,-y,z;-mx,0,0) (0,y,z+1;-mx,0,0) (0,-y,-z+1;-mx,0,0) (1/2,y,-z+1;mx,0,0) (1/2,-y,z+1;mx,0,0) 16l (1/4,0,z;0,0,mz) (1/4,0,-z;0,0,-mz) (-1/4,0,-z;0,0,mz) (-1/4,0,z;0,0,-mz) (1/4,0,z+1;0,0,-mz) (1/4,0,-z+1;0,0,mz) (-1/4,0,-z+1;0,0,-mz) (-1/4,0,z+1;0,0,mz) 16k (1/4,y,1/2;mx,0,mz) (1/4,-y,-1/2;mx,0,-mz) (1/4,y,-1/2;-mx,0,-mz) (1/4,-y,1/2;-mx,0,mz) (-1/4,-y,-1/2;mx,0,mz) (-1/4,y,1/2;mx,0,-mz) (3/4,-y,1/2;-mx,0,-mz) (3/4,y,-1/2;-mx,0,mz) 16j (1/4,y,0;0,my,0) (1/4,-y,0;0,-my,0) (-1/4,-y,0;0,my,0) (-1/4,y,0;0,-my,0) (1/4,y,1;0,-my,0) (1/4,-y,1;0,my,0) (-1/4,-y,1;0,-my,0) (-1/4,y,1;0,my,0) 16i (x,0,1/2;0,my,mz) (x,0,-1/2;0,-my,-mz) (-x+1/2,0,-1/2;0,my,-mz) (-x+1/2,0,1/2;0,-my,mz) (-x,0,-1/2;0,my,mz) (-x,0,1/2;0,-my,-mz) (x+1/2,0,1/2;0,my,-mz) (x+1/2,0,-1/2;0,-my,mz) 16h (x,0,0;mx,0,0) (-x+1/2,0,0;-mx,0,0) (-x,0,0;mx,0,0) (x+1/2,0,0;-mx,0,0) (x,0,1;-mx,0,0) (-x+1/2,0,1;mx,0,0) (-x,0,1;-mx,0,0) (x+1/2,0,1;mx,0,0) 8g (0,1/4,z;0,0,0) (0,-1/4,-z;0,0,0) (0,1/4,z+1;0,0,0) (0,-1/4,-z+1;0,0,0) 8f (1/4,1/4,1/2;0,0,0) (1/4,-1/4,-1/2;0,0,0) (1/4,1/4,-1/2;0,0,0) (1/4,-1/4,1/2;0,0,0) 8e (1/4,1/4,0;0,my,0) (1/4,-1/4,0;0,-my,0) (1/4,1/4,1;0,-my,0) (1/4,-1/4,1;0,my,0) 8d (0,0,1/2;0,0,0) (0,0,-1/2;0,0,0) (1/2,0,-1/2;0,0,0) (1/2,0,1/2;0,0,0) 8c (0,0,0;mx,0,0) (1/2,0,0;-mx,0,0) (0,0,1;-mx,0,0) (1/2,0,1;mx,0,0) 8b (1/4,0,1/2;0,0,mz) (1/4,0,-1/2;0,0,-mz) (-1/4,0,-1/2;0,0,mz) (-1/4,0,1/2;0,0,-mz) 8a (1/4,0,0;0,0,0) (-1/4,0,0;0,0,0) (1/4,0,1;0,0,0) (-1/4,0,1;0,0,0) ---------- UNI: 67.509 Cmma.1'_a[Pmmm] BNS: 67.509 C_amma OG: 47.11.357 P_Cmmm' OG-BNS transformation: (1/2,0,0;2b,-2a,c) Operators (BNS): (1|0,0,0) (2x|0,0,0) (2y|1/2,0,0) (2z|1/2,0,0) (-1|0,0,0) (mx|0,0,0) (my|1/2,0,0) (mz|1/2,0,0) (1|1/2,0,0)' (2x|1/2,0,0)' (2y|0,0,0)' (2z|0,0,0)' (-1|1/2,0,0)' (mx|1/2,0,0)' (my|0,0,0)' (mz|0,0,0)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,0)+ 32alpha (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x+1/2,y,-z;-mx,my,-mz) (-x+1/2,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) (x+1/2,y,z;-mx,-my,-mz) (x+1/2,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z;mx,my,-mz) (-x+1/2,-y,-z;-mx,-my,-mz) (-x+1/2,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x,y,-z;mx,my,-mz) 16z (x,y,1/2;mx,my,0) (x,-y,1/2;mx,-my,0) (-x+1/2,y,1/2;-mx,my,0) (-x+1/2,-y,1/2;-mx,-my,0) (-x,-y,1/2;mx,my,0) (-x,y,1/2;mx,-my,0) (x+1/2,-y,1/2;-mx,my,0) (x+1/2,y,1/2;-mx,-my,0) 16y (x,y,0;mx,my,0) (x,-y,0;mx,-my,0) (-x+1/2,y,0;-mx,my,0) (-x+1/2,-y,0;-mx,-my,0) (-x,-y,0;mx,my,0) (-x,y,0;mx,-my,0) (x+1/2,-y,0;-mx,my,0) (x+1/2,y,0;-mx,-my,0) 16x (1/4,y,z;0,my,mz) (1/4,-y,-z;0,-my,-mz) (1/4,y,-z;0,my,-mz) (1/4,-y,z;0,-my,mz) (3/4,-y,-z;0,my,mz) (3/4,y,z;0,-my,-mz) (3/4,-y,z;0,my,-mz) (3/4,y,-z;0,-my,mz) 16w (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (1/2,y,-z;-mx,0,0) (1/2,-y,z;-mx,0,0) (1/2,y,z;-mx,0,0) (1/2,-y,-z;-mx,0,0) (0,y,-z;mx,0,0) (0,-y,z;mx,0,0) 16v (x,0,z;mx,0,mz) (x,0,-z;mx,0,-mz) (-x+1/2,0,-z;-mx,0,-mz) (-x+1/2,0,z;-mx,0,mz) (-x,0,-z;mx,0,mz) (-x,0,z;mx,0,-mz) (x+1/2,0,z;-mx,0,-mz) (x+1/2,0,-z;-mx,0,mz) 16u (x,1/4,z;0,my,0) (x,3/4,-z;0,-my,0) (-x+1/2,1/4,-z;0,my,0) (-x+1/2,3/4,z;0,-my,0) (x+1/2,1/4,z;0,-my,0) (x+1/2,3/4,-z;0,my,0) (-x,1/4,-z;0,-my,0) (-x,3/4,z;0,my,0) 8t (1/4,0,z;0,0,mz) (1/4,0,-z;0,0,-mz) (3/4,0,-z;0,0,mz) (3/4,0,z;0,0,-mz) 8s (0,0,z;mx,0,0) (0,0,-z;mx,0,0) (1/2,0,-z;-mx,0,0) (1/2,0,z;-mx,0,0) 8r (1/4,1/4,z;0,my,0) (1/4,3/4,-z;0,-my,0) (1/4,1/4,-z;0,my,0) (1/4,3/4,z;0,-my,0) 8q (0,1/4,z;0,0,0) (0,3/4,-z;0,0,0) (1/2,1/4,z;0,0,0) (1/2,3/4,-z;0,0,0) 8p (x,0,1/2;mx,0,0) (-x+1/2,0,1/2;-mx,0,0) (-x,0,1/2;mx,0,0) (x+1/2,0,1/2;-mx,0,0) 8o (x,0,0;mx,0,0) (-x+1/2,0,0;-mx,0,0) (-x,0,0;mx,0,0) (x+1/2,0,0;-mx,0,0) 8n (x,1/4,1/2;0,my,0) (x,3/4,1/2;0,-my,0) (-x+1/2,1/4,1/2;0,my,0) (-x+1/2,3/4,1/2;0,-my,0) 8m (x,1/4,0;0,my,0) (x,3/4,0;0,-my,0) (-x+1/2,1/4,0;0,my,0) (-x+1/2,3/4,0;0,-my,0) 8l (1/4,y,1/2;0,my,0) (1/4,-y,1/2;0,-my,0) (3/4,-y,1/2;0,my,0) (3/4,y,1/2;0,-my,0) 8k (1/4,y,0;0,my,0) (1/4,-y,0;0,-my,0) (3/4,-y,0;0,my,0) (3/4,y,0;0,-my,0) 8j (0,y,1/2;mx,0,0) (0,-y,1/2;mx,0,0) (1/2,y,1/2;-mx,0,0) (1/2,-y,1/2;-mx,0,0) 8i (0,y,0;mx,0,0) (0,-y,0;mx,0,0) (1/2,y,0;-mx,0,0) (1/2,-y,0;-mx,0,0) 4h (1/4,0,1/2;0,0,0) (3/4,0,1/2;0,0,0) 4g (1/4,1/4,1/2;0,my,0) (1/4,3/4,1/2;0,-my,0) 4f (1/4,0,0;0,0,0) (3/4,0,0;0,0,0) 4e (1/4,1/4,0;0,my,0) (1/4,3/4,0;0,-my,0) 4d (0,0,1/2;mx,0,0) (1/2,0,1/2;-mx,0,0) 4c (0,1/4,1/2;0,0,0) (0,3/4,1/2;0,0,0) 4b (0,0,0;mx,0,0) (1/2,0,0;-mx,0,0) 4a (0,1/4,0;0,0,0) (0,3/4,0;0,0,0) Operators (OG): (1|0,0,0) (2y|0,1,0) (2x|0,1,0) (2z|0,0,0) (-1|0,1,0) (my|0,0,0) (mx|0,0,0) (mz|0,1,0) (1|0,1,0)' (2y|0,0,0)' (2x|0,0,0)' (2z|0,1,0)' (-1|0,0,0)' (my|0,1,0)' (mx|0,1,0)' (mz|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (0,2,0)+ (-2,0,0)+ (0,0,1)+ (-1,1,0)+ 32alpha (x,y,z;mx,my,mz) (-x,y+1,-z;-mx,my,-mz) (x,-y+1,-z;mx,-my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y+1,-z;mx,my,mz) (x,-y,z;-mx,my,-mz) (-x,y,z;mx,-my,-mz) (x,y+1,-z;-mx,-my,mz) (x,y+1,z;-mx,-my,-mz) (-x,y,-z;mx,-my,mz) (x,-y,-z;-mx,my,mz) (-x,-y+1,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (x,-y+1,z;mx,-my,mz) (-x,y+1,z;-mx,my,mz) (x,y,-z;mx,my,-mz) 16z (x,y,1/2;mx,my,0) (-x,y+1,-1/2;-mx,my,0) (x,-y+1,-1/2;mx,-my,0) (-x,-y,1/2;-mx,-my,0) (-x,-y+1,-1/2;mx,my,0) (x,-y,1/2;-mx,my,0) (-x,y,1/2;mx,-my,0) (x,y+1,-1/2;-mx,-my,0) 16y (x,y,0;mx,my,0) (-x,y+1,0;-mx,my,0) (x,-y+1,0;mx,-my,0) (-x,-y,0;-mx,-my,0) (-x,-y+1,0;mx,my,0) (x,-y,0;-mx,my,0) (-x,y,0;mx,-my,0) (x,y+1,0;-mx,-my,0) 16x (x,1/2,z;mx,0,mz) (-x,3/2,-z;-mx,0,-mz) (x,1/2,-z;mx,0,-mz) (-x,-1/2,z;-mx,0,mz) (-x,1/2,-z;mx,0,mz) (x,-1/2,z;-mx,0,-mz) (-x,1/2,z;mx,0,-mz) (x,3/2,-z;-mx,0,mz) 16w (x,0,z;0,my,0) (-x,1,-z;0,my,0) (x,1,-z;0,-my,0) (-x,0,z;0,-my,0) (x,1,z;0,-my,0) (-x,0,-z;0,-my,0) (x,0,-z;0,my,0) (-x,1,z;0,my,0) 16v (1/2,y,z;0,my,mz) (-1/2,y+1,-z;0,my,-mz) (1/2,-y+1,-z;0,-my,-mz) (-1/2,-y,z;0,-my,mz) (-1/2,-y+1,-z;0,my,mz) (1/2,-y,z;0,my,-mz) (-1/2,y,z;0,-my,-mz) (1/2,y+1,-z;0,-my,mz) 16u (0,y,z;mx,0,0) (0,y+1,-z;-mx,0,0) (0,-y+1,-z;mx,0,0) (0,-y,z;-mx,0,0) (0,y+1,z;-mx,0,0) (0,y,-z;mx,0,0) (0,-y,-z;-mx,0,0) (0,-y+1,z;mx,0,0) 8t (1/2,1/2,z;0,0,mz) (-1/2,3/2,-z;0,0,-mz) (-1/2,1/2,-z;0,0,mz) (1/2,-1/2,z;0,0,-mz) 8s (1/2,0,z;0,my,0) (-1/2,1,-z;0,my,0) (1/2,1,-z;0,-my,0) (-1/2,0,z;0,-my,0) 8r (0,1/2,z;mx,0,0) (0,3/2,-z;-mx,0,0) (0,1/2,-z;mx,0,0) (0,-1/2,z;-mx,0,0) 8q (0,0,z;0,0,0) (0,1,-z;0,0,0) (0,1,z;0,0,0) (0,0,-z;0,0,0) 8p (1/2,y,1/2;0,my,0) (1/2,-y+1,-1/2;0,-my,0) (-1/2,-y+1,-1/2;0,my,0) (-1/2,y,1/2;0,-my,0) 8o (1/2,y,0;0,my,0) (1/2,-y+1,0;0,-my,0) (-1/2,-y+1,0;0,my,0) (-1/2,y,0;0,-my,0) 8n (0,y,1/2;mx,0,0) (0,y+1,-1/2;-mx,0,0) (0,-y+1,-1/2;mx,0,0) (0,-y,1/2;-mx,0,0) 8m (0,y,0;mx,0,0) (0,y+1,0;-mx,0,0) (0,-y+1,0;mx,0,0) (0,-y,0;-mx,0,0) 8l (x,1/2,1/2;mx,0,0) (-x,3/2,-1/2;-mx,0,0) (-x,1/2,-1/2;mx,0,0) (x,-1/2,1/2;-mx,0,0) 8k (x,1/2,0;mx,0,0) (-x,3/2,0;-mx,0,0) (-x,1/2,0;mx,0,0) (x,-1/2,0;-mx,0,0) 8j (x,0,1/2;0,my,0) (-x,1,-1/2;0,my,0) (x,1,-1/2;0,-my,0) (-x,0,1/2;0,-my,0) 8i (x,0,0;0,my,0) (-x,1,0;0,my,0) (x,1,0;0,-my,0) (-x,0,0;0,-my,0) 4h (1/2,1/2,1/2;0,0,0) (-1/2,1/2,-1/2;0,0,0) 4g (0,1/2,1/2;mx,0,0) (0,3/2,-1/2;-mx,0,0) 4f (1/2,1/2,0;0,0,0) (-1/2,1/2,0;0,0,0) 4e (0,1/2,0;mx,0,0) (0,3/2,0;-mx,0,0) 4d (1/2,0,1/2;0,my,0) (1/2,1,-1/2;0,-my,0) 4c (0,0,1/2;0,0,0) (0,1,-1/2;0,0,0) 4b (1/2,0,0;0,my,0) (1/2,1,0;0,-my,0) 4a (0,0,0;0,0,0) (0,1,0;0,0,0) ---------- UNI: 67.510 Cmma.1'_A[Fmmm] BNS: 67.510 C_Amma OG: 69.8.612 F_Cmmm' OG-BNS transformation: (1/4,0,1/4;b,-a,c) Operators (BNS): (1|0,0,0) (2x|0,0,0) (2y|1/2,0,0) (2z|1/2,0,0) (-1|0,0,0) (mx|0,0,0) (my|1/2,0,0) (mz|1/2,0,0) (1|0,1/2,1/2)' (2x|1/2,0,1/2)' (2y|0,0,1/2)' (2z|0,0,1/2)' (-1|1/2,0,1/2)' (mx|1/2,0,1/2)' (my|0,0,1/2)' (mz|0,0,1/2)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,0)+ 32p (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x+1/2,y,-z;-mx,my,-mz) (-x+1/2,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (x+1/2,-y,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,z+1/2;mx,my,-mz) (-x+1/2,-y,-z+1/2;-mx,-my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (x,y,-z+1/2;mx,my,-mz) 16o (x,y,3/4;mx,my,0) (x,-y,1/4;mx,-my,0) (-x+1/2,y,1/4;-mx,my,0) (-x+1/2,-y,3/4;-mx,-my,0) (-x,-y,1/4;mx,my,0) (-x,y,3/4;mx,-my,0) (x+1/2,-y,3/4;-mx,my,0) (x+1/2,y,1/4;-mx,-my,0) 16n (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (1/2,y,-z;-mx,0,0) (1/2,-y,z;-mx,0,0) (0,y+1/2,z+1/2;-mx,0,0) (1/2,-y,-z+1/2;-mx,0,0) (0,y,-z+1/2;mx,0,0) (0,-y,z+1/2;mx,0,0) 16m (x,1/4,z;0,my,0) (x,3/4,-z;0,-my,0) (-x+1/2,1/4,-z;0,my,0) (-x+1/2,3/4,z;0,-my,0) (x,3/4,z+1/2;0,-my,0) (x+1/2,3/4,-z+1/2;0,my,0) (-x,1/4,-z+1/2;0,-my,0) (-x,3/4,z+1/2;0,my,0) 16l (1/4,y,0;0,my,0) (1/4,-y,0;0,-my,0) (3/4,-y,0;0,my,0) (3/4,y,0;0,-my,0) (1/4,y+1/2,1/2;0,-my,0) (3/4,-y,1/2;0,my,0) (1/4,-y,1/2;0,-my,0) (1/4,y,1/2;0,my,0) 16k (x,0,0;mx,0,0) (-x+1/2,0,0;-mx,0,0) (-x,0,0;mx,0,0) (x+1/2,0,0;-mx,0,0) (x,1/2,1/2;-mx,0,0) (-x,0,1/2;mx,0,0) (-x+1/2,0,1/2;-mx,0,0) (x,0,1/2;mx,0,0) 16j (1/4,0,z;0,0,mz) (1/4,0,-z;0,0,-mz) (3/4,0,-z;0,0,mz) (3/4,0,z;0,0,-mz) (1/4,1/2,z+1/2;0,0,-mz) (3/4,0,-z+1/2;0,0,mz) (1/4,0,-z+1/2;0,0,-mz) (1/4,0,z+1/2;0,0,mz) 8i (0,1/4,z;0,0,0) (0,3/4,-z;0,0,0) (0,3/4,z+1/2;0,0,0) (1/2,3/4,-z+1/2;0,0,0) 8h (x,1/4,3/4;0,my,0) (x,3/4,1/4;0,-my,0) (-x+1/2,1/4,1/4;0,my,0) (-x+1/2,3/4,3/4;0,-my,0) 8g (0,y,3/4;mx,0,0) (0,-y,1/4;mx,0,0) (1/2,y,1/4;-mx,0,0) (1/2,-y,3/4;-mx,0,0) 8f (1/4,0,0;0,0,0) (3/4,0,0;0,0,0) (1/4,1/2,1/2;0,0,0) (1/4,0,1/2;0,0,0) 8e (1/4,0,3/4;0,0,0) (1/4,0,1/4;0,0,0) (3/4,0,1/4;0,0,0) (3/4,0,3/4;0,0,0) 8d (0,0,0;mx,0,0) (1/2,0,0;-mx,0,0) (0,1/2,1/2;-mx,0,0) (0,0,1/2;mx,0,0) 8c (1/4,1/4,0;0,my,0) (1/4,3/4,0;0,-my,0) (1/4,3/4,1/2;0,-my,0) (3/4,3/4,1/2;0,my,0) 4b (0,1/4,1/4;0,0,0) (0,3/4,3/4;0,0,0) 4a (0,1/4,3/4;0,0,0) (0,3/4,1/4;0,0,0) Operators (OG): (1|0,0,0) (2y|0,1/2,1/2) (2x|0,1/2,1/2) (2z|0,0,0) (-1|0,1/2,1/2) (my|0,0,0) (mx|0,0,0) (mz|0,1/2,1/2) (1|0,1/2,1/2)' (2y|0,0,0)' (2x|0,0,0)' (2z|0,1/2,1/2)' (-1|0,0,0)' (my|0,1/2,1/2)' (mx|0,1/2,1/2)' (mz|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (0,1,0)+ (-1,0,0)+ (0,0,1)+ (-1/2,1/2,0)+ 32p (x,y,z;mx,my,mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (x,-y+1/2,-z+1/2;mx,-my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y+1/2,-z+1/2;mx,my,mz) (x,-y,z;-mx,my,-mz) (-x,y,z;mx,-my,-mz) (x,y+1/2,-z+1/2;-mx,-my,mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (-x,y,-z;mx,-my,mz) (x,-y,-z;-mx,my,mz) (-x,-y+1/2,z+1/2;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (x,-y+1/2,z+1/2;mx,-my,mz) (-x,y+1/2,z+1/2;-mx,my,mz) (x,y,-z;mx,my,-mz) 16o (x,y,0;mx,my,0) (-x,y+1/2,1/2;-mx,my,0) (x,-y+1/2,1/2;mx,-my,0) (-x,-y,0;-mx,-my,0) (-x,-y+1/2,1/2;mx,my,0) (x,-y,0;-mx,my,0) (-x,y,0;mx,-my,0) (x,y+1/2,1/2;-mx,-my,0) 16n (x,0,z;0,my,0) (-x,1/2,-z+1/2;0,my,0) (x,1/2,-z+1/2;0,-my,0) (-x,0,z;0,-my,0) (x,1/2,z+1/2;0,-my,0) (-x,0,-z;0,-my,0) (x,0,-z;0,my,0) (-x,1/2,z+1/2;0,my,0) 16m (0,y,z;mx,0,0) (0,y+1/2,-z+1/2;-mx,0,0) (0,-y+1/2,-z+1/2;mx,0,0) (0,-y,z;-mx,0,0) (0,y+1/2,z+1/2;-mx,0,0) (0,y,-z;mx,0,0) (0,-y,-z;-mx,0,0) (0,-y+1/2,z+1/2;mx,0,0) 16l (x,1/4,1/4;mx,0,0) (-x,3/4,1/4;-mx,0,0) (-x,1/4,1/4;mx,0,0) (x,-1/4,1/4;-mx,0,0) (x,3/4,3/4;-mx,0,0) (-x,1/4,-1/4;mx,0,0) (-x,-1/4,-1/4;-mx,0,0) (x,1/4,3/4;mx,0,0) 16k (1/4,y,1/4;0,my,0) (1/4,-y+1/2,1/4;0,-my,0) (-1/4,-y+1/2,1/4;0,my,0) (-1/4,y,1/4;0,-my,0) (1/4,y+1/2,3/4;0,-my,0) (1/4,-y,-1/4;0,my,0) (-1/4,-y,-1/4;0,-my,0) (-1/4,y+1/2,3/4;0,my,0) 16j (1/4,1/4,z;0,0,mz) (-1/4,3/4,-z+1/2;0,0,-mz) (-1/4,1/4,-z+1/2;0,0,mz) (1/4,-1/4,z;0,0,-mz) (1/4,3/4,z+1/2;0,0,-mz) (-1/4,1/4,-z;0,0,mz) (-1/4,-1/4,-z;0,0,-mz) (1/4,1/4,z+1/2;0,0,mz) 8i (0,0,z;0,0,0) (0,1/2,-z+1/2;0,0,0) (0,1/2,z+1/2;0,0,0) (0,0,-z;0,0,0) 8h (0,y,0;mx,0,0) (0,y+1/2,1/2;-mx,0,0) (0,-y+1/2,1/2;mx,0,0) (0,-y,0;-mx,0,0) 8g (x,0,0;0,my,0) (-x,1/2,1/2;0,my,0) (x,1/2,1/2;0,-my,0) (-x,0,0;0,-my,0) 8f (1/4,1/4,1/4;0,0,0) (-1/4,1/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) (-1/4,-1/4,-1/4;0,0,0) 8e (1/4,1/4,0;0,0,0) (-1/4,3/4,1/2;0,0,0) (-1/4,1/4,1/2;0,0,0) (1/4,-1/4,0;0,0,0) 8d (1/4,0,1/4;0,my,0) (1/4,1/2,1/4;0,-my,0) (1/4,1/2,3/4;0,-my,0) (1/4,0,-1/4;0,my,0) 8c (0,1/4,1/4;mx,0,0) (0,3/4,1/4;-mx,0,0) (0,3/4,3/4;-mx,0,0) (0,1/4,-1/4;mx,0,0) 4b (0,0,1/2;0,0,0) (0,1/2,0;0,0,0) 4a (0,0,0;0,0,0) (0,1/2,1/2;0,0,0) ---------- UNI: 68.511 Ccca.1 BNS: 68.511 Ccca OG: 68.1.594 Ccca Operators: (1|0,0,0) (2x|0,1/2,1/2) (2y|0,0,1/2) (2z|0,1/2,0) (-1|1/2,1/2,0) (mx|1/2,0,1/2) (my|1/2,1/2,1/2) (mz|1/2,0,0) Wyckoff positions: (0,0,0)+ (1/2,1/2,0)+ 16i (x,y,z;mx,my,mz) (x,-y+1/2,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y+1/2,z;-mx,-my,mz) (-x+1/2,-y+1/2,-z;mx,my,mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) 8h (1/4,0,z;0,0,mz) (1/4,1/2,-z+1/2;0,0,-mz) (1/4,1/2,-z;0,0,mz) (1/4,0,z+1/2;0,0,-mz) 8g (0,1/4,z;0,0,mz) (0,1/4,-z+1/2;0,0,-mz) (1/2,1/4,-z;0,0,mz) (1/2,1/4,z+1/2;0,0,-mz) 8f (0,y,1/4;0,my,0) (0,-y+1/2,1/4;0,-my,0) (1/2,-y+1/2,3/4;0,my,0) (1/2,y,3/4;0,-my,0) 8e (x,1/4,1/4;mx,0,0) (-x,1/4,1/4;-mx,0,0) (-x+1/2,1/4,3/4;mx,0,0) (x+1/2,1/4,3/4;-mx,0,0) 8d (0,0,0;mx,my,mz) (0,1/2,1/2;mx,-my,-mz) (0,0,1/2;-mx,my,-mz) (0,1/2,0;-mx,-my,mz) 8c (1/4,3/4,0;mx,my,mz) (1/4,3/4,1/2;mx,-my,-mz) (3/4,3/4,1/2;-mx,my,-mz) (3/4,3/4,0;-mx,-my,mz) 4b (0,1/4,3/4;0,0,0) (1/2,1/4,1/4;0,0,0) 4a (0,1/4,1/4;0,0,0) (1/2,1/4,3/4;0,0,0) ---------- UNI: 68.512 Ccca.1' BNS: 68.512 Ccca1' OG: 68.2.595 Ccca1' Operators: (1|0,0,0) (2x|0,1/2,1/2) (2y|0,0,1/2) (2z|0,1/2,0) (-1|1/2,1/2,0) (mx|1/2,0,1/2) (my|1/2,1/2,1/2) (mz|1/2,0,0) (1|0,0,0)' (2x|0,1/2,1/2)' (2y|0,0,1/2)' (2z|0,1/2,0)' (-1|1/2,1/2,0)' (mx|1/2,0,1/2)' (my|1/2,1/2,1/2)' (mz|1/2,0,0)' Wyckoff positions: (0,0,0)+ (1/2,1/2,0)+ 16i (x,y,z;0,0,0) (x,-y+1/2,-z+1/2;0,0,0) (-x,y,-z+1/2;0,0,0) (-x,-y+1/2,z;0,0,0) (-x+1/2,-y+1/2,-z;0,0,0) (-x+1/2,y,z+1/2;0,0,0) (x+1/2,-y+1/2,z+1/2;0,0,0) (x+1/2,y,-z;0,0,0) 8h (1/4,0,z;0,0,0) (1/4,1/2,-z+1/2;0,0,0) (1/4,1/2,-z;0,0,0) (1/4,0,z+1/2;0,0,0) 8g (0,1/4,z;0,0,0) (0,1/4,-z+1/2;0,0,0) (1/2,1/4,-z;0,0,0) (1/2,1/4,z+1/2;0,0,0) 8f (0,y,1/4;0,0,0) (0,-y+1/2,1/4;0,0,0) (1/2,-y+1/2,3/4;0,0,0) (1/2,y,3/4;0,0,0) 8e (x,1/4,1/4;0,0,0) (-x,1/4,1/4;0,0,0) (-x+1/2,1/4,3/4;0,0,0) (x+1/2,1/4,3/4;0,0,0) 8d (0,0,0;0,0,0) (0,1/2,1/2;0,0,0) (0,0,1/2;0,0,0) (0,1/2,0;0,0,0) 8c (1/4,3/4,0;0,0,0) (1/4,3/4,1/2;0,0,0) (3/4,3/4,1/2;0,0,0) (3/4,3/4,0;0,0,0) 4b (0,1/4,3/4;0,0,0) (1/2,1/4,1/4;0,0,0) 4a (0,1/4,1/4;0,0,0) (1/2,1/4,3/4;0,0,0) ---------- UNI: 68.513 Cc'ca BNS: 68.513 Cc'ca OG: 68.3.596 Cc'ca Operators: (1|0,0,0) (2x|0,1/2,1/2) (2y|0,0,1/2)' (2z|0,1/2,0)' (-1|1/2,1/2,0)' (mx|1/2,0,1/2)' (my|1/2,1/2,1/2) (mz|1/2,0,0) Wyckoff positions: (0,0,0)+ (1/2,1/2,0)+ 16i (x,y,z;mx,my,mz) (x,-y+1/2,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y+1/2,z;mx,my,-mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) 8h (1/4,0,z;mx,my,0) (1/4,1/2,-z+1/2;mx,-my,0) (3/4,0,-z;-mx,-my,0) (3/4,1/2,z+1/2;-mx,my,0) 8g (0,1/4,z;mx,my,0) (0,1/4,-z+1/2;mx,-my,0) (1/2,1/4,-z;-mx,-my,0) (1/2,1/4,z+1/2;-mx,my,0) 8f (0,y,1/4;mx,0,mz) (0,-y+1/2,1/4;mx,0,-mz) (1/2,-y+1/2,3/4;-mx,0,-mz) (1/2,y,3/4;-mx,0,mz) 8e (x,1/4,1/4;mx,0,0) (-x,1/4,1/4;mx,0,0) (-x+1/2,1/4,3/4;-mx,0,0) (x+1/2,1/4,3/4;-mx,0,0) 8d (0,0,0;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) (1/2,0,0;0,0,0) 8c (1/4,3/4,0;0,0,0) (1/4,3/4,1/2;0,0,0) (3/4,3/4,1/2;0,0,0) (3/4,3/4,0;0,0,0) 4b (0,1/4,3/4;mx,0,0) (1/2,1/4,1/4;-mx,0,0) 4a (0,1/4,1/4;mx,0,0) (1/2,1/4,3/4;-mx,0,0) ---------- UNI: 68.514 Ccca' BNS: 68.514 Ccca' OG: 68.4.597 Ccca' Operators: (1|0,0,0) (2x|0,1/2,1/2)' (2y|0,0,1/2)' (2z|0,1/2,0) (-1|1/2,1/2,0)' (mx|1/2,0,1/2) (my|1/2,1/2,1/2) (mz|1/2,0,0)' Wyckoff positions: (0,0,0)+ (1/2,1/2,0)+ 16i (x,y,z;mx,my,mz) (x,-y+1/2,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y+1/2,z;-mx,-my,mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y,-z;mx,my,-mz) 8h (1/4,0,z;0,0,mz) (1/4,1/2,-z+1/2;0,0,mz) (1/4,1/2,-z;0,0,-mz) (1/4,0,z+1/2;0,0,-mz) 8g (0,1/4,z;0,0,mz) (0,1/4,-z+1/2;0,0,mz) (1/2,1/4,-z;0,0,-mz) (1/2,1/4,z+1/2;0,0,-mz) 8f (0,y,1/4;mx,0,mz) (0,-y+1/2,1/4;-mx,0,mz) (1/2,-y+1/2,3/4;-mx,0,-mz) (1/2,y,3/4;mx,0,-mz) 8e (x,1/4,1/4;0,my,mz) (-x,1/4,1/4;0,-my,mz) (-x+1/2,1/4,3/4;0,-my,-mz) (x+1/2,1/4,3/4;0,my,-mz) 8d (0,0,0;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) (0,1/2,0;0,0,0) 8c (1/4,3/4,0;0,0,0) (1/4,3/4,1/2;0,0,0) (3/4,3/4,1/2;0,0,0) (3/4,3/4,0;0,0,0) 4b (0,1/4,3/4;0,0,mz) (1/2,1/4,1/4;0,0,-mz) 4a (0,1/4,1/4;0,0,mz) (1/2,1/4,3/4;0,0,-mz) ---------- UNI: 68.515 Cc'c'a BNS: 68.515 Cc'c'a OG: 68.5.598 Cc'c'a Operators: (1|0,0,0) (2x|0,1/2,1/2)' (2y|0,0,1/2)' (2z|0,1/2,0) (-1|1/2,1/2,0) (mx|1/2,0,1/2)' (my|1/2,1/2,1/2)' (mz|1/2,0,0) Wyckoff positions: (0,0,0)+ (1/2,1/2,0)+ 16i (x,y,z;mx,my,mz) (x,-y+1/2,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y+1/2,z;-mx,-my,mz) (-x+1/2,-y+1/2,-z;mx,my,mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (x+1/2,y,-z;-mx,-my,mz) 8h (1/4,0,z;0,0,mz) (1/4,1/2,-z+1/2;0,0,mz) (1/4,1/2,-z;0,0,mz) (1/4,0,z+1/2;0,0,mz) 8g (0,1/4,z;0,0,mz) (0,1/4,-z+1/2;0,0,mz) (1/2,1/4,-z;0,0,mz) (1/2,1/4,z+1/2;0,0,mz) 8f (0,y,1/4;mx,0,mz) (0,-y+1/2,1/4;-mx,0,mz) (1/2,-y+1/2,3/4;mx,0,mz) (1/2,y,3/4;-mx,0,mz) 8e (x,1/4,1/4;0,my,mz) (-x,1/4,1/4;0,-my,mz) (-x+1/2,1/4,3/4;0,my,mz) (x+1/2,1/4,3/4;0,-my,mz) 8d (0,0,0;mx,my,mz) (0,1/2,1/2;-mx,my,mz) (0,0,1/2;mx,-my,mz) (0,1/2,0;-mx,-my,mz) 8c (1/4,3/4,0;mx,my,mz) (1/4,3/4,1/2;-mx,my,mz) (3/4,3/4,1/2;mx,-my,mz) (3/4,3/4,0;-mx,-my,mz) 4b (0,1/4,3/4;0,0,mz) (1/2,1/4,1/4;0,0,mz) 4a (0,1/4,1/4;0,0,mz) (1/2,1/4,3/4;0,0,mz) ---------- UNI: 68.516 Ccc'a' BNS: 68.516 Ccc'a' OG: 68.6.599 Ccc'a' Operators: (1|0,0,0) (2x|0,1/2,1/2) (2y|0,0,1/2)' (2z|0,1/2,0)' (-1|1/2,1/2,0) (mx|1/2,0,1/2) (my|1/2,1/2,1/2)' (mz|1/2,0,0)' Wyckoff positions: (0,0,0)+ (1/2,1/2,0)+ 16i (x,y,z;mx,my,mz) (x,-y+1/2,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y+1/2,z;mx,my,-mz) (-x+1/2,-y+1/2,-z;mx,my,mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (x+1/2,y,-z;mx,my,-mz) 8h (1/4,0,z;mx,my,0) (1/4,1/2,-z+1/2;mx,-my,0) (1/4,1/2,-z;mx,my,0) (1/4,0,z+1/2;mx,-my,0) 8g (0,1/4,z;mx,my,0) (0,1/4,-z+1/2;mx,-my,0) (1/2,1/4,-z;mx,my,0) (1/2,1/4,z+1/2;mx,-my,0) 8f (0,y,1/4;mx,0,mz) (0,-y+1/2,1/4;mx,0,-mz) (1/2,-y+1/2,3/4;mx,0,mz) (1/2,y,3/4;mx,0,-mz) 8e (x,1/4,1/4;mx,0,0) (-x,1/4,1/4;mx,0,0) (-x+1/2,1/4,3/4;mx,0,0) (x+1/2,1/4,3/4;mx,0,0) 8d (0,0,0;mx,my,mz) (0,1/2,1/2;mx,-my,-mz) (0,0,1/2;mx,-my,mz) (0,1/2,0;mx,my,-mz) 8c (1/4,3/4,0;mx,my,mz) (1/4,3/4,1/2;mx,-my,-mz) (3/4,3/4,1/2;mx,-my,mz) (3/4,3/4,0;mx,my,-mz) 4b (0,1/4,3/4;mx,0,0) (1/2,1/4,1/4;mx,0,0) 4a (0,1/4,1/4;mx,0,0) (1/2,1/4,3/4;mx,0,0) ---------- UNI: 68.517 Cc'c'a' BNS: 68.517 Cc'c'a' OG: 68.7.600 Cc'c'a' Operators: (1|0,0,0) (2x|0,1/2,1/2) (2y|0,0,1/2) (2z|0,1/2,0) (-1|1/2,1/2,0)' (mx|1/2,0,1/2)' (my|1/2,1/2,1/2)' (mz|1/2,0,0)' Wyckoff positions: (0,0,0)+ (1/2,1/2,0)+ 16i (x,y,z;mx,my,mz) (x,-y+1/2,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y+1/2,z;-mx,-my,mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (x+1/2,y,-z;mx,my,-mz) 8h (1/4,0,z;0,0,mz) (1/4,1/2,-z+1/2;0,0,-mz) (1/4,1/2,-z;0,0,-mz) (1/4,0,z+1/2;0,0,mz) 8g (0,1/4,z;0,0,mz) (0,1/4,-z+1/2;0,0,-mz) (1/2,1/4,-z;0,0,-mz) (1/2,1/4,z+1/2;0,0,mz) 8f (0,y,1/4;0,my,0) (0,-y+1/2,1/4;0,-my,0) (1/2,-y+1/2,3/4;0,-my,0) (1/2,y,3/4;0,my,0) 8e (x,1/4,1/4;mx,0,0) (-x,1/4,1/4;-mx,0,0) (-x+1/2,1/4,3/4;-mx,0,0) (x+1/2,1/4,3/4;mx,0,0) 8d (0,0,0;0,0,0) (0,1/2,1/2;0,0,0) (0,0,1/2;0,0,0) (0,1/2,0;0,0,0) 8c (1/4,3/4,0;0,0,0) (1/4,3/4,1/2;0,0,0) (3/4,3/4,1/2;0,0,0) (3/4,3/4,0;0,0,0) 4b (0,1/4,3/4;0,0,0) (1/2,1/4,1/4;0,0,0) 4a (0,1/4,1/4;0,0,0) (1/2,1/4,3/4;0,0,0) ---------- UNI: 68.518 Ccca.1'_c[Cmmb] BNS: 68.518 C_ccca OG: 67.12.588 C_2cm'm'a OG-BNS transformation: (1/2,0,0;b,-a,2c) Operators (BNS): (1|0,0,0) (2x|0,1/2,1/2) (2y|0,0,1/2) (2z|0,1/2,0) (-1|1/2,1/2,0) (mx|1/2,0,1/2) (my|1/2,1/2,1/2) (mz|1/2,0,0) (1|0,0,1/2)' (2x|0,1/2,0)' (2y|0,0,0)' (2z|0,1/2,1/2)' (-1|1/2,1/2,1/2)' (mx|1/2,0,0)' (my|1/2,1/2,0)' (mz|1/2,0,1/2)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,0)+ 32o (x,y,z;mx,my,mz) (x,-y+1/2,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y+1/2,z;-mx,-my,mz) (-x+1/2,-y+1/2,-z;mx,my,mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) (x,y,z+1/2;-mx,-my,-mz) (x,-y+1/2,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (-x+1/2,y,z;-mx,my,mz) (x+1/2,-y+1/2,z;mx,-my,mz) (x+1/2,y,-z+1/2;mx,my,-mz) 16n (1/4,y,z;0,my,mz) (1/4,-y+1/2,-z+1/2;0,-my,-mz) (3/4,y,-z+1/2;0,my,-mz) (3/4,-y+1/2,z;0,-my,mz) (1/4,-y+1/2,-z;0,my,mz) (1/4,y,z+1/2;0,-my,-mz) (3/4,-y+1/2,z+1/2;0,my,-mz) (3/4,y,-z;0,-my,mz) 16m (x,1/2,z;mx,0,mz) (x,0,-z+1/2;mx,0,-mz) (-x,1/2,-z+1/2;-mx,0,-mz) (-x,0,z;-mx,0,mz) (-x+1/2,0,-z;mx,0,mz) (-x+1/2,1/2,z+1/2;mx,0,-mz) (x+1/2,0,z+1/2;-mx,0,-mz) (x+1/2,1/2,-z;-mx,0,mz) 16l (0,1/4,z;0,0,mz) (0,1/4,-z+1/2;0,0,-mz) (1/2,1/4,-z;0,0,mz) (1/2,1/4,z+1/2;0,0,-mz) (0,1/4,z+1/2;0,0,-mz) (0,1/4,-z;0,0,mz) (1/2,1/4,-z+1/2;0,0,-mz) (1/2,1/4,z;0,0,mz) 16k (x,1/4,1/4;mx,0,0) (-x,1/4,1/4;-mx,0,0) (-x+1/2,1/4,3/4;mx,0,0) (x+1/2,1/4,3/4;-mx,0,0) (x,1/4,3/4;-mx,0,0) (-x,1/4,3/4;mx,0,0) (-x+1/2,1/4,1/4;-mx,0,0) (x+1/2,1/4,1/4;mx,0,0) 16j (x,1/4,0;0,my,mz) (x,1/4,1/2;0,-my,-mz) (-x,1/4,1/2;0,my,-mz) (-x,1/4,0;0,-my,mz) (-x+1/2,1/4,0;0,my,mz) (-x+1/2,1/4,1/2;0,-my,-mz) (x+1/2,1/4,1/2;0,my,-mz) (x+1/2,1/4,0;0,-my,mz) 16i (0,y,1/4;0,my,0) (0,-y+1/2,1/4;0,-my,0) (1/2,-y+1/2,3/4;0,my,0) (1/2,y,3/4;0,-my,0) (0,y,3/4;0,-my,0) (0,-y+1/2,3/4;0,my,0) (1/2,-y+1/2,1/4;0,-my,0) (1/2,y,1/4;0,my,0) 16h (0,y,0;mx,0,mz) (0,-y+1/2,1/2;mx,0,-mz) (0,y,1/2;-mx,0,-mz) (0,-y+1/2,0;-mx,0,mz) (1/2,-y+1/2,0;mx,0,mz) (1/2,y,1/2;mx,0,-mz) (1/2,-y+1/2,1/2;-mx,0,-mz) (1/2,y,0;-mx,0,mz) 8g (1/4,1/2,z;0,0,mz) (1/4,0,-z+1/2;0,0,-mz) (1/4,0,-z;0,0,mz) (1/4,1/2,z+1/2;0,0,-mz) 8f (1/4,1/4,1/4;0,0,0) (3/4,1/4,1/4;0,0,0) (1/4,1/4,3/4;0,0,0) (3/4,1/4,3/4;0,0,0) 8e (1/4,1/4,0;0,my,mz) (1/4,1/4,1/2;0,-my,-mz) (3/4,1/4,1/2;0,my,-mz) (3/4,1/4,0;0,-my,mz) 8d (0,1/2,1/4;0,0,0) (0,0,1/4;0,0,0) (1/2,0,3/4;0,0,0) (1/2,1/2,3/4;0,0,0) 8c (0,1/2,0;mx,0,mz) (0,0,1/2;mx,0,-mz) (0,1/2,1/2;-mx,0,-mz) (0,0,0;-mx,0,mz) 8b (0,1/4,1/4;0,0,0) (1/2,1/4,3/4;0,0,0) (0,1/4,3/4;0,0,0) (1/2,1/4,1/4;0,0,0) 8a (0,1/4,0;0,0,mz) (0,1/4,1/2;0,0,-mz) (1/2,1/4,0;0,0,mz) (1/2,1/4,1/2;0,0,-mz) Operators (OG): (1|0,0,0) (2y|1/2,0,1) (2x|0,0,1) (2z|1/2,0,0) (-1|0,0,0) (my|1/2,0,1) (mx|0,0,1) (mz|1/2,0,0) (1|0,0,1)' (2y|1/2,0,0)' (2x|0,0,0)' (2z|1/2,0,1)' (-1|0,0,1)' (my|1/2,0,0)' (mx|0,0,0)' (mz|1/2,0,1)' Wyckoff positions (OG): (0,0,0)+ (0,1,0)+ (-1,0,0)+ (0,0,2)+ (-1/2,1/2,0)+ 32o (x,y,z;mx,my,mz) (-x+1/2,y,-z+1;-mx,my,-mz) (x,-y,-z+1;mx,-my,-mz) (-x+1/2,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (x+1/2,-y,z+1;-mx,my,-mz) (-x,y,z+1;mx,-my,-mz) (x+1/2,y,-z;-mx,-my,mz) (x,y,z+1;-mx,-my,-mz) (-x+1/2,y,-z;mx,-my,mz) (x,-y,-z;-mx,my,mz) (-x+1/2,-y,z+1;mx,my,-mz) (-x,-y,-z+1;-mx,-my,-mz) (x+1/2,-y,z;mx,-my,mz) (-x,y,z;-mx,my,mz) (x+1/2,y,-z+1;mx,my,-mz) 16n (x,1/4,z;mx,0,mz) (-x+1/2,1/4,-z+1;-mx,0,-mz) (x,-1/4,-z+1;mx,0,-mz) (-x+1/2,-1/4,z;-mx,0,mz) (-x,-1/4,-z;mx,0,mz) (x+1/2,-1/4,z+1;-mx,0,-mz) (-x,1/4,z+1;mx,0,-mz) (x+1/2,1/4,-z;-mx,0,mz) 16m (0,y,z;0,my,mz) (1/2,y,-z+1;0,my,-mz) (0,-y,-z+1;0,-my,-mz) (1/2,-y,z;0,-my,mz) (0,-y,-z;0,my,mz) (1/2,-y,z+1;0,my,-mz) (0,y,z+1;0,-my,-mz) (1/2,y,-z;0,-my,mz) 16l (1/4,0,z;0,0,mz) (1/4,0,-z+1;0,0,-mz) (-1/4,0,-z;0,0,mz) (3/4,0,z+1;0,0,-mz) (1/4,0,z+1;0,0,-mz) (1/4,0,-z;0,0,mz) (-1/4,0,-z+1;0,0,-mz) (3/4,0,z;0,0,mz) 16k (1/4,y,1/2;0,my,0) (1/4,-y,1/2;0,-my,0) (-1/4,-y,-1/2;0,my,0) (-1/4,y,3/2;0,-my,0) (1/4,y,3/2;0,-my,0) (1/4,-y,-1/2;0,my,0) (-1/4,-y,1/2;0,-my,0) (-1/4,y,1/2;0,my,0) 16j (1/4,y,0;mx,0,mz) (1/4,y,1;-mx,0,-mz) (1/4,-y,1;mx,0,-mz) (1/4,-y,0;-mx,0,mz) (-1/4,-y,0;mx,0,mz) (3/4,-y,1;-mx,0,-mz) (-1/4,y,1;mx,0,-mz) (3/4,y,0;-mx,0,mz) 16i (x,0,1/2;mx,0,0) (-x+1/2,0,1/2;-mx,0,0) (-x,0,-1/2;mx,0,0) (x+1/2,0,3/2;-mx,0,0) (x,0,3/2;-mx,0,0) (-x+1/2,0,-1/2;mx,0,0) (-x,0,1/2;-mx,0,0) (x+1/2,0,1/2;mx,0,0) 16h (x,0,0;0,my,mz) (-x+1/2,0,1;0,my,-mz) (x,0,1;0,-my,-mz) (-x+1/2,0,0;0,-my,mz) (-x,0,0;0,my,mz) (x+1/2,0,1;0,my,-mz) (-x,0,1;0,-my,-mz) (x+1/2,0,0;0,-my,mz) 8g (0,1/4,z;0,0,mz) (1/2,1/4,-z+1;0,0,-mz) (0,-1/4,-z;0,0,mz) (1/2,-1/4,z+1;0,0,-mz) 8f (1/4,1/4,1/2;0,0,0) (1/4,-1/4,1/2;0,0,0) (-1/4,-1/4,-1/2;0,0,0) (-1/4,1/4,3/2;0,0,0) 8e (1/4,1/4,0;mx,0,mz) (1/4,1/4,1;-mx,0,-mz) (1/4,-1/4,1;mx,0,-mz) (1/4,-1/4,0;-mx,0,mz) 8d (0,0,1/2;0,0,0) (1/2,0,1/2;0,0,0) (0,0,-1/2;0,0,0) (1/2,0,3/2;0,0,0) 8c (0,0,0;0,my,mz) (1/2,0,1;0,my,-mz) (0,0,1;0,-my,-mz) (1/2,0,0;0,-my,mz) 8b (1/4,0,1/2;0,0,0) (-1/4,0,-1/2;0,0,0) (1/4,0,3/2;0,0,0) (-1/4,0,1/2;0,0,0) 8a (1/4,0,0;0,0,mz) (1/4,0,1;0,0,-mz) (-1/4,0,0;0,0,mz) (3/4,0,1;0,0,-mz) ---------- UNI: 68.519 Ccca.1'_a[Pccm] BNS: 68.519 C_acca OG: 49.13.376 P_Cccm' OG-BNS transformation: (1/2,0,0;2a,2b,c) Operators (BNS): (1|0,0,0) (2x|0,1/2,1/2) (2y|0,0,1/2) (2z|0,1/2,0) (-1|1/2,1/2,0) (mx|1/2,0,1/2) (my|1/2,1/2,1/2) (mz|1/2,0,0) (1|1/2,0,0)' (2x|1/2,1/2,1/2)' (2y|1/2,0,1/2)' (2z|1/2,1/2,0)' (-1|0,1/2,0)' (mx|0,0,1/2)' (my|0,1/2,1/2)' (mz|0,0,0)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,0)+ 32r (x,y,z;mx,my,mz) (x,-y+1/2,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y+1/2,z;-mx,-my,mz) (-x+1/2,-y+1/2,-z;mx,my,mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) (x+1/2,y,z;-mx,-my,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x,-y+1/2,-z;-mx,-my,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y+1/2,z+1/2;mx,-my,mz) (x,y,-z;mx,my,-mz) 16q (x,y,0;mx,my,0) (x,-y+1/2,1/2;mx,-my,0) (-x,y,1/2;-mx,my,0) (-x,-y+1/2,0;-mx,-my,0) (-x+1/2,-y+1/2,0;mx,my,0) (-x+1/2,y,1/2;mx,-my,0) (x+1/2,-y+1/2,1/2;-mx,my,0) (x+1/2,y,0;-mx,-my,0) 16p (0,0,z;mx,my,0) (0,1/2,-z+1/2;mx,-my,0) (0,0,-z+1/2;-mx,my,0) (0,1/2,z;-mx,-my,0) (1/2,1/2,-z;mx,my,0) (1/2,0,z+1/2;mx,-my,0) (1/2,1/2,z+1/2;-mx,my,0) (1/2,0,-z;-mx,-my,0) 16o (3/4,1/4,z;mx,my,0) (3/4,1/4,-z+1/2;mx,-my,0) (1/4,1/4,-z+1/2;-mx,my,0) (1/4,1/4,z;-mx,-my,0) (3/4,1/4,-z;mx,my,0) (3/4,1/4,z+1/2;mx,-my,0) (1/4,1/4,z+1/2;-mx,my,0) (1/4,1/4,-z;-mx,-my,0) 16n (0,1/4,z;0,0,mz) (0,1/4,-z+1/2;0,0,-mz) (1/2,1/4,-z;0,0,mz) (1/2,1/4,z+1/2;0,0,-mz) (1/2,1/4,z;0,0,-mz) (1/2,1/4,-z+1/2;0,0,mz) (0,1/4,-z;0,0,-mz) (0,1/4,z+1/2;0,0,mz) 16m (3/4,0,z;0,0,mz) (3/4,1/2,-z+1/2;0,0,-mz) (3/4,1/2,-z;0,0,mz) (3/4,0,z+1/2;0,0,-mz) (1/4,0,z;0,0,-mz) (1/4,1/2,-z+1/2;0,0,mz) (1/4,1/2,-z;0,0,-mz) (1/4,0,z+1/2;0,0,mz) 16l (0,y,1/4;0,my,0) (0,-y+1/2,1/4;0,-my,0) (1/2,-y+1/2,3/4;0,my,0) (1/2,y,3/4;0,-my,0) (1/2,y,1/4;0,-my,0) (1/2,-y+1/2,1/4;0,my,0) (0,-y+1/2,3/4;0,-my,0) (0,y,3/4;0,my,0) 16k (3/4,y,1/4;mx,0,mz) (3/4,-y+1/2,1/4;mx,0,-mz) (1/4,y,1/4;-mx,0,-mz) (1/4,-y+1/2,1/4;-mx,0,mz) (3/4,-y+1/2,3/4;mx,0,mz) (3/4,y,3/4;mx,0,-mz) (1/4,-y+1/2,3/4;-mx,0,-mz) (1/4,y,3/4;-mx,0,mz) 16j (x,1/4,1/4;mx,0,0) (-x,1/4,1/4;-mx,0,0) (-x+1/2,1/4,3/4;mx,0,0) (x+1/2,1/4,3/4;-mx,0,0) (x+1/2,1/4,1/4;-mx,0,0) (-x+1/2,1/4,1/4;mx,0,0) (-x,1/4,3/4;-mx,0,0) (x,1/4,3/4;mx,0,0) 16i (x,0,1/4;0,my,mz) (x,1/2,1/4;0,-my,-mz) (-x,0,1/4;0,my,-mz) (-x,1/2,1/4;0,-my,mz) (-x+1/2,1/2,3/4;0,my,mz) (-x+1/2,0,3/4;0,-my,-mz) (x+1/2,1/2,3/4;0,my,-mz) (x+1/2,0,3/4;0,-my,mz) 8h (0,1/4,1/4;0,0,0) (1/2,1/4,3/4;0,0,0) (1/2,1/4,1/4;0,0,0) (0,1/4,3/4;0,0,0) 8g (3/4,1/4,1/4;mx,0,0) (1/4,1/4,1/4;-mx,0,0) (3/4,1/4,3/4;mx,0,0) (1/4,1/4,3/4;-mx,0,0) 8f (0,0,1/4;0,my,0) (0,1/2,1/4;0,-my,0) (1/2,1/2,3/4;0,my,0) (1/2,0,3/4;0,-my,0) 8e (3/4,0,1/4;0,0,mz) (3/4,1/2,1/4;0,0,-mz) (3/4,1/2,3/4;0,0,mz) (3/4,0,3/4;0,0,-mz) 8d (0,0,0;mx,my,0) (0,1/2,1/2;mx,-my,0) (0,0,1/2;-mx,my,0) (0,1/2,0;-mx,-my,0) 8c (3/4,1/4,0;mx,my,0) (3/4,1/4,1/2;mx,-my,0) (1/4,1/4,1/2;-mx,my,0) (1/4,1/4,0;-mx,-my,0) 8b (0,1/4,0;0,0,0) (0,1/4,1/2;0,0,0) (1/2,1/4,0;0,0,0) (1/2,1/4,1/2;0,0,0) 8a (3/4,0,0;0,0,0) (3/4,1/2,1/2;0,0,0) (3/4,1/2,0;0,0,0) (3/4,0,1/2;0,0,0) Operators (OG): (1|0,0,0) (2x|1,0,1/2) (2y|1,0,1/2) (2z|0,0,0) (-1|1,0,0) (mx|0,0,1/2) (my|0,0,1/2) (mz|1,0,0) (1|1,0,0)' (2x|0,0,1/2)' (2y|0,0,1/2)' (2z|1,0,0)' (-1|0,0,0)' (mx|1,0,1/2)' (my|1,0,1/2)' (mz|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,2,0)+ (0,0,1)+ (1,1,0)+ 32r (x,y,z;mx,my,mz) (x+1,-y,-z+1/2;mx,-my,-mz) (-x+1,y,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x+1,-y,-z;mx,my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1,y,-z;-mx,-my,mz) (x+1,y,z;-mx,-my,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x+1,-y,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x+1,y,z+1/2;-mx,my,mz) (x+1,-y,z+1/2;mx,-my,mz) (x,y,-z;mx,my,-mz) 16q (x,y,0;mx,my,0) (x+1,-y,1/2;mx,-my,0) (-x+1,y,1/2;-mx,my,0) (-x,-y,0;-mx,-my,0) (-x+1,-y,0;mx,my,0) (-x,y,1/2;mx,-my,0) (x,-y,1/2;-mx,my,0) (x+1,y,0;-mx,-my,0) 16p (1/2,0,z;mx,my,0) (3/2,0,-z+1/2;mx,-my,0) (1/2,0,-z+1/2;-mx,my,0) (-1/2,0,z;-mx,-my,0) (1/2,0,-z;mx,my,0) (-1/2,0,z+1/2;mx,-my,0) (1/2,0,z+1/2;-mx,my,0) (3/2,0,-z;-mx,-my,0) 16o (0,1/2,z;mx,my,0) (1,-1/2,-z+1/2;mx,-my,0) (1,1/2,-z+1/2;-mx,my,0) (0,-1/2,z;-mx,-my,0) (1,-1/2,-z;mx,my,0) (0,1/2,z+1/2;mx,-my,0) (0,-1/2,z+1/2;-mx,my,0) (1,1/2,-z;-mx,-my,0) 16n (1/2,1/2,z;0,0,mz) (3/2,-1/2,-z+1/2;0,0,-mz) (1/2,-1/2,-z;0,0,mz) (-1/2,1/2,z+1/2;0,0,-mz) (3/2,1/2,z;0,0,-mz) (1/2,-1/2,-z+1/2;0,0,mz) (-1/2,-1/2,-z;0,0,-mz) (1/2,1/2,z+1/2;0,0,mz) 16m (0,0,z;0,0,mz) (1,0,-z+1/2;0,0,-mz) (1,0,-z;0,0,mz) (0,0,z+1/2;0,0,-mz) (1,0,z;0,0,-mz) (0,0,-z+1/2;0,0,mz) (0,0,-z;0,0,-mz) (1,0,z+1/2;0,0,mz) 16l (1/2,y,1/4;0,my,0) (3/2,-y,1/4;0,-my,0) (1/2,-y,-1/4;0,my,0) (-1/2,y,3/4;0,-my,0) (3/2,y,1/4;0,-my,0) (1/2,-y,1/4;0,my,0) (-1/2,-y,-1/4;0,-my,0) (1/2,y,3/4;0,my,0) 16k (0,y,1/4;mx,0,mz) (1,-y,1/4;mx,0,-mz) (1,y,1/4;-mx,0,-mz) (0,-y,1/4;-mx,0,mz) (1,-y,-1/4;mx,0,mz) (0,y,3/4;mx,0,-mz) (0,-y,3/4;-mx,0,-mz) (1,y,-1/4;-mx,0,mz) 16j (x,1/2,1/4;mx,0,0) (-x+1,1/2,1/4;-mx,0,0) (-x+1,-1/2,-1/4;mx,0,0) (x,-1/2,3/4;-mx,0,0) (x+1,1/2,1/4;-mx,0,0) (-x,1/2,1/4;mx,0,0) (-x,-1/2,-1/4;-mx,0,0) (x+1,-1/2,3/4;mx,0,0) 16i (x,0,1/4;0,my,mz) (x+1,0,1/4;0,-my,-mz) (-x+1,0,1/4;0,my,-mz) (-x,0,1/4;0,-my,mz) (-x+1,0,-1/4;0,my,mz) (-x,0,3/4;0,-my,-mz) (x,0,3/4;0,my,-mz) (x+1,0,-1/4;0,-my,mz) 8h (1/2,1/2,1/4;0,0,0) (1/2,-1/2,-1/4;0,0,0) (3/2,1/2,1/4;0,0,0) (-1/2,-1/2,-1/4;0,0,0) 8g (0,1/2,1/4;mx,0,0) (1,1/2,1/4;-mx,0,0) (1,-1/2,-1/4;mx,0,0) (0,-1/2,3/4;-mx,0,0) 8f (1/2,0,1/4;0,my,0) (3/2,0,1/4;0,-my,0) (1/2,0,-1/4;0,my,0) (-1/2,0,3/4;0,-my,0) 8e (0,0,1/4;0,0,mz) (1,0,1/4;0,0,-mz) (1,0,-1/4;0,0,mz) (0,0,3/4;0,0,-mz) 8d (1/2,0,0;mx,my,0) (3/2,0,1/2;mx,-my,0) (1/2,0,1/2;-mx,my,0) (-1/2,0,0;-mx,-my,0) 8c (0,1/2,0;mx,my,0) (1,-1/2,1/2;mx,-my,0) (1,1/2,1/2;-mx,my,0) (0,-1/2,0;-mx,-my,0) 8b (1/2,1/2,0;0,0,0) (3/2,-1/2,1/2;0,0,0) (1/2,-1/2,0;0,0,0) (-1/2,1/2,1/2;0,0,0) 8a (0,0,0;0,0,0) (1,0,1/2;0,0,0) (1,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- UNI: 68.520 Ccca.1'_A[Fmmm] BNS: 68.520 C_Acca OG: 69.11.615 F_Cm'm'm' OG-BNS transformation: (0,-1/4,-1/4;a,b,c) Operators (BNS): (1|0,0,0) (2x|0,1/2,1/2) (2y|0,0,1/2) (2z|0,1/2,0) (-1|1/2,1/2,0) (mx|1/2,0,1/2) (my|1/2,1/2,1/2) (mz|1/2,0,0) (1|0,1/2,1/2)' (2x|1/2,1/2,0)' (2y|1/2,0,0)' (2z|1/2,1/2,1/2)' (-1|0,1/2,1/2)' (mx|0,0,0)' (my|0,1/2,0)' (mz|0,0,1/2)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,0)+ 32p (x,y,z;mx,my,mz) (x,-y+1/2,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y+1/2,z;-mx,-my,mz) (-x+1/2,-y+1/2,-z;mx,my,mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x+1/2,y,-z;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x,-y+1/2,-z+1/2;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x,-y+1/2,z;mx,-my,mz) (x,y,-z+1/2;mx,my,-mz) 16o (x,y,1/4;mx,my,0) (x,-y+1/2,1/4;mx,-my,0) (-x,y,1/4;-mx,my,0) (-x,-y+1/2,1/4;-mx,-my,0) (-x+1/2,-y+1/2,3/4;mx,my,0) (-x+1/2,y,3/4;mx,-my,0) (x+1/2,-y+1/2,3/4;-mx,my,0) (x+1/2,y,3/4;-mx,-my,0) 16n (x,1/4,z;mx,0,mz) (x,1/4,-z+1/2;mx,0,-mz) (-x,1/4,-z+1/2;-mx,0,-mz) (-x,1/4,z;-mx,0,mz) (-x+1/2,1/4,-z;mx,0,mz) (-x+1/2,1/4,z+1/2;mx,0,-mz) (x+1/2,1/4,z+1/2;-mx,0,-mz) (x+1/2,1/4,-z;-mx,0,mz) 16m (0,y,z;0,my,mz) (0,-y+1/2,-z+1/2;0,-my,-mz) (0,y,-z+1/2;0,my,-mz) (0,-y+1/2,z;0,-my,mz) (1/2,-y+1/2,-z;0,my,mz) (1/2,y,z+1/2;0,-my,-mz) (1/2,-y+1/2,z+1/2;0,my,-mz) (1/2,y,-z;0,-my,mz) 16l (x,1/2,1/2;0,my,mz) (x,0,0;0,-my,-mz) (-x,1/2,0;0,my,-mz) (-x,0,1/2;0,-my,mz) (-x+1/2,0,1/2;0,my,mz) (-x+1/2,1/2,0;0,-my,-mz) (x+1/2,0,0;0,my,-mz) (x+1/2,1/2,1/2;0,-my,mz) 16k (1/4,y,1/2;mx,0,mz) (1/4,-y+1/2,0;mx,0,-mz) (3/4,y,0;-mx,0,-mz) (3/4,-y+1/2,1/2;-mx,0,mz) (1/4,-y+1/2,1/2;mx,0,mz) (1/4,y,0;mx,0,-mz) (3/4,-y+1/2,0;-mx,0,-mz) (3/4,y,1/2;-mx,0,mz) 16j (1/4,1/2,z;0,0,mz) (1/4,0,-z+1/2;0,0,-mz) (1/4,0,-z;0,0,mz) (1/4,1/2,z+1/2;0,0,-mz) (1/4,0,z+1/2;0,0,-mz) (3/4,0,-z;0,0,mz) (3/4,0,-z+1/2;0,0,-mz) (3/4,1/2,z;0,0,mz) 8i (0,1/4,z;0,0,mz) (0,1/4,-z+1/2;0,0,-mz) (1/2,1/4,-z;0,0,mz) (1/2,1/4,z+1/2;0,0,-mz) 8h (0,y,1/4;0,my,0) (0,-y+1/2,1/4;0,-my,0) (1/2,-y+1/2,3/4;0,my,0) (1/2,y,3/4;0,-my,0) 8g (x,1/4,1/4;mx,0,0) (-x,1/4,1/4;-mx,0,0) (-x+1/2,1/4,3/4;mx,0,0) (x+1/2,1/4,3/4;-mx,0,0) 8f (1/4,1/2,1/2;0,0,mz) (1/4,0,0;0,0,-mz) (1/4,0,1/2;0,0,mz) (1/4,1/2,0;0,0,-mz) 8e (1/4,1/2,1/4;0,0,0) (1/4,0,1/4;0,0,0) (1/4,0,3/4;0,0,0) (1/4,1/2,3/4;0,0,0) 8d (1/4,1/4,1/2;mx,0,mz) (1/4,1/4,0;mx,0,-mz) (3/4,1/4,0;-mx,0,-mz) (3/4,1/4,1/2;-mx,0,mz) 8c (0,1/2,1/2;0,my,mz) (0,0,0;0,-my,-mz) (0,1/2,0;0,my,-mz) (0,0,1/2;0,-my,mz) 4b (0,1/4,3/4;0,0,0) (1/2,1/4,1/4;0,0,0) 4a (0,1/4,1/4;0,0,0) (1/2,1/4,3/4;0,0,0) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (-1|1/2,0,1/2) (mx|1/2,0,1/2) (my|1/2,0,1/2) (mz|1/2,0,1/2) (1|1/2,0,1/2)' (2x|1/2,0,1/2)' (2y|1/2,0,1/2)' (2z|1/2,0,1/2)' (-1|0,0,0)' (mx|0,0,0)' (my|0,0,0)' (mz|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,0)+ 32p (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,-y,-z+1/2;mx,my,mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y,-z+1/2;-mx,-my,mz) (x+1/2,y,z+1/2;-mx,-my,-mz) (x+1/2,-y,-z+1/2;-mx,my,mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x,y,-z;mx,my,-mz) 16o (x,y,0;mx,my,0) (x,-y,0;mx,-my,0) (-x,y,0;-mx,my,0) (-x,-y,0;-mx,-my,0) (-x+1/2,-y,1/2;mx,my,0) (-x+1/2,y,1/2;mx,-my,0) (x+1/2,-y,1/2;-mx,my,0) (x+1/2,y,1/2;-mx,-my,0) 16n (x,0,z;mx,0,mz) (x,0,-z;mx,0,-mz) (-x,0,-z;-mx,0,-mz) (-x,0,z;-mx,0,mz) (-x+1/2,0,-z+1/2;mx,0,mz) (-x+1/2,0,z+1/2;mx,0,-mz) (x+1/2,0,z+1/2;-mx,0,-mz) (x+1/2,0,-z+1/2;-mx,0,mz) 16m (0,y,z;0,my,mz) (0,-y,-z;0,-my,-mz) (0,y,-z;0,my,-mz) (0,-y,z;0,-my,mz) (1/2,-y,-z+1/2;0,my,mz) (1/2,y,z+1/2;0,-my,-mz) (1/2,-y,z+1/2;0,my,-mz) (1/2,y,-z+1/2;0,-my,mz) 16l (x,1/4,1/4;0,my,mz) (x,-1/4,-1/4;0,-my,-mz) (-x,1/4,-1/4;0,my,-mz) (-x,-1/4,1/4;0,-my,mz) (-x+1/2,-1/4,1/4;0,my,mz) (-x+1/2,1/4,3/4;0,-my,-mz) (x+1/2,-1/4,3/4;0,my,-mz) (x+1/2,1/4,1/4;0,-my,mz) 16k (1/4,y,1/4;mx,0,mz) (1/4,-y,-1/4;mx,0,-mz) (-1/4,y,-1/4;-mx,0,-mz) (-1/4,-y,1/4;-mx,0,mz) (1/4,-y,1/4;mx,0,mz) (1/4,y,3/4;mx,0,-mz) (3/4,-y,3/4;-mx,0,-mz) (3/4,y,1/4;-mx,0,mz) 16j (1/4,1/4,z;0,0,mz) (1/4,-1/4,-z;0,0,-mz) (1/4,-1/4,-z+1/2;0,0,mz) (1/4,1/4,z+1/2;0,0,-mz) (3/4,1/4,z+1/2;0,0,-mz) (3/4,-1/4,-z+1/2;0,0,mz) (-1/4,-1/4,-z;0,0,-mz) (-1/4,1/4,z;0,0,mz) 8i (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) (1/2,0,-z+1/2;0,0,mz) (1/2,0,z+1/2;0,0,-mz) 8h (0,y,0;0,my,0) (0,-y,0;0,-my,0) (1/2,-y,1/2;0,my,0) (1/2,y,1/2;0,-my,0) 8g (x,0,0;mx,0,0) (-x,0,0;-mx,0,0) (-x+1/2,0,1/2;mx,0,0) (x+1/2,0,1/2;-mx,0,0) 8f (1/4,1/4,1/4;0,0,mz) (1/4,-1/4,-1/4;0,0,-mz) (1/4,-1/4,1/4;0,0,mz) (1/4,1/4,3/4;0,0,-mz) 8e (1/4,1/4,0;0,0,0) (1/4,-1/4,0;0,0,0) (1/4,-1/4,1/2;0,0,0) (1/4,1/4,1/2;0,0,0) 8d (1/4,0,1/4;mx,0,mz) (1/4,0,-1/4;mx,0,-mz) (-1/4,0,-1/4;-mx,0,-mz) (-1/4,0,1/4;-mx,0,mz) 8c (0,1/4,1/4;0,my,mz) (0,-1/4,-1/4;0,-my,-mz) (0,1/4,-1/4;0,my,-mz) (0,-1/4,1/4;0,-my,mz) 4b (0,0,1/2;0,0,0) (1/2,0,0;0,0,0) 4a (0,0,0;0,0,0) (1/2,0,1/2;0,0,0) ---------- UNI: 69.521 Fmmm.1 BNS: 69.521 Fmmm OG: 69.1.605 Fmmm Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (-1|0,0,0) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) Wyckoff positions: (0,0,0)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 32p (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) 16o (x,y,0;0,0,mz) (x,-y,0;0,0,-mz) (-x,y,0;0,0,-mz) (-x,-y,0;0,0,mz) 16n (x,0,z;0,my,0) (x,0,-z;0,-my,0) (-x,0,-z;0,my,0) (-x,0,z;0,-my,0) 16m (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (0,y,-z;-mx,0,0) (0,-y,z;-mx,0,0) 16l (x,1/4,1/4;mx,0,0) (-x,1/4,3/4;-mx,0,0) (-x,3/4,3/4;mx,0,0) (x,3/4,1/4;-mx,0,0) 16k (1/4,y,1/4;0,my,0) (1/4,-y,3/4;0,-my,0) (3/4,-y,3/4;0,my,0) (3/4,y,1/4;0,-my,0) 16j (1/4,1/4,z;0,0,mz) (1/4,3/4,-z;0,0,-mz) (3/4,3/4,-z;0,0,mz) (3/4,1/4,z;0,0,-mz) 8i (0,0,z;0,0,0) (0,0,-z;0,0,0) 8h (0,y,0;0,0,0) (0,-y,0;0,0,0) 8g (x,0,0;0,0,0) (-x,0,0;0,0,0) 8f (1/4,1/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) 8e (1/4,1/4,0;0,0,mz) (1/4,3/4,0;0,0,-mz) 8d (1/4,0,1/4;0,my,0) (1/4,0,3/4;0,-my,0) 8c (0,1/4,1/4;mx,0,0) (0,1/4,3/4;-mx,0,0) 4b (0,0,1/2;0,0,0) 4a (0,0,0;0,0,0) ---------- UNI: 69.522 Fmmm.1' BNS: 69.522 Fmmm1' OG: 69.2.606 Fmmm1' Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (-1|0,0,0) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (1|0,0,0)' (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,0)' (-1|0,0,0)' (mx|0,0,0)' (my|0,0,0)' (mz|0,0,0)' Wyckoff positions: (0,0,0)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 32p (x,y,z;0,0,0) (x,-y,-z;0,0,0) (-x,y,-z;0,0,0) (-x,-y,z;0,0,0) (-x,-y,-z;0,0,0) (-x,y,z;0,0,0) (x,-y,z;0,0,0) (x,y,-z;0,0,0) 16o (x,y,0;0,0,0) (x,-y,0;0,0,0) (-x,y,0;0,0,0) (-x,-y,0;0,0,0) 16n (x,0,z;0,0,0) (x,0,-z;0,0,0) (-x,0,-z;0,0,0) (-x,0,z;0,0,0) 16m (0,y,z;0,0,0) (0,-y,-z;0,0,0) (0,y,-z;0,0,0) (0,-y,z;0,0,0) 16l (x,1/4,1/4;0,0,0) (-x,1/4,3/4;0,0,0) (-x,3/4,3/4;0,0,0) (x,3/4,1/4;0,0,0) 16k (1/4,y,1/4;0,0,0) (1/4,-y,3/4;0,0,0) (3/4,-y,3/4;0,0,0) (3/4,y,1/4;0,0,0) 16j (1/4,1/4,z;0,0,0) (1/4,3/4,-z;0,0,0) (3/4,3/4,-z;0,0,0) (3/4,1/4,z;0,0,0) 8i (0,0,z;0,0,0) (0,0,-z;0,0,0) 8h (0,y,0;0,0,0) (0,-y,0;0,0,0) 8g (x,0,0;0,0,0) (-x,0,0;0,0,0) 8f (1/4,1/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) 8e (1/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) 8d (1/4,0,1/4;0,0,0) (1/4,0,3/4;0,0,0) 8c (0,1/4,1/4;0,0,0) (0,1/4,3/4;0,0,0) 4b (0,0,1/2;0,0,0) 4a (0,0,0;0,0,0) ---------- UNI: 69.523 Fm'mm BNS: 69.523 Fm'mm OG: 69.3.607 Fm'mm Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,0)' (2z|0,0,0)' (-1|0,0,0)' (mx|0,0,0)' (my|0,0,0) (mz|0,0,0) Wyckoff positions: (0,0,0)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 32p (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;mx,-my,mz) (-x,-y,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) 16o (x,y,0;0,0,mz) (x,-y,0;0,0,-mz) (-x,y,0;0,0,mz) (-x,-y,0;0,0,-mz) 16n (x,0,z;0,my,0) (x,0,-z;0,-my,0) (-x,0,-z;0,-my,0) (-x,0,z;0,my,0) 16m (0,y,z;0,my,mz) (0,-y,-z;0,-my,-mz) (0,y,-z;0,-my,mz) (0,-y,z;0,my,-mz) 16l (x,1/4,1/4;mx,0,0) (-x,1/4,3/4;mx,0,0) (-x,3/4,3/4;-mx,0,0) (x,3/4,1/4;-mx,0,0) 16k (1/4,y,1/4;mx,0,mz) (1/4,-y,3/4;mx,0,-mz) (1/4,-y,1/4;-mx,0,-mz) (1/4,y,3/4;-mx,0,mz) 16j (1/4,1/4,z;mx,my,0) (1/4,3/4,-z;mx,-my,0) (1/4,1/4,-z;-mx,-my,0) (1/4,3/4,z;-mx,my,0) 8i (0,0,z;0,my,0) (0,0,-z;0,-my,0) 8h (0,y,0;0,0,mz) (0,-y,0;0,0,-mz) 8g (x,0,0;0,0,0) (-x,0,0;0,0,0) 8f (1/4,1/4,1/4;mx,0,0) (1/4,3/4,1/4;-mx,0,0) 8e (1/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) 8d (1/4,0,1/4;0,0,0) (1/4,0,3/4;0,0,0) 8c (0,1/4,1/4;0,0,0) (0,3/4,1/4;0,0,0) 4b (0,0,1/2;0,0,0) 4a (0,0,0;0,0,0) ---------- UNI: 69.524 Fm'm'm BNS: 69.524 Fm'm'm OG: 69.4.608 Fm'm'm Operators: (1|0,0,0) (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,0) (-1|0,0,0) (mx|0,0,0)' (my|0,0,0)' (mz|0,0,0) Wyckoff positions: (0,0,0)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 32p (x,y,z;mx,my,mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x,y,-z;-mx,-my,mz) 16o (x,y,0;0,0,mz) (x,-y,0;0,0,mz) (-x,y,0;0,0,mz) (-x,-y,0;0,0,mz) 16n (x,0,z;mx,0,mz) (x,0,-z;-mx,0,mz) (-x,0,-z;mx,0,mz) (-x,0,z;-mx,0,mz) 16m (0,y,z;0,my,mz) (0,-y,-z;0,my,mz) (0,y,-z;0,-my,mz) (0,-y,z;0,-my,mz) 16l (x,1/4,1/4;0,my,mz) (-x,3/4,1/4;0,-my,mz) (-x,3/4,3/4;0,my,mz) (x,1/4,3/4;0,-my,mz) 16k (1/4,y,1/4;mx,0,mz) (3/4,-y,1/4;-mx,0,mz) (3/4,-y,3/4;mx,0,mz) (1/4,y,3/4;-mx,0,mz) 16j (1/4,1/4,z;0,0,mz) (1/4,3/4,-z;0,0,mz) (3/4,3/4,-z;0,0,mz) (3/4,1/4,z;0,0,mz) 8i (0,0,z;0,0,mz) (0,0,-z;0,0,mz) 8h (0,y,0;0,0,mz) (0,-y,0;0,0,mz) 8g (x,0,0;0,0,mz) (-x,0,0;0,0,mz) 8f (1/4,1/4,1/4;0,0,mz) (3/4,3/4,3/4;0,0,mz) 8e (1/4,1/4,0;0,0,mz) (1/4,3/4,0;0,0,mz) 8d (1/4,0,1/4;mx,0,mz) (3/4,0,1/4;-mx,0,mz) 8c (0,1/4,1/4;0,my,mz) (0,3/4,1/4;0,-my,mz) 4b (0,0,1/2;0,0,mz) 4a (0,0,0;0,0,mz) ---------- UNI: 69.525 Fm'm'm' BNS: 69.525 Fm'm'm' OG: 69.5.609 Fm'm'm' Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (-1|0,0,0)' (mx|0,0,0)' (my|0,0,0)' (mz|0,0,0)' Wyckoff positions: (0,0,0)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 32p (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x,y,-z;mx,my,-mz) 16o (x,y,0;mx,my,0) (x,-y,0;mx,-my,0) (-x,y,0;-mx,my,0) (-x,-y,0;-mx,-my,0) 16n (x,0,z;mx,0,mz) (x,0,-z;mx,0,-mz) (-x,0,-z;-mx,0,-mz) (-x,0,z;-mx,0,mz) 16m (0,y,z;0,my,mz) (0,-y,-z;0,-my,-mz) (0,y,-z;0,my,-mz) (0,-y,z;0,-my,mz) 16l (x,1/4,1/4;mx,0,0) (-x,1/4,3/4;-mx,0,0) (-x,3/4,3/4;-mx,0,0) (x,3/4,1/4;mx,0,0) 16k (1/4,y,1/4;0,my,0) (1/4,-y,3/4;0,-my,0) (3/4,-y,3/4;0,-my,0) (3/4,y,1/4;0,my,0) 16j (1/4,1/4,z;0,0,mz) (1/4,3/4,-z;0,0,-mz) (3/4,3/4,-z;0,0,-mz) (3/4,1/4,z;0,0,mz) 8i (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) 8h (0,y,0;0,my,0) (0,-y,0;0,-my,0) 8g (x,0,0;mx,0,0) (-x,0,0;-mx,0,0) 8f (1/4,1/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) 8e (1/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) 8d (1/4,0,1/4;0,0,0) (1/4,0,3/4;0,0,0) 8c (0,1/4,1/4;0,0,0) (0,1/4,3/4;0,0,0) 4b (0,0,1/2;0,0,0) 4a (0,0,0;0,0,0) ---------- UNI: 69.526 Fmmm.1'_I[Pmmm] BNS: 69.526 F_Smmm OG: 47.8.354 P_Fmmm OG-BNS transformation: (0,0,0;2a,2b,2c) Operators (BNS): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (-1|0,0,0) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (1|0,0,1/2)' (2x|1/2,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (-1|1/2,1/2,1/2)' (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2)' (mz|1/2,1/2,1/2)' Wyckoff positions (BNS): (0,0,0)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 64alpha (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x,y,z+1/2;-mx,-my,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) 32z (x,y,1/4;mx,my,0) (x,-y,3/4;mx,-my,0) (-x,y,3/4;-mx,my,0) (-x,-y,1/4;-mx,-my,0) (-x,-y,3/4;mx,my,0) (-x,y,1/4;mx,-my,0) (x,-y,1/4;-mx,my,0) (x,y,3/4;-mx,-my,0) 32y (x,y,0;0,0,mz) (x,-y,0;0,0,-mz) (-x,y,0;0,0,-mz) (-x,-y,0;0,0,mz) (x,y,1/2;0,0,-mz) (x+1/2,-y+1/2,1/2;0,0,mz) (-x+1/2,y+1/2,1/2;0,0,mz) (-x+1/2,-y+1/2,1/2;0,0,-mz) 32x (x,1/4,z;mx,0,mz) (x,3/4,-z;mx,0,-mz) (-x,1/4,-z;-mx,0,-mz) (-x,3/4,z;-mx,0,mz) (-x,3/4,-z;mx,0,mz) (-x,1/4,z;mx,0,-mz) (x,3/4,z;-mx,0,-mz) (x,1/4,-z;-mx,0,mz) 32w (x,0,z;0,my,0) (x,0,-z;0,-my,0) (-x,0,-z;0,my,0) (-x,0,z;0,-my,0) (x,0,z+1/2;0,-my,0) (x+1/2,1/2,-z+1/2;0,my,0) (-x+1/2,1/2,-z+1/2;0,-my,0) (-x+1/2,1/2,z+1/2;0,my,0) 32v (1/4,y,z;0,my,mz) (1/4,-y,-z;0,-my,-mz) (3/4,y,-z;0,my,-mz) (3/4,-y,z;0,-my,mz) (3/4,-y,-z;0,my,mz) (3/4,y,z;0,-my,-mz) (1/4,-y,z;0,my,-mz) (1/4,y,-z;0,-my,mz) 32u (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (0,y,-z;-mx,0,0) (0,-y,z;-mx,0,0) (0,y,z+1/2;-mx,0,0) (1/2,-y+1/2,-z+1/2;-mx,0,0) (1/2,y+1/2,-z+1/2;mx,0,0) (1/2,-y+1/2,z+1/2;mx,0,0) 16t (1/4,1/4,z;0,0,mz) (1/4,3/4,-z;0,0,-mz) (3/4,3/4,-z;0,0,mz) (3/4,1/4,z;0,0,-mz) 16s (1/4,0,z;0,my,0) (1/4,0,-z;0,-my,0) (3/4,0,-z;0,my,0) (3/4,0,z;0,-my,0) 16r (0,1/4,z;mx,0,0) (0,3/4,-z;mx,0,0) (0,1/4,-z;-mx,0,0) (0,3/4,z;-mx,0,0) 16q (0,0,z;0,0,0) (0,0,-z;0,0,0) (0,0,z+1/2;0,0,0) (1/2,1/2,-z+1/2;0,0,0) 16p (1/4,y,1/4;0,my,0) (1/4,-y,3/4;0,-my,0) (3/4,-y,3/4;0,my,0) (3/4,y,1/4;0,-my,0) 16o (1/4,y,0;0,0,mz) (1/4,-y,0;0,0,-mz) (3/4,y,0;0,0,-mz) (3/4,-y,0;0,0,mz) 16n (0,y,1/4;mx,0,0) (0,-y,3/4;mx,0,0) (0,y,3/4;-mx,0,0) (0,-y,1/4;-mx,0,0) 16m (0,y,0;0,0,0) (0,-y,0;0,0,0) (0,y,1/2;0,0,0) (1/2,-y+1/2,1/2;0,0,0) 16l (x,1/4,1/4;mx,0,0) (-x,1/4,3/4;-mx,0,0) (-x,3/4,3/4;mx,0,0) (x,3/4,1/4;-mx,0,0) 16k (x,1/4,0;0,0,mz) (x,3/4,0;0,0,-mz) (-x,1/4,0;0,0,-mz) (-x,3/4,0;0,0,mz) 16j (x,0,1/4;0,my,0) (x,0,3/4;0,-my,0) (-x,0,3/4;0,my,0) (-x,0,1/4;0,-my,0) 16i (x,0,0;0,0,0) (-x,0,0;0,0,0) (x,0,1/2;0,0,0) (-x+1/2,1/2,1/2;0,0,0) 8h (1/4,1/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) 8g (0,1/4,1/4;mx,0,0) (0,1/4,3/4;-mx,0,0) 8f (1/4,1/4,0;0,0,mz) (1/4,3/4,0;0,0,-mz) 8e (0,1/4,0;0,0,0) (0,3/4,0;0,0,0) 8d (1/4,0,1/4;0,my,0) (1/4,0,3/4;0,-my,0) 8c (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 8b (1/4,0,0;0,0,0) (3/4,0,0;0,0,0) 8a (0,0,0;0,0,0) (0,0,1/2;0,0,0) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (-1|0,0,0) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (1|1,1,1)' (2x|1,1,1)' (2y|1,1,1)' (2z|1,1,1)' (-1|1,1,1)' (mx|1,1,1)' (my|1,1,1)' (mz|1,1,1)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,2,0)+ (0,0,2)+ (0,1,1)+ (1,0,1)+ (1,1,0)+ 64alpha (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x+1,y+1,z+1;-mx,-my,-mz) (x+1,-y+1,-z+1;-mx,my,mz) (-x+1,y+1,-z+1;mx,-my,mz) (-x+1,-y+1,z+1;mx,my,-mz) (-x+1,-y+1,-z+1;-mx,-my,-mz) (-x+1,y+1,z+1;-mx,my,mz) (x+1,-y+1,z+1;mx,-my,mz) (x+1,y+1,-z+1;mx,my,-mz) 32z (x,y,1/2;mx,my,0) (x,-y,-1/2;mx,-my,0) (-x,y,-1/2;-mx,my,0) (-x,-y,1/2;-mx,-my,0) (-x,-y,-1/2;mx,my,0) (-x,y,1/2;mx,-my,0) (x,-y,1/2;-mx,my,0) (x,y,-1/2;-mx,-my,0) 32y (x,y,0;0,0,mz) (x,-y,0;0,0,-mz) (-x,y,0;0,0,-mz) (-x,-y,0;0,0,mz) (x+1,y+1,1;0,0,-mz) (x+1,-y+1,1;0,0,mz) (-x+1,y+1,1;0,0,mz) (-x+1,-y+1,1;0,0,-mz) 32x (x,1/2,z;mx,0,mz) (x,-1/2,-z;mx,0,-mz) (-x,1/2,-z;-mx,0,-mz) (-x,-1/2,z;-mx,0,mz) (-x,-1/2,-z;mx,0,mz) (-x,1/2,z;mx,0,-mz) (x,-1/2,z;-mx,0,-mz) (x,1/2,-z;-mx,0,mz) 32w (x,0,z;0,my,0) (x,0,-z;0,-my,0) (-x,0,-z;0,my,0) (-x,0,z;0,-my,0) (x+1,1,z+1;0,-my,0) (x+1,1,-z+1;0,my,0) (-x+1,1,-z+1;0,-my,0) (-x+1,1,z+1;0,my,0) 32v (1/2,y,z;0,my,mz) (1/2,-y,-z;0,-my,-mz) (-1/2,y,-z;0,my,-mz) (-1/2,-y,z;0,-my,mz) (-1/2,-y,-z;0,my,mz) (-1/2,y,z;0,-my,-mz) (1/2,-y,z;0,my,-mz) (1/2,y,-z;0,-my,mz) 32u (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (0,y,-z;-mx,0,0) (0,-y,z;-mx,0,0) (1,y+1,z+1;-mx,0,0) (1,-y+1,-z+1;-mx,0,0) (1,y+1,-z+1;mx,0,0) (1,-y+1,z+1;mx,0,0) 16t (1/2,1/2,z;0,0,mz) (1/2,-1/2,-z;0,0,-mz) (-1/2,-1/2,-z;0,0,mz) (-1/2,1/2,z;0,0,-mz) 16s (1/2,0,z;0,my,0) (1/2,0,-z;0,-my,0) (-1/2,0,-z;0,my,0) (-1/2,0,z;0,-my,0) 16r (0,1/2,z;mx,0,0) (0,-1/2,-z;mx,0,0) (0,1/2,-z;-mx,0,0) (0,-1/2,z;-mx,0,0) 16q (0,0,z;0,0,0) (0,0,-z;0,0,0) (1,1,z+1;0,0,0) (1,1,-z+1;0,0,0) 16p (1/2,y,1/2;0,my,0) (1/2,-y,-1/2;0,-my,0) (-1/2,-y,-1/2;0,my,0) (-1/2,y,1/2;0,-my,0) 16o (1/2,y,0;0,0,mz) (1/2,-y,0;0,0,-mz) (-1/2,y,0;0,0,-mz) (-1/2,-y,0;0,0,mz) 16n (0,y,1/2;mx,0,0) (0,-y,-1/2;mx,0,0) (0,y,-1/2;-mx,0,0) (0,-y,1/2;-mx,0,0) 16m (0,y,0;0,0,0) (0,-y,0;0,0,0) (1,y+1,1;0,0,0) (1,-y+1,1;0,0,0) 16l (x,1/2,1/2;mx,0,0) (-x,1/2,-1/2;-mx,0,0) (-x,-1/2,-1/2;mx,0,0) (x,-1/2,1/2;-mx,0,0) 16k (x,1/2,0;0,0,mz) (x,-1/2,0;0,0,-mz) (-x,1/2,0;0,0,-mz) (-x,-1/2,0;0,0,mz) 16j (x,0,1/2;0,my,0) (x,0,-1/2;0,-my,0) (-x,0,-1/2;0,my,0) (-x,0,1/2;0,-my,0) 16i (x,0,0;0,0,0) (-x,0,0;0,0,0) (x+1,1,1;0,0,0) (-x+1,1,1;0,0,0) 8h (1/2,1/2,1/2;0,0,0) (-1/2,-1/2,-1/2;0,0,0) 8g (0,1/2,1/2;mx,0,0) (0,1/2,-1/2;-mx,0,0) 8f (1/2,1/2,0;0,0,mz) (1/2,-1/2,0;0,0,-mz) 8e (0,1/2,0;0,0,0) (0,-1/2,0;0,0,0) 8d (1/2,0,1/2;0,my,0) (1/2,0,-1/2;0,-my,0) 8c (0,0,1/2;0,0,0) (0,0,-1/2;0,0,0) 8b (1/2,0,0;0,0,0) (-1/2,0,0;0,0,0) 8a (0,0,0;0,0,0) (1,1,1;0,0,0) ---------- UNI: 70.527 Fddd.1 BNS: 70.527 Fddd OG: 70.1.616 Fddd Operators: (1|0,0,0) (2x|0,3/4,3/4) (2y|3/4,0,3/4) (2z|3/4,3/4,0) (-1|0,0,0) (mx|0,1/4,1/4) (my|1/4,0,1/4) (mz|1/4,1/4,0) Wyckoff positions: (0,0,0)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 32h (x,y,z;mx,my,mz) (x,-y+3/4,-z+3/4;mx,-my,-mz) (-x+3/4,y,-z+3/4;-mx,my,-mz) (-x+3/4,-y+3/4,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y+1/4,z+1/4;mx,-my,-mz) (x+1/4,-y,z+1/4;-mx,my,-mz) (x+1/4,y+1/4,-z;-mx,-my,mz) 16g (1/8,1/8,z;0,0,mz) (1/8,5/8,-z+3/4;0,0,-mz) (7/8,7/8,-z;0,0,mz) (7/8,3/8,z+1/4;0,0,-mz) 16f (1/8,y,1/8;0,my,0) (1/8,-y+3/4,5/8;0,-my,0) (7/8,-y,7/8;0,my,0) (7/8,y+1/4,3/8;0,-my,0) 16e (x,1/8,1/8;mx,0,0) (-x+3/4,1/8,5/8;-mx,0,0) (-x,7/8,7/8;mx,0,0) (x+1/4,7/8,3/8;-mx,0,0) 16d (1/2,1/2,1/2;mx,my,mz) (1/2,1/4,1/4;mx,-my,-mz) (1/4,1/2,1/4;-mx,my,-mz) (1/4,1/4,1/2;-mx,-my,mz) 16c (0,0,0;mx,my,mz) (0,3/4,3/4;mx,-my,-mz) (3/4,0,3/4;-mx,my,-mz) (3/4,3/4,0;-mx,-my,mz) 8b (1/8,1/8,5/8;0,0,0) (7/8,7/8,3/8;0,0,0) 8a (1/8,1/8,1/8;0,0,0) (7/8,7/8,7/8;0,0,0) ---------- UNI: 70.528 Fddd.1' BNS: 70.528 Fddd1' OG: 70.2.617 Fddd1' Operators: (1|0,0,0) (2x|0,3/4,3/4) (2y|3/4,0,3/4) (2z|3/4,3/4,0) (-1|0,0,0) (mx|0,1/4,1/4) (my|1/4,0,1/4) (mz|1/4,1/4,0) (1|0,0,0)' (2x|0,3/4,3/4)' (2y|3/4,0,3/4)' (2z|3/4,3/4,0)' (-1|0,0,0)' (mx|0,1/4,1/4)' (my|1/4,0,1/4)' (mz|1/4,1/4,0)' Wyckoff positions: (0,0,0)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 32h (x,y,z;0,0,0) (x,-y+3/4,-z+3/4;0,0,0) (-x+3/4,y,-z+3/4;0,0,0) (-x+3/4,-y+3/4,z;0,0,0) (-x,-y,-z;0,0,0) (-x,y+1/4,z+1/4;0,0,0) (x+1/4,-y,z+1/4;0,0,0) (x+1/4,y+1/4,-z;0,0,0) 16g (1/8,1/8,z;0,0,0) (1/8,5/8,-z+3/4;0,0,0) (7/8,7/8,-z;0,0,0) (7/8,3/8,z+1/4;0,0,0) 16f (1/8,y,1/8;0,0,0) (1/8,-y+3/4,5/8;0,0,0) (7/8,-y,7/8;0,0,0) (7/8,y+1/4,3/8;0,0,0) 16e (x,1/8,1/8;0,0,0) (-x+3/4,1/8,5/8;0,0,0) (-x,7/8,7/8;0,0,0) (x+1/4,7/8,3/8;0,0,0) 16d (1/2,1/2,1/2;0,0,0) (1/2,1/4,1/4;0,0,0) (1/4,1/2,1/4;0,0,0) (1/4,1/4,1/2;0,0,0) 16c (0,0,0;0,0,0) (0,3/4,3/4;0,0,0) (3/4,0,3/4;0,0,0) (3/4,3/4,0;0,0,0) 8b (1/8,1/8,5/8;0,0,0) (7/8,7/8,3/8;0,0,0) 8a (1/8,1/8,1/8;0,0,0) (7/8,7/8,7/8;0,0,0) ---------- UNI: 70.529 Fd'dd BNS: 70.529 Fd'dd OG: 70.3.618 Fd'dd Operators: (1|0,0,0) (2x|0,3/4,3/4) (2y|3/4,0,3/4)' (2z|3/4,3/4,0)' (-1|0,0,0)' (mx|0,1/4,1/4)' (my|1/4,0,1/4) (mz|1/4,1/4,0) Wyckoff positions: (0,0,0)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 32h (x,y,z;mx,my,mz) (x,-y+3/4,-z+3/4;mx,-my,-mz) (-x+3/4,y,-z+3/4;mx,-my,mz) (-x+3/4,-y+3/4,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x,y+1/4,z+1/4;-mx,my,mz) (x+1/4,-y,z+1/4;-mx,my,-mz) (x+1/4,y+1/4,-z;-mx,-my,mz) 16g (1/8,1/8,z;mx,my,0) (1/8,5/8,-z+3/4;mx,-my,0) (3/8,3/8,-z;-mx,-my,0) (3/8,7/8,z+1/4;-mx,my,0) 16f (1/8,y,1/8;mx,0,mz) (1/8,-y+3/4,5/8;mx,0,-mz) (3/8,-y,3/8;-mx,0,-mz) (3/8,y+1/4,7/8;-mx,0,mz) 16e (x,1/8,1/8;mx,0,0) (-x+3/4,1/8,5/8;mx,0,0) (-x,7/8,7/8;-mx,0,0) (x+1/4,7/8,3/8;-mx,0,0) 16d (1/2,1/2,1/2;0,0,0) (1/2,1/4,1/4;0,0,0) (3/4,1/2,3/4;0,0,0) (3/4,3/4,1/2;0,0,0) 16c (0,0,0;0,0,0) (0,3/4,3/4;0,0,0) (1/4,0,1/4;0,0,0) (1/4,1/4,0;0,0,0) 8b (1/8,1/8,5/8;mx,0,0) (3/8,7/8,7/8;-mx,0,0) 8a (1/8,1/8,1/8;mx,0,0) (3/8,7/8,3/8;-mx,0,0) ---------- UNI: 70.530 Fd'd'd BNS: 70.530 Fd'd'd OG: 70.4.619 Fd'd'd Operators: (1|0,0,0) (2x|0,3/4,3/4)' (2y|3/4,0,3/4)' (2z|3/4,3/4,0) (-1|0,0,0) (mx|0,1/4,1/4)' (my|1/4,0,1/4)' (mz|1/4,1/4,0) Wyckoff positions: (0,0,0)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 32h (x,y,z;mx,my,mz) (x,-y+3/4,-z+3/4;-mx,my,mz) (-x+3/4,y,-z+3/4;mx,-my,mz) (-x+3/4,-y+3/4,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y+1/4,z+1/4;-mx,my,mz) (x+1/4,-y,z+1/4;mx,-my,mz) (x+1/4,y+1/4,-z;-mx,-my,mz) 16g (1/8,1/8,z;0,0,mz) (1/8,5/8,-z+3/4;0,0,mz) (7/8,7/8,-z;0,0,mz) (7/8,3/8,z+1/4;0,0,mz) 16f (1/8,y,1/8;mx,0,mz) (5/8,-y+3/4,1/8;-mx,0,mz) (7/8,-y,7/8;mx,0,mz) (3/8,y+1/4,7/8;-mx,0,mz) 16e (x,1/8,1/8;0,my,mz) (-x+3/4,5/8,1/8;0,-my,mz) (-x,7/8,7/8;0,my,mz) (x+1/4,3/8,7/8;0,-my,mz) 16d (1/2,1/2,1/2;mx,my,mz) (1/2,1/4,1/4;-mx,my,mz) (1/4,1/2,1/4;mx,-my,mz) (1/4,1/4,1/2;-mx,-my,mz) 16c (0,0,0;mx,my,mz) (0,3/4,3/4;-mx,my,mz) (3/4,0,3/4;mx,-my,mz) (3/4,3/4,0;-mx,-my,mz) 8b (1/8,1/8,5/8;0,0,mz) (7/8,7/8,3/8;0,0,mz) 8a (1/8,1/8,1/8;0,0,mz) (7/8,7/8,7/8;0,0,mz) ---------- UNI: 70.531 Fd'd'd' BNS: 70.531 Fd'd'd' OG: 70.5.620 Fd'd'd' Operators: (1|0,0,0) (2x|0,3/4,3/4) (2y|3/4,0,3/4) (2z|3/4,3/4,0) (-1|0,0,0)' (mx|0,1/4,1/4)' (my|1/4,0,1/4)' (mz|1/4,1/4,0)' Wyckoff positions: (0,0,0)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 32h (x,y,z;mx,my,mz) (x,-y+3/4,-z+3/4;mx,-my,-mz) (-x+3/4,y,-z+3/4;-mx,my,-mz) (-x+3/4,-y+3/4,z;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x,y+1/4,z+1/4;-mx,my,mz) (x+1/4,-y,z+1/4;mx,-my,mz) (x+1/4,y+1/4,-z;mx,my,-mz) 16g (1/8,1/8,z;0,0,mz) (1/8,5/8,-z+3/4;0,0,-mz) (7/8,7/8,-z;0,0,-mz) (7/8,3/8,z+1/4;0,0,mz) 16f (1/8,y,1/8;0,my,0) (1/8,-y+3/4,5/8;0,-my,0) (7/8,-y,7/8;0,-my,0) (7/8,y+1/4,3/8;0,my,0) 16e (x,1/8,1/8;mx,0,0) (-x+3/4,1/8,5/8;-mx,0,0) (-x,7/8,7/8;-mx,0,0) (x+1/4,7/8,3/8;mx,0,0) 16d (1/2,1/2,1/2;0,0,0) (1/2,1/4,1/4;0,0,0) (1/4,1/2,1/4;0,0,0) (1/4,1/4,1/2;0,0,0) 16c (0,0,0;0,0,0) (0,3/4,3/4;0,0,0) (3/4,0,3/4;0,0,0) (3/4,3/4,0;0,0,0) 8b (1/8,1/8,5/8;0,0,0) (7/8,7/8,3/8;0,0,0) 8a (1/8,1/8,1/8;0,0,0) (7/8,7/8,7/8;0,0,0) ---------- UNI: 70.532 Fddd.1'_I[Pnnn] BNS: 70.532 F_Sddd OG: 48.6.363 P_Fnnn OG-BNS transformation: (-3/2,-3/2,-3/2;2a,2b,2c) Operators (BNS): (1|0,0,0) (2x|0,3/4,3/4) (2y|3/4,0,3/4) (2z|3/4,3/4,0) (-1|0,0,0) (mx|0,1/4,1/4) (my|1/4,0,1/4) (mz|1/4,1/4,0) (1|0,0,1/2)' (2x|1/2,1/4,1/4)' (2y|1/4,1/2,1/4)' (2z|1/4,1/4,1/2)' (-1|1/2,1/2,1/2)' (mx|1/2,3/4,3/4)' (my|3/4,1/2,3/4)' (mz|3/4,3/4,1/2)' Wyckoff positions (BNS): (0,0,0)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 64m (x,y,z;mx,my,mz) (x,-y+3/4,-z+3/4;mx,-my,-mz) (-x+3/4,y,-z+3/4;-mx,my,-mz) (-x+3/4,-y+3/4,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y+1/4,z+1/4;mx,-my,-mz) (x+1/4,-y,z+1/4;-mx,my,-mz) (x+1/4,y+1/4,-z;-mx,-my,mz) (x,y,z+1/2;-mx,-my,-mz) (x+1/2,-y+1/4,-z+1/4;-mx,my,mz) (-x+1/4,y+1/2,-z+1/4;mx,-my,mz) (-x+1/4,-y+1/4,z+1/2;mx,my,-mz) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (-x+1/2,y+3/4,z+3/4;-mx,my,mz) (x+3/4,-y+1/2,z+3/4;mx,-my,mz) (x+3/4,y+3/4,-z+1/2;mx,my,-mz) 32l (7/8,1/8,z;mx,my,0) (7/8,5/8,-z+3/4;mx,-my,0) (7/8,1/8,-z+3/4;-mx,my,0) (7/8,5/8,z;-mx,-my,0) (1/8,7/8,-z;mx,my,0) (1/8,3/8,z+1/4;mx,-my,0) (1/8,7/8,z+1/4;-mx,my,0) (1/8,3/8,-z;-mx,-my,0) 32k (7/8,7/8,z;0,0,mz) (7/8,7/8,-z+3/4;0,0,-mz) (1/8,1/8,-z;0,0,mz) (1/8,1/8,z+1/4;0,0,-mz) (7/8,7/8,z+1/2;0,0,-mz) (3/8,3/8,-z+1/4;0,0,mz) (5/8,5/8,-z+1/2;0,0,-mz) (5/8,5/8,z+3/4;0,0,mz) 32j (1/8,y,7/8;mx,0,mz) (1/8,-y+3/4,7/8;mx,0,-mz) (5/8,y,7/8;-mx,0,-mz) (5/8,-y+3/4,7/8;-mx,0,mz) (7/8,-y,1/8;mx,0,mz) (7/8,y+1/4,1/8;mx,0,-mz) (3/8,-y,1/8;-mx,0,-mz) (3/8,y+1/4,1/8;-mx,0,mz) 32i (7/8,y,7/8;0,my,0) (7/8,-y+3/4,7/8;0,-my,0) (1/8,-y,1/8;0,my,0) (1/8,y+1/4,1/8;0,-my,0) (7/8,y,3/8;0,-my,0) (3/8,-y+1/4,3/8;0,my,0) (5/8,-y+1/2,5/8;0,-my,0) (5/8,y+3/4,5/8;0,my,0) 32h (x,7/8,1/8;0,my,mz) (x,7/8,5/8;0,-my,-mz) (-x+3/4,7/8,5/8;0,my,-mz) (-x+3/4,7/8,1/8;0,-my,mz) (-x,1/8,7/8;0,my,mz) (-x,1/8,3/8;0,-my,-mz) (x+1/4,1/8,3/8;0,my,-mz) (x+1/4,1/8,7/8;0,-my,mz) 32g (x,7/8,7/8;mx,0,0) (-x+3/4,7/8,7/8;-mx,0,0) (-x,1/8,1/8;mx,0,0) (x+1/4,1/8,1/8;-mx,0,0) (x,7/8,3/8;-mx,0,0) (-x+1/4,3/8,3/8;mx,0,0) (-x+1/2,5/8,5/8;-mx,0,0) (x+3/4,5/8,5/8;mx,0,0) 32f (3/4,3/4,3/4;0,0,0) (3/4,0,0;0,0,0) (0,3/4,0;0,0,0) (0,0,3/4;0,0,0) (1/4,1/4,1/4;0,0,0) (1/4,0,0;0,0,0) (0,1/4,0;0,0,0) (0,0,1/4;0,0,0) 32e (0,0,0;mx,my,mz) (0,3/4,3/4;mx,-my,-mz) (3/4,0,3/4;-mx,my,-mz) (3/4,3/4,0;-mx,-my,mz) (0,0,1/2;-mx,-my,-mz) (1/2,1/4,1/4;-mx,my,mz) (1/4,1/2,1/4;mx,-my,mz) (1/4,1/4,1/2;mx,my,-mz) 16d (7/8,1/8,7/8;0,my,0) (7/8,5/8,7/8;0,-my,0) (1/8,7/8,1/8;0,my,0) (1/8,3/8,1/8;0,-my,0) 16c (7/8,7/8,1/8;0,0,mz) (7/8,7/8,5/8;0,0,-mz) (1/8,1/8,7/8;0,0,mz) (1/8,1/8,3/8;0,0,-mz) 16b (1/8,7/8,7/8;mx,0,0) (5/8,7/8,7/8;-mx,0,0) (7/8,1/8,1/8;mx,0,0) (3/8,1/8,1/8;-mx,0,0) 16a (7/8,7/8,7/8;0,0,0) (1/8,1/8,1/8;0,0,0) (7/8,7/8,3/8;0,0,0) (5/8,5/8,5/8;0,0,0) Operators (OG): (1|0,0,0) (2x|0,1/2,1/2) (2y|1/2,0,1/2) (2z|1/2,1/2,0) (-1|1,1,1) (mx|1,3/2,3/2) (my|3/2,1,3/2) (mz|3/2,3/2,1) (1|1,1,1)' (2x|1,3/2,3/2)' (2y|3/2,1,3/2)' (2z|3/2,3/2,1)' (-1|0,0,0)' (mx|0,1/2,1/2)' (my|1/2,0,1/2)' (mz|1/2,1/2,0)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,2,0)+ (0,0,2)+ (0,1,1)+ (1,0,1)+ (1,1,0)+ 64m (x,y,z;mx,my,mz) (x,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x+1,-y+1,-z+1;mx,my,mz) (-x+1,y+3/2,z+3/2;mx,-my,-mz) (x+3/2,-y+1,z+3/2;-mx,my,-mz) (x+3/2,y+3/2,-z+1;-mx,-my,mz) (x+1,y+1,z+1;-mx,-my,-mz) (x+1,-y+3/2,-z+3/2;-mx,my,mz) (-x+3/2,y+1,-z+3/2;mx,-my,mz) (-x+3/2,-y+3/2,z+1;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z;mx,my,-mz) 32l (1/4,3/4,z;mx,my,0) (1/4,-1/4,-z+1/2;mx,-my,0) (1/4,3/4,-z+1/2;-mx,my,0) (1/4,-1/4,z;-mx,-my,0) (3/4,1/4,-z+1;mx,my,0) (3/4,9/4,z+3/2;mx,-my,0) (7/4,1/4,z+3/2;-mx,my,0) (7/4,9/4,-z+1;-mx,-my,0) 32k (1/4,1/4,z;0,0,mz) (1/4,1/4,-z+1/2;0,0,-mz) (3/4,3/4,-z+1;0,0,mz) (3/4,7/4,z+3/2;0,0,-mz) (5/4,5/4,z+1;0,0,-mz) (5/4,5/4,-z+3/2;0,0,mz) (-1/4,-1/4,-z;0,0,-mz) (-1/4,3/4,z+1/2;0,0,mz) 32j (3/4,y,1/4;mx,0,mz) (3/4,-y+1/2,1/4;mx,0,-mz) (-1/4,y,1/4;-mx,0,-mz) (-1/4,-y+1/2,1/4;-mx,0,mz) (1/4,-y+1,3/4;mx,0,mz) (1/4,y+3/2,7/4;mx,0,-mz) (9/4,-y+1,7/4;-mx,0,-mz) (9/4,y+3/2,3/4;-mx,0,mz) 32i (1/4,y,1/4;0,my,0) (1/4,-y+1/2,1/4;0,-my,0) (3/4,-y+1,3/4;0,my,0) (3/4,y+3/2,7/4;0,-my,0) (5/4,y+1,5/4;0,-my,0) (5/4,-y+3/2,5/4;0,my,0) (-1/4,-y,-1/4;0,-my,0) (-1/4,y+1/2,3/4;0,my,0) 32h (x,1/4,3/4;0,my,mz) (x,1/4,-1/4;0,-my,-mz) (-x+1/2,1/4,-1/4;0,my,-mz) (-x+1/2,1/4,3/4;0,-my,mz) (-x+1,3/4,1/4;0,my,mz) (-x+1,7/4,9/4;0,-my,-mz) (x+3/2,3/4,9/4;0,my,-mz) (x+3/2,7/4,1/4;0,-my,mz) 32g (x,1/4,1/4;mx,0,0) (-x+1/2,1/4,1/4;-mx,0,0) (-x+1,3/4,3/4;mx,0,0) (x+3/2,3/4,7/4;-mx,0,0) (x+1,5/4,5/4;-mx,0,0) (-x+3/2,5/4,5/4;mx,0,0) (-x,-1/4,-1/4;-mx,0,0) (x+1/2,-1/4,3/4;mx,0,0) 32f (0,0,0;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) (1,1,1;0,0,0) (1,3/2,3/2;0,0,0) (3/2,1,3/2;0,0,0) (3/2,3/2,1;0,0,0) 32e (1/2,1/2,1/2;mx,my,mz) (1/2,0,0;mx,-my,-mz) (0,1/2,0;-mx,my,-mz) (0,0,1/2;-mx,-my,mz) (3/2,3/2,3/2;-mx,-my,-mz) (3/2,1,1;-mx,my,mz) (1,3/2,1;mx,-my,mz) (1,1,3/2;mx,my,-mz) 16d (1/4,3/4,1/4;0,my,0) (1/4,-1/4,1/4;0,-my,0) (3/4,1/4,3/4;0,my,0) (3/4,9/4,7/4;0,-my,0) 16c (1/4,1/4,3/4;0,0,mz) (1/4,1/4,-1/4;0,0,-mz) (3/4,3/4,1/4;0,0,mz) (3/4,7/4,9/4;0,0,-mz) 16b (3/4,1/4,1/4;mx,0,0) (-1/4,1/4,1/4;-mx,0,0) (1/4,3/4,3/4;mx,0,0) (9/4,3/4,7/4;-mx,0,0) 16a (1/4,1/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) (5/4,5/4,5/4;0,0,0) (-1/4,-1/4,-1/4;0,0,0) ---------- UNI: 71.533 Immm.1 BNS: 71.533 Immm OG: 71.1.621 Immm Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (-1|0,0,0) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) Wyckoff positions: (0,0,0)+ (1/2,1/2,1/2)+ 16o (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) 8n (x,y,0;0,0,mz) (x,-y,0;0,0,-mz) (-x,y,0;0,0,-mz) (-x,-y,0;0,0,mz) 8m (x,0,z;0,my,0) (x,0,-z;0,-my,0) (-x,0,-z;0,my,0) (-x,0,z;0,-my,0) 8l (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (0,y,-z;-mx,0,0) (0,-y,z;-mx,0,0) 8k (1/4,1/4,1/4;mx,my,mz) (1/4,3/4,3/4;mx,-my,-mz) (3/4,1/4,3/4;-mx,my,-mz) (3/4,3/4,1/4;-mx,-my,mz) 4j (1/2,0,z;0,0,0) (1/2,0,-z;0,0,0) 4i (0,0,z;0,0,0) (0,0,-z;0,0,0) 4h (0,y,1/2;0,0,0) (0,-y,1/2;0,0,0) 4g (0,y,0;0,0,0) (0,-y,0;0,0,0) 4f (x,1/2,0;0,0,0) (-x,1/2,0;0,0,0) 4e (x,0,0;0,0,0) (-x,0,0;0,0,0) 2d (1/2,0,1/2;0,0,0) 2c (1/2,1/2,0;0,0,0) 2b (0,1/2,1/2;0,0,0) 2a (0,0,0;0,0,0) ---------- UNI: 71.534 Immm.1' BNS: 71.534 Immm1' OG: 71.2.622 Immm1' Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (-1|0,0,0) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (1|0,0,0)' (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,0)' (-1|0,0,0)' (mx|0,0,0)' (my|0,0,0)' (mz|0,0,0)' Wyckoff positions: (0,0,0)+ (1/2,1/2,1/2)+ 16o (x,y,z;0,0,0) (x,-y,-z;0,0,0) (-x,y,-z;0,0,0) (-x,-y,z;0,0,0) (-x,-y,-z;0,0,0) (-x,y,z;0,0,0) (x,-y,z;0,0,0) (x,y,-z;0,0,0) 8n (x,y,0;0,0,0) (x,-y,0;0,0,0) (-x,y,0;0,0,0) (-x,-y,0;0,0,0) 8m (x,0,z;0,0,0) (x,0,-z;0,0,0) (-x,0,-z;0,0,0) (-x,0,z;0,0,0) 8l (0,y,z;0,0,0) (0,-y,-z;0,0,0) (0,y,-z;0,0,0) (0,-y,z;0,0,0) 8k (1/4,1/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) (3/4,1/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) 4j (1/2,0,z;0,0,0) (1/2,0,-z;0,0,0) 4i (0,0,z;0,0,0) (0,0,-z;0,0,0) 4h (0,y,1/2;0,0,0) (0,-y,1/2;0,0,0) 4g (0,y,0;0,0,0) (0,-y,0;0,0,0) 4f (x,1/2,0;0,0,0) (-x,1/2,0;0,0,0) 4e (x,0,0;0,0,0) (-x,0,0;0,0,0) 2d (1/2,0,1/2;0,0,0) 2c (1/2,1/2,0;0,0,0) 2b (0,1/2,1/2;0,0,0) 2a (0,0,0;0,0,0) ---------- UNI: 71.535 Im'mm BNS: 71.535 Im'mm OG: 71.3.623 Im'mm Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,0)' (2z|0,0,0)' (-1|0,0,0)' (mx|0,0,0)' (my|0,0,0) (mz|0,0,0) Wyckoff positions: (0,0,0)+ (1/2,1/2,1/2)+ 16o (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;mx,-my,mz) (-x,-y,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) 8n (x,y,0;0,0,mz) (x,-y,0;0,0,-mz) (-x,y,0;0,0,mz) (-x,-y,0;0,0,-mz) 8m (x,0,z;0,my,0) (x,0,-z;0,-my,0) (-x,0,-z;0,-my,0) (-x,0,z;0,my,0) 8l (0,y,z;0,my,mz) (0,-y,-z;0,-my,-mz) (0,y,-z;0,-my,mz) (0,-y,z;0,my,-mz) 8k (1/4,1/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) (1/4,3/4,1/4;0,0,0) (1/4,1/4,3/4;0,0,0) 4j (1/2,0,z;0,my,0) (1/2,0,-z;0,-my,0) 4i (0,0,z;0,my,0) (0,0,-z;0,-my,0) 4h (0,y,1/2;0,0,mz) (0,-y,1/2;0,0,-mz) 4g (0,y,0;0,0,mz) (0,-y,0;0,0,-mz) 4f (x,1/2,0;0,0,0) (-x,1/2,0;0,0,0) 4e (x,0,0;0,0,0) (-x,0,0;0,0,0) 2d (1/2,0,1/2;0,0,0) 2c (1/2,1/2,0;0,0,0) 2b (0,1/2,1/2;0,0,0) 2a (0,0,0;0,0,0) ---------- UNI: 71.536 Im'm'm BNS: 71.536 Im'm'm OG: 71.4.624 Im'm'm Operators: (1|0,0,0) (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,0) (-1|0,0,0) (mx|0,0,0)' (my|0,0,0)' (mz|0,0,0) Wyckoff positions: (0,0,0)+ (1/2,1/2,1/2)+ 16o (x,y,z;mx,my,mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x,y,-z;-mx,-my,mz) 8n (x,y,0;0,0,mz) (x,-y,0;0,0,mz) (-x,y,0;0,0,mz) (-x,-y,0;0,0,mz) 8m (x,0,z;mx,0,mz) (x,0,-z;-mx,0,mz) (-x,0,-z;mx,0,mz) (-x,0,z;-mx,0,mz) 8l (0,y,z;0,my,mz) (0,-y,-z;0,my,mz) (0,y,-z;0,-my,mz) (0,-y,z;0,-my,mz) 8k (1/4,1/4,1/4;mx,my,mz) (1/4,3/4,3/4;-mx,my,mz) (3/4,1/4,3/4;mx,-my,mz) (3/4,3/4,1/4;-mx,-my,mz) 4j (1/2,0,z;0,0,mz) (1/2,0,-z;0,0,mz) 4i (0,0,z;0,0,mz) (0,0,-z;0,0,mz) 4h (0,y,1/2;0,0,mz) (0,-y,1/2;0,0,mz) 4g (0,y,0;0,0,mz) (0,-y,0;0,0,mz) 4f (x,1/2,0;0,0,mz) (-x,1/2,0;0,0,mz) 4e (x,0,0;0,0,mz) (-x,0,0;0,0,mz) 2d (1/2,0,1/2;0,0,mz) 2c (1/2,1/2,0;0,0,mz) 2b (0,1/2,1/2;0,0,mz) 2a (0,0,0;0,0,mz) ---------- UNI: 71.537 Im'm'm' BNS: 71.537 Im'm'm' OG: 71.5.625 Im'm'm' Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (-1|0,0,0)' (mx|0,0,0)' (my|0,0,0)' (mz|0,0,0)' Wyckoff positions: (0,0,0)+ (1/2,1/2,1/2)+ 16o (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x,y,-z;mx,my,-mz) 8n (x,y,0;mx,my,0) (x,-y,0;mx,-my,0) (-x,y,0;-mx,my,0) (-x,-y,0;-mx,-my,0) 8m (x,0,z;mx,0,mz) (x,0,-z;mx,0,-mz) (-x,0,-z;-mx,0,-mz) (-x,0,z;-mx,0,mz) 8l (0,y,z;0,my,mz) (0,-y,-z;0,-my,-mz) (0,y,-z;0,my,-mz) (0,-y,z;0,-my,mz) 8k (1/4,1/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) (3/4,1/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) 4j (1/2,0,z;0,0,mz) (1/2,0,-z;0,0,-mz) 4i (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) 4h (0,y,1/2;0,my,0) (0,-y,1/2;0,-my,0) 4g (0,y,0;0,my,0) (0,-y,0;0,-my,0) 4f (x,1/2,0;mx,0,0) (-x,1/2,0;-mx,0,0) 4e (x,0,0;mx,0,0) (-x,0,0;-mx,0,0) 2d (1/2,0,1/2;0,0,0) 2c (1/2,1/2,0;0,0,0) 2b (0,1/2,1/2;0,0,0) 2a (0,0,0;0,0,0) ---------- UNI: 71.538 Immm.1'_c[Cmmm] BNS: 71.538 I_cmmm OG: 65.10.554 C_Immm OG-BNS transformation: (0,0,0;a,b,2c) Operators (BNS): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (-1|0,0,0) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (1|0,0,1/2)' (2x|0,0,1/2)' (2y|0,0,1/2)' (2z|0,0,1/2)' (-1|0,0,1/2)' (mx|0,0,1/2)' (my|0,0,1/2)' (mz|0,0,1/2)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,1/2)+ 32r (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x,y,z+1/2;-mx,-my,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,z+1/2;mx,my,-mz) (-x,-y,-z+1/2;-mx,-my,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (x,y,-z+1/2;mx,my,-mz) 16q (x,y,1/4;mx,my,0) (x,-y,3/4;mx,-my,0) (-x,y,3/4;-mx,my,0) (-x,-y,1/4;-mx,-my,0) (-x,-y,3/4;mx,my,0) (-x,y,1/4;mx,-my,0) (x,-y,1/4;-mx,my,0) (x,y,3/4;-mx,-my,0) 16p (x,y,0;0,0,mz) (x,-y,0;0,0,-mz) (-x,y,0;0,0,-mz) (-x,-y,0;0,0,mz) (x,y,1/2;0,0,-mz) (x,-y,1/2;0,0,mz) (-x,y,1/2;0,0,mz) (-x,-y,1/2;0,0,-mz) 16o (x,0,z;0,my,0) (x,0,-z;0,-my,0) (-x,0,-z;0,my,0) (-x,0,z;0,-my,0) (x,0,z+1/2;0,-my,0) (x,0,-z+1/2;0,my,0) (-x,0,-z+1/2;0,-my,0) (-x,0,z+1/2;0,my,0) 16n (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (0,y,-z;-mx,0,0) (0,-y,z;-mx,0,0) (0,y,z+1/2;-mx,0,0) (0,-y,-z+1/2;-mx,0,0) (0,y,-z+1/2;mx,0,0) (0,-y,z+1/2;mx,0,0) 16m (1/4,1/4,z;mx,my,0) (1/4,3/4,-z;mx,-my,0) (3/4,1/4,-z;-mx,my,0) (3/4,3/4,z;-mx,-my,0) (3/4,3/4,-z;mx,my,0) (3/4,1/4,z;mx,-my,0) (1/4,3/4,z;-mx,my,0) (1/4,1/4,-z;-mx,-my,0) 8l (0,1/2,z;0,0,0) (0,1/2,-z;0,0,0) (0,1/2,z+1/2;0,0,0) (0,1/2,-z+1/2;0,0,0) 8k (0,0,z;0,0,0) (0,0,-z;0,0,0) (0,0,z+1/2;0,0,0) (0,0,-z+1/2;0,0,0) 8j (0,y,1/4;mx,0,0) (0,-y,3/4;mx,0,0) (0,y,3/4;-mx,0,0) (0,-y,1/4;-mx,0,0) 8i (0,y,0;0,0,0) (0,-y,0;0,0,0) (0,y,1/2;0,0,0) (0,-y,1/2;0,0,0) 8h (x,0,1/4;0,my,0) (x,0,3/4;0,-my,0) (-x,0,3/4;0,my,0) (-x,0,1/4;0,-my,0) 8g (x,0,0;0,0,0) (-x,0,0;0,0,0) (x,0,1/2;0,0,0) (-x,0,1/2;0,0,0) 8f (1/4,1/4,1/4;mx,my,0) (1/4,3/4,3/4;mx,-my,0) (3/4,1/4,3/4;-mx,my,0) (3/4,3/4,1/4;-mx,-my,0) 8e (1/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) (3/4,1/4,0;0,0,0) (3/4,3/4,0;0,0,0) 4d (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 4c (1/2,0,1/4;0,0,0) (1/2,0,3/4;0,0,0) 4b (1/2,0,0;0,0,0) (1/2,0,1/2;0,0,0) 4a (0,0,0;0,0,0) (0,0,1/2;0,0,0) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (-1|0,0,0) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (1|0,0,1)' (2x|0,0,1)' (2y|0,0,1)' (2z|0,0,1)' (-1|0,0,1)' (mx|0,0,1)' (my|0,0,1)' (mz|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ (1/2,1/2,1)+ 32r (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x,y,z+1;-mx,-my,-mz) (x,-y,-z+1;-mx,my,mz) (-x,y,-z+1;mx,-my,mz) (-x,-y,z+1;mx,my,-mz) (-x,-y,-z+1;-mx,-my,-mz) (-x,y,z+1;-mx,my,mz) (x,-y,z+1;mx,-my,mz) (x,y,-z+1;mx,my,-mz) 16q (x,y,1/2;mx,my,0) (x,-y,-1/2;mx,-my,0) (-x,y,-1/2;-mx,my,0) (-x,-y,1/2;-mx,-my,0) (-x,-y,-1/2;mx,my,0) (-x,y,1/2;mx,-my,0) (x,-y,1/2;-mx,my,0) (x,y,-1/2;-mx,-my,0) 16p (x,y,0;0,0,mz) (x,-y,0;0,0,-mz) (-x,y,0;0,0,-mz) (-x,-y,0;0,0,mz) (x,y,1;0,0,-mz) (x,-y,1;0,0,mz) (-x,y,1;0,0,mz) (-x,-y,1;0,0,-mz) 16o (x,0,z;0,my,0) (x,0,-z;0,-my,0) (-x,0,-z;0,my,0) (-x,0,z;0,-my,0) (x,0,z+1;0,-my,0) (x,0,-z+1;0,my,0) (-x,0,-z+1;0,-my,0) (-x,0,z+1;0,my,0) 16n (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (0,y,-z;-mx,0,0) (0,-y,z;-mx,0,0) (0,y,z+1;-mx,0,0) (0,-y,-z+1;-mx,0,0) (0,y,-z+1;mx,0,0) (0,-y,z+1;mx,0,0) 16m (1/4,1/4,z;mx,my,0) (1/4,-1/4,-z;mx,-my,0) (-1/4,1/4,-z;-mx,my,0) (-1/4,-1/4,z;-mx,-my,0) (-1/4,-1/4,-z;mx,my,0) (-1/4,1/4,z;mx,-my,0) (1/4,-1/4,z;-mx,my,0) (1/4,1/4,-z;-mx,-my,0) 8l (0,1/2,z;0,0,0) (0,-1/2,-z;0,0,0) (0,1/2,z+1;0,0,0) (0,-1/2,-z+1;0,0,0) 8k (0,0,z;0,0,0) (0,0,-z;0,0,0) (0,0,z+1;0,0,0) (0,0,-z+1;0,0,0) 8j (0,y,1/2;mx,0,0) (0,-y,-1/2;mx,0,0) (0,y,-1/2;-mx,0,0) (0,-y,1/2;-mx,0,0) 8i (0,y,0;0,0,0) (0,-y,0;0,0,0) (0,y,1;0,0,0) (0,-y,1;0,0,0) 8h (x,0,1/2;0,my,0) (x,0,-1/2;0,-my,0) (-x,0,-1/2;0,my,0) (-x,0,1/2;0,-my,0) 8g (x,0,0;0,0,0) (-x,0,0;0,0,0) (x,0,1;0,0,0) (-x,0,1;0,0,0) 8f (1/4,1/4,1/2;mx,my,0) (1/4,-1/4,-1/2;mx,-my,0) (-1/4,1/4,-1/2;-mx,my,0) (-1/4,-1/4,1/2;-mx,-my,0) 8e (1/4,1/4,0;0,0,0) (1/4,-1/4,0;0,0,0) (-1/4,1/4,0;0,0,0) (-1/4,-1/4,0;0,0,0) 4d (0,0,1/2;0,0,0) (0,0,-1/2;0,0,0) 4c (1/2,0,1/2;0,0,0) (1/2,0,-1/2;0,0,0) 4b (1/2,0,0;0,0,0) (1/2,0,1;0,0,0) 4a (0,0,0;0,0,0) (0,0,1;0,0,0) ---------- UNI: 72.539 Ibam.1 BNS: 72.539 Ibam OG: 72.1.630 Ibam Operators: (1|0,0,0) (2x|0,0,1/2) (2y|0,0,1/2) (2z|0,0,0) (-1|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (mz|0,0,0) Wyckoff positions: (0,0,0)+ (1/2,1/2,1/2)+ 16k (x,y,z;mx,my,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,-z;-mx,-my,mz) 8j (x,y,0;0,0,mz) (x,-y,1/2;0,0,-mz) (-x,y,1/2;0,0,-mz) (-x,-y,0;0,0,mz) 8i (0,1/2,z;0,0,mz) (0,1/2,-z+1/2;0,0,-mz) (0,1/2,-z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) 8h (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (0,0,z+1/2;0,0,-mz) 8g (0,y,1/4;0,my,0) (0,-y,1/4;0,-my,0) (0,-y,3/4;0,my,0) (0,y,3/4;0,-my,0) 8f (x,0,1/4;mx,0,0) (-x,0,1/4;-mx,0,0) (-x,0,3/4;mx,0,0) (x,0,3/4;-mx,0,0) 8e (1/4,1/4,1/4;mx,my,mz) (1/4,3/4,1/4;mx,-my,-mz) (3/4,1/4,1/4;-mx,my,-mz) (3/4,3/4,1/4;-mx,-my,mz) 4d (1/2,0,0;0,0,mz) (1/2,0,1/2;0,0,-mz) 4c (0,0,0;0,0,mz) (0,0,1/2;0,0,-mz) 4b (1/2,0,1/4;0,0,0) (1/2,0,3/4;0,0,0) 4a (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) ---------- UNI: 72.540 Ibam.1' BNS: 72.540 Ibam1' OG: 72.2.631 Ibam1' Operators: (1|0,0,0) (2x|0,0,1/2) (2y|0,0,1/2) (2z|0,0,0) (-1|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (mz|0,0,0) (1|0,0,0)' (2x|0,0,1/2)' (2y|0,0,1/2)' (2z|0,0,0)' (-1|0,0,0)' (mx|0,0,1/2)' (my|0,0,1/2)' (mz|0,0,0)' Wyckoff positions: (0,0,0)+ (1/2,1/2,1/2)+ 16k (x,y,z;0,0,0) (x,-y,-z+1/2;0,0,0) (-x,y,-z+1/2;0,0,0) (-x,-y,z;0,0,0) (-x,-y,-z;0,0,0) (-x,y,z+1/2;0,0,0) (x,-y,z+1/2;0,0,0) (x,y,-z;0,0,0) 8j (x,y,0;0,0,0) (x,-y,1/2;0,0,0) (-x,y,1/2;0,0,0) (-x,-y,0;0,0,0) 8i (0,1/2,z;0,0,0) (0,1/2,-z+1/2;0,0,0) (0,1/2,-z;0,0,0) (0,1/2,z+1/2;0,0,0) 8h (0,0,z;0,0,0) (0,0,-z+1/2;0,0,0) (0,0,-z;0,0,0) (0,0,z+1/2;0,0,0) 8g (0,y,1/4;0,0,0) (0,-y,1/4;0,0,0) (0,-y,3/4;0,0,0) (0,y,3/4;0,0,0) 8f (x,0,1/4;0,0,0) (-x,0,1/4;0,0,0) (-x,0,3/4;0,0,0) (x,0,3/4;0,0,0) 8e (1/4,1/4,1/4;0,0,0) (1/4,3/4,1/4;0,0,0) (3/4,1/4,1/4;0,0,0) (3/4,3/4,1/4;0,0,0) 4d (1/2,0,0;0,0,0) (1/2,0,1/2;0,0,0) 4c (0,0,0;0,0,0) (0,0,1/2;0,0,0) 4b (1/2,0,1/4;0,0,0) (1/2,0,3/4;0,0,0) 4a (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) ---------- UNI: 72.541 Ib'am BNS: 72.541 Ib'am OG: 72.3.632 Ib'am Operators: (1|0,0,0) (2x|0,0,1/2) (2y|0,0,1/2)' (2z|0,0,0)' (-1|0,0,0)' (mx|0,0,1/2)' (my|0,0,1/2) (mz|0,0,0) Wyckoff positions: (0,0,0)+ (1/2,1/2,1/2)+ 16k (x,y,z;mx,my,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,-z;-mx,-my,mz) 8j (x,y,0;0,0,mz) (x,-y,1/2;0,0,-mz) (-x,y,1/2;0,0,mz) (-x,-y,0;0,0,-mz) 8i (0,1/2,z;mx,my,0) (0,1/2,-z+1/2;mx,-my,0) (0,1/2,-z;-mx,-my,0) (0,1/2,z+1/2;-mx,my,0) 8h (0,0,z;mx,my,0) (0,0,-z+1/2;mx,-my,0) (0,0,-z;-mx,-my,0) (0,0,z+1/2;-mx,my,0) 8g (0,y,1/4;mx,0,mz) (0,-y,1/4;mx,0,-mz) (0,-y,3/4;-mx,0,-mz) (0,y,3/4;-mx,0,mz) 8f (x,0,1/4;mx,0,0) (-x,0,1/4;mx,0,0) (-x,0,3/4;-mx,0,0) (x,0,3/4;-mx,0,0) 8e (1/4,1/4,1/4;0,0,0) (1/4,3/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) (1/4,1/4,3/4;0,0,0) 4d (1/2,0,0;0,0,0) (1/2,0,1/2;0,0,0) 4c (0,0,0;0,0,0) (0,0,1/2;0,0,0) 4b (1/2,0,1/4;mx,0,0) (1/2,0,3/4;-mx,0,0) 4a (0,0,1/4;mx,0,0) (0,0,3/4;-mx,0,0) ---------- UNI: 72.542 Ibam' BNS: 72.542 Ibam' OG: 72.4.633 Ibam' Operators: (1|0,0,0) (2x|0,0,1/2)' (2y|0,0,1/2)' (2z|0,0,0) (-1|0,0,0)' (mx|0,0,1/2) (my|0,0,1/2) (mz|0,0,0)' Wyckoff positions: (0,0,0)+ (1/2,1/2,1/2)+ 16k (x,y,z;mx,my,mz) (x,-y,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,-z;mx,my,-mz) 8j (x,y,0;mx,my,0) (x,-y,1/2;-mx,my,0) (-x,y,1/2;mx,-my,0) (-x,-y,0;-mx,-my,0) 8i (0,1/2,z;0,0,mz) (0,1/2,-z+1/2;0,0,mz) (0,1/2,-z;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) 8h (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,mz) (0,0,-z;0,0,-mz) (0,0,z+1/2;0,0,-mz) 8g (0,y,1/4;mx,0,mz) (0,-y,1/4;-mx,0,mz) (0,-y,3/4;-mx,0,-mz) (0,y,3/4;mx,0,-mz) 8f (x,0,1/4;0,my,mz) (-x,0,1/4;0,-my,mz) (-x,0,3/4;0,-my,-mz) (x,0,3/4;0,my,-mz) 8e (1/4,1/4,1/4;0,0,0) (3/4,1/4,3/4;0,0,0) (1/4,3/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) 4d (1/2,0,0;0,0,0) (1/2,0,1/2;0,0,0) 4c (0,0,0;0,0,0) (0,0,1/2;0,0,0) 4b (1/2,0,1/4;0,0,mz) (1/2,0,3/4;0,0,-mz) 4a (0,0,1/4;0,0,mz) (0,0,3/4;0,0,-mz) ---------- UNI: 72.543 Ib'a'm BNS: 72.543 Ib'a'm OG: 72.5.634 Ib'a'm Operators: (1|0,0,0) (2x|0,0,1/2)' (2y|0,0,1/2)' (2z|0,0,0) (-1|0,0,0) (mx|0,0,1/2)' (my|0,0,1/2)' (mz|0,0,0) Wyckoff positions: (0,0,0)+ (1/2,1/2,1/2)+ 16k (x,y,z;mx,my,mz) (x,-y,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (x,y,-z;-mx,-my,mz) 8j (x,y,0;0,0,mz) (x,-y,1/2;0,0,mz) (-x,y,1/2;0,0,mz) (-x,-y,0;0,0,mz) 8i (0,1/2,z;0,0,mz) (0,1/2,-z+1/2;0,0,mz) (0,1/2,-z;0,0,mz) (0,1/2,z+1/2;0,0,mz) 8h (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,mz) (0,0,-z;0,0,mz) (0,0,z+1/2;0,0,mz) 8g (0,y,1/4;mx,0,mz) (0,-y,1/4;-mx,0,mz) (0,-y,3/4;mx,0,mz) (0,y,3/4;-mx,0,mz) 8f (x,0,1/4;0,my,mz) (-x,0,1/4;0,-my,mz) (-x,0,3/4;0,my,mz) (x,0,3/4;0,-my,mz) 8e (1/4,1/4,1/4;mx,my,mz) (1/4,3/4,1/4;-mx,my,mz) (3/4,1/4,1/4;mx,-my,mz) (3/4,3/4,1/4;-mx,-my,mz) 4d (1/2,0,0;0,0,mz) (1/2,0,1/2;0,0,mz) 4c (0,0,0;0,0,mz) (0,0,1/2;0,0,mz) 4b (1/2,0,1/4;0,0,mz) (1/2,0,3/4;0,0,mz) 4a (0,0,1/4;0,0,mz) (0,0,3/4;0,0,mz) ---------- UNI: 72.544 Iba'm' BNS: 72.544 Iba'm' OG: 72.6.635 Iba'm' Operators: (1|0,0,0) (2x|0,0,1/2) (2y|0,0,1/2)' (2z|0,0,0)' (-1|0,0,0) (mx|0,0,1/2) (my|0,0,1/2)' (mz|0,0,0)' Wyckoff positions: (0,0,0)+ (1/2,1/2,1/2)+ 16k (x,y,z;mx,my,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,z;mx,my,-mz) (-x,-y,-z;mx,my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;mx,-my,mz) (x,y,-z;mx,my,-mz) 8j (x,y,0;mx,my,0) (x,-y,1/2;mx,-my,0) (-x,y,1/2;mx,-my,0) (-x,-y,0;mx,my,0) 8i (0,1/2,z;mx,my,0) (0,1/2,-z+1/2;mx,-my,0) (0,1/2,-z;mx,my,0) (0,1/2,z+1/2;mx,-my,0) 8h (0,0,z;mx,my,0) (0,0,-z+1/2;mx,-my,0) (0,0,-z;mx,my,0) (0,0,z+1/2;mx,-my,0) 8g (0,y,1/4;mx,0,mz) (0,-y,1/4;mx,0,-mz) (0,-y,3/4;mx,0,mz) (0,y,3/4;mx,0,-mz) 8f (x,0,1/4;mx,0,0) (-x,0,1/4;mx,0,0) (-x,0,3/4;mx,0,0) (x,0,3/4;mx,0,0) 8e (1/4,1/4,1/4;mx,my,mz) (1/4,3/4,1/4;mx,-my,-mz) (3/4,1/4,1/4;mx,-my,mz) (3/4,3/4,1/4;mx,my,-mz) 4d (1/2,0,0;mx,my,0) (1/2,0,1/2;mx,-my,0) 4c (0,0,0;mx,my,0) (0,0,1/2;mx,-my,0) 4b (1/2,0,1/4;mx,0,0) (1/2,0,3/4;mx,0,0) 4a (0,0,1/4;mx,0,0) (0,0,3/4;mx,0,0) ---------- UNI: 72.545 Ib'a'm' BNS: 72.545 Ib'a'm' OG: 72.7.636 Ib'a'm' Operators: (1|0,0,0) (2x|0,0,1/2) (2y|0,0,1/2) (2z|0,0,0) (-1|0,0,0)' (mx|0,0,1/2)' (my|0,0,1/2)' (mz|0,0,0)' Wyckoff positions: (0,0,0)+ (1/2,1/2,1/2)+ 16k (x,y,z;mx,my,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (x,y,-z;mx,my,-mz) 8j (x,y,0;mx,my,0) (x,-y,1/2;mx,-my,0) (-x,y,1/2;-mx,my,0) (-x,-y,0;-mx,-my,0) 8i (0,1/2,z;0,0,mz) (0,1/2,-z+1/2;0,0,-mz) (0,1/2,-z;0,0,-mz) (0,1/2,z+1/2;0,0,mz) 8h (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (0,0,-z;0,0,-mz) (0,0,z+1/2;0,0,mz) 8g (0,y,1/4;0,my,0) (0,-y,1/4;0,-my,0) (0,-y,3/4;0,-my,0) (0,y,3/4;0,my,0) 8f (x,0,1/4;mx,0,0) (-x,0,1/4;-mx,0,0) (-x,0,3/4;-mx,0,0) (x,0,3/4;mx,0,0) 8e (1/4,1/4,1/4;0,0,0) (1/4,3/4,1/4;0,0,0) (3/4,1/4,1/4;0,0,0) (3/4,3/4,1/4;0,0,0) 4d (1/2,0,0;0,0,0) (1/2,0,1/2;0,0,0) 4c (0,0,0;0,0,0) (0,0,1/2;0,0,0) 4b (1/2,0,1/4;0,0,0) (1/2,0,3/4;0,0,0) 4a (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) ---------- UNI: 72.546 Ibam.1'_c[Cmmm] BNS: 72.546 I_cbam OG: 65.19.563 C_Im'm'm OG-BNS transformation: (0,0,0;a,b,2c) Operators (BNS): (1|0,0,0) (2x|0,0,1/2) (2y|0,0,1/2) (2z|0,0,0) (-1|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (mz|0,0,0) (1|0,0,1/2)' (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,1/2)' (-1|0,0,1/2)' (mx|0,0,0)' (my|0,0,0)' (mz|0,0,1/2)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,1/2)+ 32r (x,y,z;mx,my,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x,y,z+1/2;-mx,-my,-mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z+1/2;mx,my,-mz) (-x,-y,-z+1/2;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x,y,-z+1/2;mx,my,-mz) 16q (x,y,1/4;mx,my,0) (x,-y,1/4;mx,-my,0) (-x,y,1/4;-mx,my,0) (-x,-y,1/4;-mx,-my,0) (-x,-y,3/4;mx,my,0) (-x,y,3/4;mx,-my,0) (x,-y,3/4;-mx,my,0) (x,y,3/4;-mx,-my,0) 16p (x,y,0;0,0,mz) (x,-y,1/2;0,0,-mz) (-x,y,1/2;0,0,-mz) (-x,-y,0;0,0,mz) (x,y,1/2;0,0,-mz) (x,-y,0;0,0,mz) (-x,y,0;0,0,mz) (-x,-y,1/2;0,0,-mz) 16o (x,0,z;mx,0,mz) (x,0,-z+1/2;mx,0,-mz) (-x,0,-z+1/2;-mx,0,-mz) (-x,0,z;-mx,0,mz) (-x,0,-z;mx,0,mz) (-x,0,z+1/2;mx,0,-mz) (x,0,z+1/2;-mx,0,-mz) (x,0,-z;-mx,0,mz) 16n (0,y,z;0,my,mz) (0,-y,-z+1/2;0,-my,-mz) (0,y,-z+1/2;0,my,-mz) (0,-y,z;0,-my,mz) (0,-y,-z;0,my,mz) (0,y,z+1/2;0,-my,-mz) (0,-y,z+1/2;0,my,-mz) (0,y,-z;0,-my,mz) 16m (1/4,1/4,z;mx,my,0) (1/4,3/4,-z+1/2;mx,-my,0) (3/4,1/4,-z+1/2;-mx,my,0) (3/4,3/4,z;-mx,-my,0) (3/4,3/4,-z;mx,my,0) (3/4,1/4,z+1/2;mx,-my,0) (1/4,3/4,z+1/2;-mx,my,0) (1/4,1/4,-z;-mx,-my,0) 8l (0,1/2,z;0,0,mz) (0,1/2,-z+1/2;0,0,-mz) (0,1/2,-z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) 8k (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (0,0,z+1/2;0,0,-mz) 8j (0,y,1/4;0,my,0) (0,-y,1/4;0,-my,0) (0,-y,3/4;0,my,0) (0,y,3/4;0,-my,0) 8i (0,y,0;0,0,mz) (0,-y,1/2;0,0,-mz) (0,y,1/2;0,0,-mz) (0,-y,0;0,0,mz) 8h (x,0,1/4;mx,0,0) (-x,0,1/4;-mx,0,0) (-x,0,3/4;mx,0,0) (x,0,3/4;-mx,0,0) 8g (x,0,0;0,0,mz) (x,0,1/2;0,0,-mz) (-x,0,1/2;0,0,-mz) (-x,0,0;0,0,mz) 8f (1/4,1/4,1/4;mx,my,0) (1/4,3/4,1/4;mx,-my,0) (3/4,1/4,1/4;-mx,my,0) (3/4,3/4,1/4;-mx,-my,0) 8e (1/4,1/4,0;0,0,0) (1/4,3/4,1/2;0,0,0) (3/4,1/4,1/2;0,0,0) (3/4,3/4,0;0,0,0) 4d (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 4c (1/2,0,1/4;0,0,0) (1/2,0,3/4;0,0,0) 4b (1/2,0,0;0,0,mz) (1/2,0,1/2;0,0,-mz) 4a (0,0,0;0,0,mz) (0,0,1/2;0,0,-mz) Operators (OG): (1|0,0,0) (2x|0,0,1) (2y|0,0,1) (2z|0,0,0) (-1|0,0,0) (mx|0,0,1) (my|0,0,1) (mz|0,0,0) (1|0,0,1)' (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,1)' (-1|0,0,1)' (mx|0,0,0)' (my|0,0,0)' (mz|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ (1/2,1/2,1)+ 32r (x,y,z;mx,my,mz) (x,-y,-z+1;mx,-my,-mz) (-x,y,-z+1;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z+1;mx,-my,-mz) (x,-y,z+1;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x,y,z+1;-mx,-my,-mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z+1;mx,my,-mz) (-x,-y,-z+1;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x,y,-z+1;mx,my,-mz) 16q (x,y,1/2;mx,my,0) (x,-y,1/2;mx,-my,0) (-x,y,1/2;-mx,my,0) (-x,-y,1/2;-mx,-my,0) (-x,-y,-1/2;mx,my,0) (-x,y,3/2;mx,-my,0) (x,-y,3/2;-mx,my,0) (x,y,-1/2;-mx,-my,0) 16p (x,y,0;0,0,mz) (x,-y,1;0,0,-mz) (-x,y,1;0,0,-mz) (-x,-y,0;0,0,mz) (x,y,1;0,0,-mz) (x,-y,0;0,0,mz) (-x,y,0;0,0,mz) (-x,-y,1;0,0,-mz) 16o (x,0,z;mx,0,mz) (x,0,-z+1;mx,0,-mz) (-x,0,-z+1;-mx,0,-mz) (-x,0,z;-mx,0,mz) (-x,0,-z;mx,0,mz) (-x,0,z+1;mx,0,-mz) (x,0,z+1;-mx,0,-mz) (x,0,-z;-mx,0,mz) 16n (0,y,z;0,my,mz) (0,-y,-z+1;0,-my,-mz) (0,y,-z+1;0,my,-mz) (0,-y,z;0,-my,mz) (0,-y,-z;0,my,mz) (0,y,z+1;0,-my,-mz) (0,-y,z+1;0,my,-mz) (0,y,-z;0,-my,mz) 16m (1/4,1/4,z;mx,my,0) (1/4,-1/4,-z+1;mx,-my,0) (-1/4,1/4,-z+1;-mx,my,0) (-1/4,-1/4,z;-mx,-my,0) (-1/4,-1/4,-z;mx,my,0) (-1/4,1/4,z+1;mx,-my,0) (1/4,-1/4,z+1;-mx,my,0) (1/4,1/4,-z;-mx,-my,0) 8l (0,1/2,z;0,0,mz) (0,-1/2,-z+1;0,0,-mz) (0,-1/2,-z;0,0,mz) (0,1/2,z+1;0,0,-mz) 8k (0,0,z;0,0,mz) (0,0,-z+1;0,0,-mz) (0,0,-z;0,0,mz) (0,0,z+1;0,0,-mz) 8j (0,y,1/2;0,my,0) (0,-y,1/2;0,-my,0) (0,-y,-1/2;0,my,0) (0,y,3/2;0,-my,0) 8i (0,y,0;0,0,mz) (0,-y,1;0,0,-mz) (0,y,1;0,0,-mz) (0,-y,0;0,0,mz) 8h (x,0,1/2;mx,0,0) (-x,0,1/2;-mx,0,0) (-x,0,-1/2;mx,0,0) (x,0,3/2;-mx,0,0) 8g (x,0,0;0,0,mz) (x,0,1;0,0,-mz) (-x,0,1;0,0,-mz) (-x,0,0;0,0,mz) 8f (1/4,1/4,1/2;mx,my,0) (1/4,-1/4,1/2;mx,-my,0) (-1/4,1/4,1/2;-mx,my,0) (-1/4,-1/4,1/2;-mx,-my,0) 8e (1/4,1/4,0;0,0,0) (1/4,-1/4,1;0,0,0) (-1/4,1/4,1;0,0,0) (-1/4,-1/4,0;0,0,0) 4d (0,0,1/2;0,0,0) (0,0,-1/2;0,0,0) 4c (1/2,0,1/2;0,0,0) (-1/2,0,-1/2;0,0,0) 4b (1/2,0,0;0,0,mz) (1/2,0,1;0,0,-mz) 4a (0,0,0;0,0,mz) (0,0,1;0,0,-mz) ---------- UNI: 72.547 Ibam.1'_b[Bmcm] BNS: 72.547 I_bbam OG: 67.10.586 C_Imma OG-BNS transformation: (0,0,0;b,2c,a) Operators (BNS): (1|0,0,0) (2x|0,0,1/2) (2y|0,0,1/2) (2z|0,0,0) (-1|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (mz|0,0,0) (1|0,1/2,0)' (2x|1/2,0,0)' (2y|1/2,0,0)' (2z|0,1/2,0)' (-1|0,1/2,0)' (mx|1/2,0,0)' (my|1/2,0,0)' (mz|0,1/2,0)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,1/2)+ 32o (x,y,z;mx,my,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x,y+1/2,z;-mx,-my,-mz) (x+1/2,-y,-z;-mx,my,mz) (-x+1/2,y,-z;mx,-my,mz) (-x,-y+1/2,z;mx,my,-mz) (-x,-y+1/2,-z;-mx,-my,-mz) (-x+1/2,y,z;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) (x,y+1/2,-z;mx,my,-mz) 16n (1/4,y,z;0,my,mz) (1/4,-y,-z+1/2;0,-my,-mz) (3/4,y,-z+1/2;0,my,-mz) (3/4,-y,z;0,-my,mz) (3/4,-y,-z;0,my,mz) (3/4,y,z+1/2;0,-my,-mz) (1/4,-y,z+1/2;0,my,-mz) (1/4,y,-z;0,-my,mz) 16m (x,y,0;0,0,mz) (x,-y,1/2;0,0,-mz) (-x,y,1/2;0,0,-mz) (-x,-y,0;0,0,mz) (x,y+1/2,0;0,0,-mz) (x+1/2,-y,0;0,0,mz) (-x+1/2,y,0;0,0,mz) (-x,-y+1/2,0;0,0,-mz) 16l (0,y,1/4;0,my,0) (0,-y,1/4;0,-my,0) (0,-y,3/4;0,my,0) (0,y,3/4;0,-my,0) (0,y+1/2,1/4;0,-my,0) (1/2,-y,3/4;0,my,0) (0,-y+1/2,3/4;0,-my,0) (1/2,y,1/4;0,my,0) 16k (x,1/4,1/4;0,my,mz) (x,3/4,1/4;0,-my,-mz) (-x,1/4,1/4;0,my,-mz) (-x,3/4,1/4;0,-my,mz) (-x,3/4,3/4;0,my,mz) (-x,1/4,3/4;0,-my,-mz) (x,3/4,3/4;0,my,-mz) (x,1/4,3/4;0,-my,mz) 16j (x,0,1/4;mx,0,0) (-x,0,1/4;-mx,0,0) (-x,0,3/4;mx,0,0) (x,0,3/4;-mx,0,0) (x,1/2,1/4;-mx,0,0) (-x+1/2,0,3/4;mx,0,0) (-x,1/2,3/4;-mx,0,0) (x+1/2,0,1/4;mx,0,0) 16i (0,1/4,z;mx,my,0) (0,3/4,-z+1/2;mx,-my,0) (0,1/4,-z+1/2;-mx,my,0) (0,3/4,z;-mx,-my,0) (0,3/4,-z;mx,my,0) (0,1/4,z+1/2;mx,-my,0) (0,3/4,z+1/2;-mx,my,0) (0,1/4,-z;-mx,-my,0) 16h (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (0,0,z+1/2;0,0,-mz) (0,1/2,z;0,0,-mz) (1/2,0,-z;0,0,mz) (0,1/2,-z;0,0,-mz) (1/2,0,z;0,0,mz) 8g (1/4,y,0;0,0,mz) (1/4,-y,1/2;0,0,-mz) (3/4,y,1/2;0,0,-mz) (3/4,-y,0;0,0,mz) 8f (1/4,1/4,1/4;0,my,mz) (1/4,3/4,1/4;0,-my,-mz) (3/4,1/4,1/4;0,my,-mz) (3/4,3/4,1/4;0,-my,mz) 8e (1/4,0,1/4;0,0,0) (3/4,0,1/4;0,0,0) (3/4,0,3/4;0,0,0) (1/4,0,3/4;0,0,0) 8d (0,1/4,0;0,0,0) (0,3/4,1/2;0,0,0) (0,1/4,1/2;0,0,0) (0,3/4,0;0,0,0) 8c (0,0,0;0,0,mz) (0,0,1/2;0,0,-mz) (0,1/2,0;0,0,-mz) (1/2,0,0;0,0,mz) 8b (0,1/4,1/4;0,my,0) (0,3/4,1/4;0,-my,0) (0,3/4,3/4;0,my,0) (0,1/4,3/4;0,-my,0) 8a (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) (0,1/2,1/4;0,0,0) (0,1/2,3/4;0,0,0) Operators (OG): (1|0,0,0) (2y|1/2,0,0) (2z|1/2,0,0) (2x|0,0,0) (-1|0,0,0) (my|1/2,0,0) (mz|1/2,0,0) (mx|0,0,0) (1|0,0,1)' (2y|1/2,0,1)' (2z|1/2,0,1)' (2x|0,0,1)' (-1|0,0,1)' (my|1/2,0,1)' (mz|1/2,0,1)' (mx|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (0,1,0)+ (0,0,2)+ (1,0,0)+ (1/2,1/2,1)+ 32o (x,y,z;mx,my,mz) (-x+1/2,y,-z;-mx,my,-mz) (-x+1/2,-y,z;-mx,-my,mz) (x,-y,-z;mx,-my,-mz) (-x,-y,-z;mx,my,mz) (x+1/2,-y,z;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,y,z+1;-mx,-my,-mz) (-x+1/2,y,-z+1;mx,-my,mz) (-x+1/2,-y,z+1;mx,my,-mz) (x,-y,-z+1;-mx,my,mz) (-x,-y,-z+1;-mx,-my,-mz) (x+1/2,-y,z+1;mx,-my,mz) (x+1/2,y,-z+1;mx,my,-mz) (-x,y,z+1;-mx,my,mz) 16n (x,1/4,z;mx,0,mz) (-x+1/2,1/4,-z;-mx,0,-mz) (-x+1/2,-1/4,z;-mx,0,mz) (x,-1/4,-z;mx,0,-mz) (-x,-1/4,-z;mx,0,mz) (x+1/2,-1/4,z;-mx,0,-mz) (x+1/2,1/4,-z;-mx,0,mz) (-x,1/4,z;mx,0,-mz) 16m (0,y,z;mx,0,0) (1/2,y,-z;-mx,0,0) (1/2,-y,z;-mx,0,0) (0,-y,-z;mx,0,0) (0,y,z+1;-mx,0,0) (1/2,y,-z+1;mx,0,0) (1/2,-y,z+1;mx,0,0) (0,-y,-z+1;-mx,0,0) 16l (1/4,0,z;0,0,mz) (1/4,0,-z;0,0,-mz) (-1/4,0,-z;0,0,mz) (3/4,0,z;0,0,-mz) (1/4,0,z+1;0,0,-mz) (1/4,0,-z+1;0,0,mz) (-1/4,0,-z+1;0,0,-mz) (3/4,0,z+1;0,0,mz) 16k (1/4,y,1/2;mx,0,mz) (1/4,y,-1/2;-mx,0,-mz) (1/4,-y,1/2;-mx,0,mz) (1/4,-y,-1/2;mx,0,-mz) (-1/4,-y,-1/2;mx,0,mz) (3/4,-y,1/2;-mx,0,-mz) (3/4,y,-1/2;-mx,0,mz) (-1/4,y,1/2;mx,0,-mz) 16j (1/4,y,0;0,my,0) (1/4,-y,0;0,-my,0) (-1/4,-y,0;0,my,0) (3/4,y,0;0,-my,0) (1/4,y,1;0,-my,0) (1/4,-y,1;0,my,0) (-1/4,-y,1;0,-my,0) (3/4,y,1;0,my,0) 16i (x,0,1/2;0,my,mz) (-x+1/2,0,-1/2;0,my,-mz) (-x+1/2,0,1/2;0,-my,mz) (x,0,-1/2;0,-my,-mz) (-x,0,-1/2;0,my,mz) (x+1/2,0,1/2;0,my,-mz) (x+1/2,0,-1/2;0,-my,mz) (-x,0,1/2;0,-my,-mz) 16h (x,0,0;mx,0,0) (-x+1/2,0,0;-mx,0,0) (-x,0,0;mx,0,0) (x+1/2,0,0;-mx,0,0) (x,0,1;-mx,0,0) (-x+1/2,0,1;mx,0,0) (-x,0,1;-mx,0,0) (x+1/2,0,1;mx,0,0) 8g (0,1/4,z;mx,0,0) (1/2,1/4,-z;-mx,0,0) (1/2,-1/4,z;-mx,0,0) (0,-1/4,-z;mx,0,0) 8f (1/4,1/4,1/2;mx,0,mz) (1/4,1/4,-1/2;-mx,0,-mz) (1/4,-1/4,1/2;-mx,0,mz) (1/4,-1/4,-1/2;mx,0,-mz) 8e (1/4,1/4,0;0,0,0) (1/4,-1/4,0;0,0,0) (-1/4,-1/4,0;0,0,0) (3/4,1/4,0;0,0,0) 8d (0,0,1/2;0,0,0) (1/2,0,-1/2;0,0,0) (1/2,0,1/2;0,0,0) (0,0,-1/2;0,0,0) 8c (0,0,0;mx,0,0) (1/2,0,0;-mx,0,0) (0,0,1;-mx,0,0) (1/2,0,1;mx,0,0) 8b (1/4,0,1/2;0,0,mz) (1/4,0,-1/2;0,0,-mz) (-1/4,0,-1/2;0,0,mz) (3/4,0,1/2;0,0,-mz) 8a (1/4,0,0;0,0,0) (-1/4,0,0;0,0,0) (1/4,0,1;0,0,0) (-1/4,0,1;0,0,0) ---------- UNI: 73.548 Ibca.1 BNS: 73.548 Ibca OG: 73.1.643 Ibca Operators: (1|0,0,0) (2x|0,0,1/2) (2y|1/2,0,0) (2z|0,1/2,0) (-1|0,0,0) (mx|0,0,1/2) (my|1/2,0,0) (mz|0,1/2,0) Wyckoff positions: (0,0,0)+ (1/2,1/2,1/2)+ 16f (x,y,z;mx,my,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x+1/2,y,-z;-mx,my,-mz) (-x,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z+1/2;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x,y+1/2,-z;-mx,-my,mz) 8e (0,1/4,z;0,0,mz) (0,3/4,-z+1/2;0,0,-mz) (0,3/4,-z;0,0,mz) (0,1/4,z+1/2;0,0,-mz) 8d (1/4,y,0;0,my,0) (1/4,-y,1/2;0,-my,0) (3/4,-y,0;0,my,0) (3/4,y,1/2;0,-my,0) 8c (x,0,1/4;mx,0,0) (-x+1/2,0,3/4;-mx,0,0) (-x,0,3/4;mx,0,0) (x+1/2,0,1/4;-mx,0,0) 8b (1/4,1/4,1/4;mx,my,mz) (1/4,3/4,1/4;mx,-my,-mz) (1/4,1/4,3/4;-mx,my,-mz) (3/4,1/4,1/4;-mx,-my,mz) 8a (0,0,0;mx,my,mz) (0,0,1/2;mx,-my,-mz) (1/2,0,0;-mx,my,-mz) (0,1/2,0;-mx,-my,mz) ---------- UNI: 73.549 Ibca.1' BNS: 73.549 Ibca1' OG: 73.2.644 Ibca1' Operators: (1|0,0,0) (2x|0,0,1/2) (2y|1/2,0,0) (2z|0,1/2,0) (-1|0,0,0) (mx|0,0,1/2) (my|1/2,0,0) (mz|0,1/2,0) (1|0,0,0)' (2x|0,0,1/2)' (2y|1/2,0,0)' (2z|0,1/2,0)' (-1|0,0,0)' (mx|0,0,1/2)' (my|1/2,0,0)' (mz|0,1/2,0)' Wyckoff positions: (0,0,0)+ (1/2,1/2,1/2)+ 16f (x,y,z;0,0,0) (x,-y,-z+1/2;0,0,0) (-x+1/2,y,-z;0,0,0) (-x,-y+1/2,z;0,0,0) (-x,-y,-z;0,0,0) (-x,y,z+1/2;0,0,0) (x+1/2,-y,z;0,0,0) (x,y+1/2,-z;0,0,0) 8e (0,1/4,z;0,0,0) (0,3/4,-z+1/2;0,0,0) (0,3/4,-z;0,0,0) (0,1/4,z+1/2;0,0,0) 8d (1/4,y,0;0,0,0) (1/4,-y,1/2;0,0,0) (3/4,-y,0;0,0,0) (3/4,y,1/2;0,0,0) 8c (x,0,1/4;0,0,0) (-x+1/2,0,3/4;0,0,0) (-x,0,3/4;0,0,0) (x+1/2,0,1/4;0,0,0) 8b (1/4,1/4,1/4;0,0,0) (1/4,3/4,1/4;0,0,0) (1/4,1/4,3/4;0,0,0) (3/4,1/4,1/4;0,0,0) 8a (0,0,0;0,0,0) (0,0,1/2;0,0,0) (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) ---------- UNI: 73.550 Ib'ca BNS: 73.550 Ib'ca OG: 73.3.645 Ib'ca Operators: (1|0,0,0) (2x|0,0,1/2) (2y|1/2,0,0)' (2z|0,1/2,0)' (-1|0,0,0)' (mx|0,0,1/2)' (my|1/2,0,0) (mz|0,1/2,0) Wyckoff positions: (0,0,0)+ (1/2,1/2,1/2)+ 16f (x,y,z;mx,my,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x+1/2,y,-z;mx,-my,mz) (-x,-y+1/2,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z+1/2;-mx,my,mz) (x+1/2,-y,z;-mx,my,-mz) (x,y+1/2,-z;-mx,-my,mz) 8e (0,1/4,z;mx,my,0) (0,3/4,-z+1/2;mx,-my,0) (0,3/4,-z;-mx,-my,0) (1/2,3/4,z;-mx,my,0) 8d (1/4,y,0;mx,0,mz) (1/4,-y,1/2;mx,0,-mz) (3/4,-y,0;-mx,0,-mz) (1/4,y+1/2,0;-mx,0,mz) 8c (x,0,1/4;mx,0,0) (-x+1/2,0,3/4;mx,0,0) (-x,0,3/4;-mx,0,0) (x+1/2,0,1/4;-mx,0,0) 8b (1/4,1/4,1/4;0,0,0) (1/4,3/4,1/4;0,0,0) (3/4,3/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) 8a (0,0,0;0,0,0) (0,0,1/2;0,0,0) (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) ---------- UNI: 73.551 Ib'c'a BNS: 73.551 Ib'c'a OG: 73.4.646 Ib'c'a Operators: (1|0,0,0) (2x|0,0,1/2)' (2y|1/2,0,0)' (2z|0,1/2,0) (-1|0,0,0) (mx|0,0,1/2)' (my|1/2,0,0)' (mz|0,1/2,0) Wyckoff positions: (0,0,0)+ (1/2,1/2,1/2)+ 16f (x,y,z;mx,my,mz) (x,-y,-z+1/2;-mx,my,mz) (-x+1/2,y,-z;mx,-my,mz) (-x,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z+1/2;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) (x,y+1/2,-z;-mx,-my,mz) 8e (0,1/4,z;0,0,mz) (0,3/4,-z+1/2;0,0,mz) (0,3/4,-z;0,0,mz) (0,1/4,z+1/2;0,0,mz) 8d (1/4,y,0;mx,0,mz) (3/4,-y+1/2,0;-mx,0,mz) (3/4,-y,0;mx,0,mz) (1/4,y+1/2,0;-mx,0,mz) 8c (x,0,1/4;0,my,mz) (-x,1/2,1/4;0,-my,mz) (-x,0,3/4;0,my,mz) (x,1/2,3/4;0,-my,mz) 8b (1/4,1/4,1/4;mx,my,mz) (1/4,3/4,1/4;-mx,my,mz) (1/4,1/4,3/4;mx,-my,mz) (3/4,1/4,1/4;-mx,-my,mz) 8a (0,0,0;mx,my,mz) (0,0,1/2;-mx,my,mz) (1/2,0,0;mx,-my,mz) (0,1/2,0;-mx,-my,mz) ---------- UNI: 73.552 Ib'c'a' BNS: 73.552 Ib'c'a' OG: 73.5.647 Ib'c'a' Operators: (1|0,0,0) (2x|0,0,1/2) (2y|1/2,0,0) (2z|0,1/2,0) (-1|0,0,0)' (mx|0,0,1/2)' (my|1/2,0,0)' (mz|0,1/2,0)' Wyckoff positions: (0,0,0)+ (1/2,1/2,1/2)+ 16f (x,y,z;mx,my,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x+1/2,y,-z;-mx,my,-mz) (-x,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z+1/2;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) (x,y+1/2,-z;mx,my,-mz) 8e (0,1/4,z;0,0,mz) (0,3/4,-z+1/2;0,0,-mz) (0,3/4,-z;0,0,-mz) (0,1/4,z+1/2;0,0,mz) 8d (1/4,y,0;0,my,0) (1/4,-y,1/2;0,-my,0) (3/4,-y,0;0,-my,0) (3/4,y,1/2;0,my,0) 8c (x,0,1/4;mx,0,0) (-x+1/2,0,3/4;-mx,0,0) (-x,0,3/4;-mx,0,0) (x+1/2,0,1/4;mx,0,0) 8b (1/4,1/4,1/4;0,0,0) (1/4,3/4,1/4;0,0,0) (1/4,1/4,3/4;0,0,0) (3/4,1/4,1/4;0,0,0) 8a (0,0,0;0,0,0) (0,0,1/2;0,0,0) (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) ---------- UNI: 73.553 Ibca.1'_c[Cmma] BNS: 73.553 I_cbca OG: 67.17.593 C_Im'ma' OG-BNS transformation: (0,0,0;a,b,2c) Operators (BNS): (1|0,0,0) (2x|0,0,1/2) (2y|1/2,0,0) (2z|0,1/2,0) (-1|0,0,0) (mx|0,0,1/2) (my|1/2,0,0) (mz|0,1/2,0) (1|0,0,1/2)' (2x|0,0,0)' (2y|0,1/2,0)' (2z|1/2,0,0)' (-1|0,0,1/2)' (mx|0,0,0)' (my|0,1/2,0)' (mz|1/2,0,0)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,1/2)+ 32o (x,y,z;mx,my,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x+1/2,y,-z;-mx,my,-mz) (-x,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z+1/2;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x,y+1/2,-z;-mx,-my,mz) (x,y,z+1/2;-mx,-my,-mz) (x,-y,-z;-mx,my,mz) (-x,y+1/2,-z;mx,-my,mz) (-x+1/2,-y,z;mx,my,-mz) (-x,-y,-z+1/2;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x,-y+1/2,z;mx,-my,mz) (x+1/2,y,-z;mx,my,-mz) 16n (x,1/4,z;mx,0,mz) (x,3/4,-z+1/2;mx,0,-mz) (-x+1/2,1/4,-z;-mx,0,-mz) (-x,1/4,z;-mx,0,mz) (-x,3/4,-z;mx,0,mz) (-x,1/4,z+1/2;mx,0,-mz) (x+1/2,3/4,z;-mx,0,-mz) (x,3/4,-z;-mx,0,mz) 16m (0,y,z;0,my,mz) (0,-y,-z+1/2;0,-my,-mz) (1/2,y,-z;0,my,-mz) (0,-y+1/2,z;0,-my,mz) (0,-y,-z;0,my,mz) (0,y,z+1/2;0,-my,-mz) (1/2,-y,z;0,my,-mz) (0,y+1/2,-z;0,-my,mz) 16l (1/4,0,z;mx,my,0) (1/4,0,-z+1/2;mx,-my,0) (1/4,0,-z;-mx,my,0) (3/4,1/2,z;-mx,-my,0) (3/4,0,-z;mx,my,0) (3/4,0,z+1/2;mx,-my,0) (3/4,0,z;-mx,my,0) (1/4,1/2,-z;-mx,-my,0) 16k (1/4,y,1/4;mx,0,mz) (1/4,-y,1/4;mx,0,-mz) (1/4,y,3/4;-mx,0,-mz) (3/4,-y+1/2,1/4;-mx,0,mz) (3/4,-y,3/4;mx,0,mz) (3/4,y,3/4;mx,0,-mz) (3/4,-y,1/4;-mx,0,-mz) (1/4,y+1/2,3/4;-mx,0,mz) 16j (1/4,y,0;0,my,0) (1/4,-y,1/2;0,-my,0) (3/4,-y,0;0,my,0) (3/4,y,1/2;0,-my,0) (1/4,y,1/2;0,-my,0) (1/4,-y,0;0,my,0) (3/4,-y,1/2;0,-my,0) (3/4,y,0;0,my,0) 16i (x,0,1/4;mx,0,0) (-x+1/2,0,3/4;-mx,0,0) (-x,0,3/4;mx,0,0) (x+1/2,0,1/4;-mx,0,0) (x,0,3/4;-mx,0,0) (-x,1/2,3/4;mx,0,0) (-x,0,1/4;-mx,0,0) (x,1/2,1/4;mx,0,0) 16h (x,0,0;0,my,mz) (x,0,1/2;0,-my,-mz) (-x+1/2,0,0;0,my,-mz) (-x,1/2,0;0,-my,mz) (-x,0,0;0,my,mz) (-x,0,1/2;0,-my,-mz) (x+1/2,0,0;0,my,-mz) (x,1/2,0;0,-my,mz) 8g (0,1/4,z;0,0,mz) (0,3/4,-z+1/2;0,0,-mz) (0,3/4,-z;0,0,mz) (0,1/4,z+1/2;0,0,-mz) 8f (1/4,1/4,1/4;mx,0,mz) (1/4,3/4,1/4;mx,0,-mz) (1/4,1/4,3/4;-mx,0,-mz) (3/4,1/4,1/4;-mx,0,mz) 8e (1/4,1/4,0;0,0,0) (1/4,3/4,1/2;0,0,0) (3/4,3/4,0;0,0,0) (3/4,1/4,1/2;0,0,0) 8d (0,0,1/4;0,0,0) (1/2,0,3/4;0,0,0) (0,0,3/4;0,0,0) (1/2,0,1/4;0,0,0) 8c (0,0,0;0,my,mz) (0,0,1/2;0,-my,-mz) (1/2,0,0;0,my,-mz) (0,1/2,0;0,-my,mz) 8b (1/4,0,1/4;mx,0,0) (1/4,0,3/4;-mx,0,0) (3/4,0,3/4;mx,0,0) (3/4,0,1/4;-mx,0,0) 8a (1/4,0,0;0,my,0) (1/4,0,1/2;0,-my,0) (3/4,0,0;0,my,0) (3/4,0,1/2;0,-my,0) Operators (OG): (1|0,0,0) (2x|0,0,1) (2y|1/2,0,0) (2z|1/2,0,1) (-1|0,0,0) (mx|0,0,1) (my|1/2,0,0) (mz|1/2,0,1) (1|0,0,1)' (2x|0,0,0)' (2y|1/2,0,1)' (2z|1/2,0,0)' (-1|0,0,1)' (mx|0,0,0)' (my|1/2,0,1)' (mz|1/2,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ (1/2,1/2,1)+ 32o (x,y,z;mx,my,mz) (x,-y,-z+1;mx,-my,-mz) (-x+1/2,y,-z;-mx,my,-mz) (-x+1/2,-y,z+1;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z+1;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x+1/2,y,-z+1;-mx,-my,mz) (x,y,z+1;-mx,-my,-mz) (x,-y,-z;-mx,my,mz) (-x+1/2,y,-z+1;mx,-my,mz) (-x+1/2,-y,z;mx,my,-mz) (-x,-y,-z+1;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x+1/2,-y,z+1;mx,-my,mz) (x+1/2,y,-z;mx,my,-mz) 16n (x,1/4,z;mx,0,mz) (x,-1/4,-z+1;mx,0,-mz) (-x+1/2,1/4,-z;-mx,0,-mz) (-x+1/2,-1/4,z+1;-mx,0,mz) (-x,-1/4,-z;mx,0,mz) (-x,1/4,z+1;mx,0,-mz) (x+1/2,-1/4,z;-mx,0,-mz) (x+1/2,1/4,-z+1;-mx,0,mz) 16m (0,y,z;0,my,mz) (0,-y,-z+1;0,-my,-mz) (1/2,y,-z;0,my,-mz) (1/2,-y,z+1;0,-my,mz) (0,-y,-z;0,my,mz) (0,y,z+1;0,-my,-mz) (1/2,-y,z;0,my,-mz) (1/2,y,-z+1;0,-my,mz) 16l (1/4,0,z;mx,my,0) (1/4,0,-z+1;mx,-my,0) (1/4,0,-z;-mx,my,0) (1/4,0,z+1;-mx,-my,0) (-1/4,0,-z;mx,my,0) (-1/4,0,z+1;mx,-my,0) (3/4,0,z;-mx,my,0) (3/4,0,-z+1;-mx,-my,0) 16k (1/4,y,1/2;mx,0,mz) (1/4,-y,1/2;mx,0,-mz) (1/4,y,-1/2;-mx,0,-mz) (1/4,-y,3/2;-mx,0,mz) (-1/4,-y,-1/2;mx,0,mz) (-1/4,y,3/2;mx,0,-mz) (3/4,-y,1/2;-mx,0,-mz) (3/4,y,1/2;-mx,0,mz) 16j (1/4,y,0;0,my,0) (1/4,-y,1;0,-my,0) (-1/4,-y,0;0,my,0) (-1/4,y,1;0,-my,0) (1/4,y,1;0,-my,0) (1/4,-y,0;0,my,0) (-1/4,-y,1;0,-my,0) (-1/4,y,0;0,my,0) 16i (x,0,1/2;mx,0,0) (-x+1/2,0,-1/2;-mx,0,0) (-x,0,-1/2;mx,0,0) (x+1/2,0,1/2;-mx,0,0) (x,0,3/2;-mx,0,0) (-x+1/2,0,1/2;mx,0,0) (-x,0,1/2;-mx,0,0) (x+1/2,0,3/2;mx,0,0) 16h (x,0,0;0,my,mz) (x,0,1;0,-my,-mz) (-x+1/2,0,0;0,my,-mz) (-x+1/2,0,1;0,-my,mz) (-x,0,0;0,my,mz) (-x,0,1;0,-my,-mz) (x+1/2,0,0;0,my,-mz) (x+1/2,0,1;0,-my,mz) 8g (0,1/4,z;0,0,mz) (0,-1/4,-z+1;0,0,-mz) (0,-1/4,-z;0,0,mz) (0,1/4,z+1;0,0,-mz) 8f (1/4,1/4,1/2;mx,0,mz) (1/4,-1/4,1/2;mx,0,-mz) (1/4,1/4,-1/2;-mx,0,-mz) (1/4,-1/4,3/2;-mx,0,mz) 8e (1/4,1/4,0;0,0,0) (1/4,-1/4,1;0,0,0) (-1/4,-1/4,0;0,0,0) (-1/4,1/4,1;0,0,0) 8d (0,0,1/2;0,0,0) (1/2,0,-1/2;0,0,0) (0,0,-1/2;0,0,0) (1/2,0,1/2;0,0,0) 8c (0,0,0;0,my,mz) (0,0,1;0,-my,-mz) (1/2,0,0;0,my,-mz) (1/2,0,1;0,-my,mz) 8b (1/4,0,1/2;mx,0,0) (1/4,0,-1/2;-mx,0,0) (-1/4,0,-1/2;mx,0,0) (3/4,0,1/2;-mx,0,0) 8a (1/4,0,0;0,my,0) (1/4,0,1;0,-my,0) (-1/4,0,0;0,my,0) (-1/4,0,1;0,-my,0) ---------- UNI: 74.554 Imma.1 BNS: 74.554 Imma OG: 74.1.650 Imma Operators: (1|0,0,0) (2x|0,0,0) (2y|0,1/2,0) (2z|0,1/2,0) (-1|0,0,0) (mx|0,0,0) (my|0,1/2,0) (mz|0,1/2,0) Wyckoff positions: (0,0,0)+ (1/2,1/2,1/2)+ 16j (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y+1/2,-z;-mx,my,-mz) (-x,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x,-y+1/2,z;-mx,my,-mz) (x,y+1/2,-z;-mx,-my,mz) 8i (x,1/4,z;0,my,0) (x,3/4,-z;0,-my,0) (-x,3/4,-z;0,my,0) (-x,1/4,z;0,-my,0) 8h (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (0,y+1/2,-z;-mx,0,0) (0,-y+1/2,z;-mx,0,0) 8g (1/4,y,1/4;0,my,0) (1/4,-y,3/4;0,-my,0) (3/4,-y,3/4;0,my,0) (3/4,y,1/4;0,-my,0) 8f (x,0,0;mx,0,0) (-x,1/2,0;-mx,0,0) (-x,0,0;mx,0,0) (x,1/2,0;-mx,0,0) 4e (0,1/4,z;0,0,0) (0,3/4,-z;0,0,0) 4d (1/4,1/4,3/4;0,my,0) (1/4,3/4,1/4;0,-my,0) 4c (1/4,1/4,1/4;0,my,0) (1/4,3/4,3/4;0,-my,0) 4b (0,0,1/2;mx,0,0) (0,1/2,1/2;-mx,0,0) 4a (0,0,0;mx,0,0) (0,1/2,0;-mx,0,0) ---------- UNI: 74.555 Imma.1' BNS: 74.555 Imma1' OG: 74.2.651 Imma1' Operators: (1|0,0,0) (2x|0,0,0) (2y|0,1/2,0) (2z|0,1/2,0) (-1|0,0,0) (mx|0,0,0) (my|0,1/2,0) (mz|0,1/2,0) (1|0,0,0)' (2x|0,0,0)' (2y|0,1/2,0)' (2z|0,1/2,0)' (-1|0,0,0)' (mx|0,0,0)' (my|0,1/2,0)' (mz|0,1/2,0)' Wyckoff positions: (0,0,0)+ (1/2,1/2,1/2)+ 16j (x,y,z;0,0,0) (x,-y,-z;0,0,0) (-x,y+1/2,-z;0,0,0) (-x,-y+1/2,z;0,0,0) (-x,-y,-z;0,0,0) (-x,y,z;0,0,0) (x,-y+1/2,z;0,0,0) (x,y+1/2,-z;0,0,0) 8i (x,1/4,z;0,0,0) (x,3/4,-z;0,0,0) (-x,3/4,-z;0,0,0) (-x,1/4,z;0,0,0) 8h (0,y,z;0,0,0) (0,-y,-z;0,0,0) (0,y+1/2,-z;0,0,0) (0,-y+1/2,z;0,0,0) 8g (1/4,y,1/4;0,0,0) (1/4,-y,3/4;0,0,0) (3/4,-y,3/4;0,0,0) (3/4,y,1/4;0,0,0) 8f (x,0,0;0,0,0) (-x,1/2,0;0,0,0) (-x,0,0;0,0,0) (x,1/2,0;0,0,0) 4e (0,1/4,z;0,0,0) (0,3/4,-z;0,0,0) 4d (1/4,1/4,3/4;0,0,0) (1/4,3/4,1/4;0,0,0) 4c (1/4,1/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) 4b (0,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) 4a (0,0,0;0,0,0) (0,1/2,0;0,0,0) ---------- UNI: 74.556 Im'ma BNS: 74.556 Im'ma OG: 74.3.652 Im'ma Operators: (1|0,0,0) (2x|0,0,0) (2y|0,1/2,0)' (2z|0,1/2,0)' (-1|0,0,0)' (mx|0,0,0)' (my|0,1/2,0) (mz|0,1/2,0) Wyckoff positions: (0,0,0)+ (1/2,1/2,1/2)+ 16j (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y+1/2,-z;mx,-my,mz) (-x,-y+1/2,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x,-y+1/2,z;-mx,my,-mz) (x,y+1/2,-z;-mx,-my,mz) 8i (x,1/4,z;0,my,0) (x,3/4,-z;0,-my,0) (-x,3/4,-z;0,-my,0) (-x,1/4,z;0,my,0) 8h (0,y,z;0,my,mz) (0,-y,-z;0,-my,-mz) (0,y+1/2,-z;0,-my,mz) (0,-y+1/2,z;0,my,-mz) 8g (1/4,y,1/4;mx,0,mz) (1/4,-y,3/4;mx,0,-mz) (1/4,-y+1/2,1/4;-mx,0,-mz) (1/4,y+1/2,3/4;-mx,0,mz) 8f (x,0,0;mx,0,0) (-x,1/2,0;mx,0,0) (-x,0,0;-mx,0,0) (x,1/2,0;-mx,0,0) 4e (0,1/4,z;0,my,0) (0,3/4,-z;0,-my,0) 4d (1/4,1/4,3/4;0,0,0) (1/4,3/4,1/4;0,0,0) 4c (1/4,1/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) 4b (0,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) 4a (0,0,0;0,0,0) (0,1/2,0;0,0,0) ---------- UNI: 74.557 Imma' BNS: 74.557 Imma' OG: 74.4.653 Imma' Operators: (1|0,0,0) (2x|0,0,0)' (2y|0,1/2,0)' (2z|0,1/2,0) (-1|0,0,0)' (mx|0,0,0) (my|0,1/2,0) (mz|0,1/2,0)' Wyckoff positions: (0,0,0)+ (1/2,1/2,1/2)+ 16j (x,y,z;mx,my,mz) (x,-y,-z;-mx,my,mz) (-x,y+1/2,-z;mx,-my,mz) (-x,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z;mx,-my,-mz) (x,-y+1/2,z;-mx,my,-mz) (x,y+1/2,-z;mx,my,-mz) 8i (x,1/4,z;0,my,0) (x,3/4,-z;0,my,0) (-x,3/4,-z;0,-my,0) (-x,1/4,z;0,-my,0) 8h (0,y,z;mx,0,0) (0,-y,-z;-mx,0,0) (0,y+1/2,-z;mx,0,0) (0,-y+1/2,z;-mx,0,0) 8g (1/4,y,1/4;mx,0,mz) (3/4,-y+1/2,1/4;-mx,0,mz) (1/4,-y+1/2,1/4;-mx,0,-mz) (3/4,y,1/4;mx,0,-mz) 8f (x,0,0;0,my,mz) (-x,1/2,0;0,-my,mz) (-x,0,0;0,-my,-mz) (x,1/2,0;0,my,-mz) 4e (0,1/4,z;0,0,0) (0,3/4,-z;0,0,0) 4d (1/4,1/4,3/4;0,0,0) (3/4,1/4,3/4;0,0,0) 4c (1/4,1/4,1/4;0,0,0) (3/4,1/4,1/4;0,0,0) 4b (0,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) 4a (0,0,0;0,0,0) (0,1/2,0;0,0,0) ---------- UNI: 74.558 Im'm'a BNS: 74.558 Im'm'a OG: 74.5.654 Im'm'a Operators: (1|0,0,0) (2x|0,0,0)' (2y|0,1/2,0)' (2z|0,1/2,0) (-1|0,0,0) (mx|0,0,0)' (my|0,1/2,0)' (mz|0,1/2,0) Wyckoff positions: (0,0,0)+ (1/2,1/2,1/2)+ 16j (x,y,z;mx,my,mz) (x,-y,-z;-mx,my,mz) (-x,y+1/2,-z;mx,-my,mz) (-x,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;-mx,my,mz) (x,-y+1/2,z;mx,-my,mz) (x,y+1/2,-z;-mx,-my,mz) 8i (x,1/4,z;mx,0,mz) (x,3/4,-z;-mx,0,mz) (-x,3/4,-z;mx,0,mz) (-x,1/4,z;-mx,0,mz) 8h (0,y,z;0,my,mz) (0,-y,-z;0,my,mz) (0,y+1/2,-z;0,-my,mz) (0,-y+1/2,z;0,-my,mz) 8g (1/4,y,1/4;mx,0,mz) (3/4,-y+1/2,1/4;-mx,0,mz) (3/4,-y,3/4;mx,0,mz) (1/4,y+1/2,3/4;-mx,0,mz) 8f (x,0,0;0,my,mz) (-x,1/2,0;0,-my,mz) (-x,0,0;0,my,mz) (x,1/2,0;0,-my,mz) 4e (0,1/4,z;0,0,mz) (0,3/4,-z;0,0,mz) 4d (1/4,1/4,3/4;mx,0,mz) (3/4,1/4,3/4;-mx,0,mz) 4c (1/4,1/4,1/4;mx,0,mz) (3/4,1/4,1/4;-mx,0,mz) 4b (0,0,1/2;0,my,mz) (0,1/2,1/2;0,-my,mz) 4a (0,0,0;0,my,mz) (0,1/2,0;0,-my,mz) ---------- UNI: 74.559 Imm'a' BNS: 74.559 Imm'a' OG: 74.6.655 Imm'a' Operators: (1|0,0,0) (2x|0,0,0) (2y|0,1/2,0)' (2z|0,1/2,0)' (-1|0,0,0) (mx|0,0,0) (my|0,1/2,0)' (mz|0,1/2,0)' Wyckoff positions: (0,0,0)+ (1/2,1/2,1/2)+ 16j (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y+1/2,-z;mx,-my,mz) (-x,-y+1/2,z;mx,my,-mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x,-y+1/2,z;mx,-my,mz) (x,y+1/2,-z;mx,my,-mz) 8i (x,1/4,z;mx,0,mz) (x,3/4,-z;mx,0,-mz) (-x,3/4,-z;mx,0,mz) (-x,1/4,z;mx,0,-mz) 8h (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (0,y+1/2,-z;mx,0,0) (0,-y+1/2,z;mx,0,0) 8g (1/4,y,1/4;mx,0,mz) (1/4,-y,3/4;mx,0,-mz) (3/4,-y,3/4;mx,0,mz) (3/4,y,1/4;mx,0,-mz) 8f (x,0,0;mx,0,0) (-x,1/2,0;mx,0,0) (-x,0,0;mx,0,0) (x,1/2,0;mx,0,0) 4e (0,1/4,z;mx,0,0) (0,3/4,-z;mx,0,0) 4d (1/4,1/4,3/4;mx,0,mz) (1/4,3/4,1/4;mx,0,-mz) 4c (1/4,1/4,1/4;mx,0,mz) (1/4,3/4,3/4;mx,0,-mz) 4b (0,0,1/2;mx,0,0) (0,1/2,1/2;mx,0,0) 4a (0,0,0;mx,0,0) (0,1/2,0;mx,0,0) ---------- UNI: 74.560 Im'm'a' BNS: 74.560 Im'm'a' OG: 74.7.656 Im'm'a' Operators: (1|0,0,0) (2x|0,0,0) (2y|0,1/2,0) (2z|0,1/2,0) (-1|0,0,0)' (mx|0,0,0)' (my|0,1/2,0)' (mz|0,1/2,0)' Wyckoff positions: (0,0,0)+ (1/2,1/2,1/2)+ 16j (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y+1/2,-z;-mx,my,-mz) (-x,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x,-y+1/2,z;mx,-my,mz) (x,y+1/2,-z;mx,my,-mz) 8i (x,1/4,z;mx,0,mz) (x,3/4,-z;mx,0,-mz) (-x,3/4,-z;-mx,0,-mz) (-x,1/4,z;-mx,0,mz) 8h (0,y,z;0,my,mz) (0,-y,-z;0,-my,-mz) (0,y+1/2,-z;0,my,-mz) (0,-y+1/2,z;0,-my,mz) 8g (1/4,y,1/4;0,my,0) (1/4,-y,3/4;0,-my,0) (3/4,-y,3/4;0,-my,0) (3/4,y,1/4;0,my,0) 8f (x,0,0;mx,0,0) (-x,1/2,0;-mx,0,0) (-x,0,0;-mx,0,0) (x,1/2,0;mx,0,0) 4e (0,1/4,z;0,0,mz) (0,3/4,-z;0,0,-mz) 4d (1/4,1/4,3/4;0,0,0) (1/4,3/4,1/4;0,0,0) 4c (1/4,1/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) 4b (0,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) 4a (0,0,0;0,0,0) (0,1/2,0;0,0,0) ---------- UNI: 74.561 Imma.1'_c[Cmma] BNS: 74.561 I_cmma OG: 67.16.592 C_Imm'a OG-BNS transformation: (0,0,1/2;a,b,2c) Operators (BNS): (1|0,0,0) (2x|0,0,0) (2y|0,1/2,0) (2z|0,1/2,0) (-1|0,0,0) (mx|0,0,0) (my|0,1/2,0) (mz|0,1/2,0) (1|0,0,1/2)' (2x|0,0,1/2)' (2y|1/2,0,0)' (2z|1/2,0,0)' (-1|0,0,1/2)' (mx|0,0,1/2)' (my|1/2,0,0)' (mz|1/2,0,0)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,1/2)+ 32o (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y+1/2,-z;-mx,my,-mz) (-x,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x,-y+1/2,z;-mx,my,-mz) (x,y+1/2,-z;-mx,-my,mz) (x,y,z+1/2;-mx,-my,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x+1/2,y,-z;mx,-my,mz) (-x+1/2,-y,z;mx,my,-mz) (-x,-y,-z+1/2;-mx,-my,-mz) (-x,y,z+1/2;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) (x+1/2,y,-z;mx,my,-mz) 16n (x,1/4,z;0,my,0) (x,3/4,-z;0,-my,0) (-x,3/4,-z;0,my,0) (-x,1/4,z;0,-my,0) (x,1/4,z+1/2;0,-my,0) (x,3/4,-z+1/2;0,my,0) (-x+1/2,1/4,-z;0,-my,0) (-x+1/2,3/4,z;0,my,0) 16m (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (0,y+1/2,-z;-mx,0,0) (0,-y+1/2,z;-mx,0,0) (0,y,z+1/2;-mx,0,0) (0,-y,-z+1/2;-mx,0,0) (1/2,y,-z;mx,0,0) (1/2,-y,z;mx,0,0) 16l (1/4,0,z;mx,my,0) (1/4,0,-z;mx,-my,0) (3/4,1/2,-z;-mx,my,0) (3/4,1/2,z;-mx,-my,0) (3/4,0,-z;mx,my,0) (3/4,0,z;mx,-my,0) (1/4,1/2,z;-mx,my,0) (1/4,1/2,-z;-mx,-my,0) 16k (1/4,y,0;mx,0,mz) (1/4,-y,0;mx,0,-mz) (3/4,y+1/2,0;-mx,0,-mz) (3/4,-y+1/2,0;-mx,0,mz) (3/4,-y,0;mx,0,mz) (3/4,y,0;mx,0,-mz) (1/4,-y+1/2,0;-mx,0,-mz) (1/4,y+1/2,0;-mx,0,mz) 16j (1/4,y,3/4;0,my,0) (1/4,-y,1/4;0,-my,0) (3/4,-y,1/4;0,my,0) (3/4,y,3/4;0,-my,0) (1/4,y,1/4;0,-my,0) (1/4,-y,3/4;0,my,0) (3/4,-y,3/4;0,-my,0) (3/4,y,1/4;0,my,0) 16i (x,0,0;mx,0,0) (-x,1/2,0;-mx,0,0) (-x,0,0;mx,0,0) (x,1/2,0;-mx,0,0) (x,0,1/2;-mx,0,0) (-x+1/2,0,0;mx,0,0) (-x,0,1/2;-mx,0,0) (x+1/2,0,0;mx,0,0) 16h (x,0,3/4;0,my,mz) (x,0,1/4;0,-my,-mz) (-x,1/2,1/4;0,my,-mz) (-x,1/2,3/4;0,-my,mz) (-x,0,1/4;0,my,mz) (-x,0,3/4;0,-my,-mz) (x,1/2,3/4;0,my,-mz) (x,1/2,1/4;0,-my,mz) 8g (0,1/4,z;0,0,0) (0,3/4,-z;0,0,0) (0,1/4,z+1/2;0,0,0) (0,3/4,-z+1/2;0,0,0) 8f (1/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) (3/4,3/4,0;0,0,0) (3/4,1/4,0;0,0,0) 8e (1/4,1/4,3/4;0,my,0) (1/4,3/4,1/4;0,-my,0) (1/4,1/4,1/4;0,-my,0) (1/4,3/4,3/4;0,my,0) 8d (0,0,0;mx,0,0) (0,1/2,0;-mx,0,0) (0,0,1/2;-mx,0,0) (1/2,0,0;mx,0,0) 8c (0,0,3/4;0,0,0) (0,0,1/4;0,0,0) (0,1/2,1/4;0,0,0) (0,1/2,3/4;0,0,0) 8b (1/4,0,0;mx,0,0) (3/4,1/2,0;-mx,0,0) (3/4,0,0;mx,0,0) (1/4,1/2,0;-mx,0,0) 8a (1/4,0,3/4;0,my,0) (1/4,0,1/4;0,-my,0) (3/4,0,1/4;0,my,0) (3/4,0,3/4;0,-my,0) Operators (OG): (1|0,0,0) (2x|0,0,1) (2y|1/2,0,0) (2z|1/2,0,1) (-1|0,0,1) (mx|0,0,0) (my|1/2,0,1) (mz|1/2,0,0) (1|0,0,1)' (2x|0,0,0)' (2y|1/2,0,1)' (2z|1/2,0,0)' (-1|0,0,0)' (mx|0,0,1)' (my|1/2,0,0)' (mz|1/2,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ (1/2,1/2,1)+ 32o (x,y,z;mx,my,mz) (x,-y,-z+1;mx,-my,-mz) (-x+1/2,y,-z;-mx,my,-mz) (-x+1/2,-y,z+1;-mx,-my,mz) (-x,-y,-z+1;mx,my,mz) (-x,y,z;mx,-my,-mz) (x+1/2,-y,z+1;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) (x,y,z+1;-mx,-my,-mz) (x,-y,-z;-mx,my,mz) (-x+1/2,y,-z+1;mx,-my,mz) (-x+1/2,-y,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z+1;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) (x+1/2,y,-z+1;mx,my,-mz) 16n (x,1/4,z;0,my,0) (x,-1/4,-z+1;0,-my,0) (-x+1/2,1/4,-z;0,my,0) (-x+1/2,-1/4,z+1;0,-my,0) (x,1/4,z+1;0,-my,0) (x,-1/4,-z;0,my,0) (-x+1/2,1/4,-z+1;0,-my,0) (-x+1/2,-1/4,z;0,my,0) 16m (0,y,z;mx,0,0) (0,-y,-z+1;mx,0,0) (1/2,y,-z;-mx,0,0) (1/2,-y,z+1;-mx,0,0) (0,y,z+1;-mx,0,0) (0,-y,-z;-mx,0,0) (1/2,y,-z+1;mx,0,0) (1/2,-y,z;mx,0,0) 16l (1/4,0,z;mx,my,0) (1/4,0,-z+1;mx,-my,0) (1/4,0,-z;-mx,my,0) (1/4,0,z+1;-mx,-my,0) (-1/4,0,-z+1;mx,my,0) (-1/4,0,z;mx,-my,0) (3/4,0,z+1;-mx,my,0) (3/4,0,-z;-mx,-my,0) 16k (1/4,y,1/2;mx,0,mz) (1/4,-y,1/2;mx,0,-mz) (1/4,y,-1/2;-mx,0,-mz) (1/4,-y,3/2;-mx,0,mz) (-1/4,-y,1/2;mx,0,mz) (-1/4,y,1/2;mx,0,-mz) (3/4,-y,3/2;-mx,0,-mz) (3/4,y,-1/2;-mx,0,mz) 16j (1/4,y,0;0,my,0) (1/4,-y,1;0,-my,0) (-1/4,-y,1;0,my,0) (-1/4,y,0;0,-my,0) (1/4,y,1;0,-my,0) (1/4,-y,0;0,my,0) (-1/4,-y,0;0,-my,0) (-1/4,y,1;0,my,0) 16i (x,0,1/2;mx,0,0) (-x+1/2,0,-1/2;-mx,0,0) (-x,0,1/2;mx,0,0) (x+1/2,0,3/2;-mx,0,0) (x,0,3/2;-mx,0,0) (-x+1/2,0,1/2;mx,0,0) (-x,0,-1/2;-mx,0,0) (x+1/2,0,1/2;mx,0,0) 16h (x,0,0;0,my,mz) (x,0,1;0,-my,-mz) (-x+1/2,0,0;0,my,-mz) (-x+1/2,0,1;0,-my,mz) (-x,0,1;0,my,mz) (-x,0,0;0,-my,-mz) (x+1/2,0,1;0,my,-mz) (x+1/2,0,0;0,-my,mz) 8g (0,1/4,z;0,0,0) (0,-1/4,-z+1;0,0,0) (0,1/4,z+1;0,0,0) (0,-1/4,-z;0,0,0) 8f (1/4,1/4,1/2;0,0,0) (1/4,-1/4,1/2;0,0,0) (1/4,1/4,-1/2;0,0,0) (1/4,-1/4,3/2;0,0,0) 8e (1/4,1/4,0;0,my,0) (1/4,-1/4,1;0,-my,0) (1/4,1/4,1;0,-my,0) (1/4,-1/4,0;0,my,0) 8d (0,0,1/2;mx,0,0) (1/2,0,-1/2;-mx,0,0) (0,0,3/2;-mx,0,0) (1/2,0,1/2;mx,0,0) 8c (0,0,0;0,0,0) (0,0,1;0,0,0) (1/2,0,0;0,0,0) (1/2,0,1;0,0,0) 8b (1/4,0,1/2;mx,0,0) (1/4,0,-1/2;-mx,0,0) (-1/4,0,1/2;mx,0,0) (3/4,0,3/2;-mx,0,0) 8a (1/4,0,0;0,my,0) (1/4,0,1;0,-my,0) (-1/4,0,1;0,my,0) (-1/4,0,0;0,-my,0) ---------- UNI: 74.562 Imma.1'_b[Bmmm] BNS: 74.562 I_bmma OG: 65.18.562 C_Im'mm OG-BNS transformation: (0,0,1/2;b,2c,a) Operators (BNS): (1|0,0,0) (2x|0,0,0) (2y|0,1/2,0) (2z|0,1/2,0) (-1|0,0,0) (mx|0,0,0) (my|0,1/2,0) (mz|0,1/2,0) (1|0,1/2,0)' (2x|0,1/2,0)' (2y|0,0,0)' (2z|0,0,0)' (-1|0,1/2,0)' (mx|0,1/2,0)' (my|0,0,0)' (mz|0,0,0)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,1/2)+ 32r (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y+1/2,-z;-mx,my,-mz) (-x,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x,-y+1/2,z;-mx,my,-mz) (x,y+1/2,-z;-mx,-my,mz) (x,y+1/2,z;-mx,-my,-mz) (x,-y+1/2,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z;mx,my,-mz) (-x,-y+1/2,-z;-mx,-my,-mz) (-x,y+1/2,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x,y,-z;mx,my,-mz) 16q (x,0,z;mx,0,mz) (x,0,-z;mx,0,-mz) (-x,1/2,-z;-mx,0,-mz) (-x,1/2,z;-mx,0,mz) (-x,0,-z;mx,0,mz) (-x,0,z;mx,0,-mz) (x,1/2,z;-mx,0,-mz) (x,1/2,-z;-mx,0,mz) 16p (x,3/4,z;0,my,0) (x,1/4,-z;0,-my,0) (-x,1/4,-z;0,my,0) (-x,3/4,z;0,-my,0) (x,1/4,z;0,-my,0) (x,3/4,-z;0,my,0) (-x,3/4,-z;0,-my,0) (-x,1/4,z;0,my,0) 16o (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (0,y+1/2,-z;-mx,0,0) (0,-y+1/2,z;-mx,0,0) (0,y+1/2,z;-mx,0,0) (0,-y+1/2,-z;-mx,0,0) (0,y,-z;mx,0,0) (0,-y,z;mx,0,0) 16n (x,y,0;mx,my,0) (x,-y,0;mx,-my,0) (-x,y+1/2,0;-mx,my,0) (-x,-y+1/2,0;-mx,-my,0) (-x,-y,0;mx,my,0) (-x,y,0;mx,-my,0) (x,-y+1/2,0;-mx,my,0) (x,y+1/2,0;-mx,-my,0) 16m (1/4,y,1/4;0,my,0) (1/4,-y,3/4;0,-my,0) (3/4,-y,3/4;0,my,0) (3/4,y,1/4;0,-my,0) (1/4,y+1/2,1/4;0,-my,0) (1/4,-y+1/2,3/4;0,my,0) (3/4,-y+1/2,3/4;0,-my,0) (3/4,y+1/2,1/4;0,my,0) 8l (1/2,y,0;mx,0,0) (1/2,-y,0;mx,0,0) (1/2,y+1/2,0;-mx,0,0) (1/2,-y+1/2,0;-mx,0,0) 8k (0,y,0;mx,0,0) (0,-y,0;mx,0,0) (0,y+1/2,0;-mx,0,0) (0,-y+1/2,0;-mx,0,0) 8j (x,0,0;mx,0,0) (-x,1/2,0;-mx,0,0) (-x,0,0;mx,0,0) (x,1/2,0;-mx,0,0) 8i (x,3/4,0;0,my,0) (x,1/4,0;0,-my,0) (-x,1/4,0;0,my,0) (-x,3/4,0;0,-my,0) 8h (0,0,z;mx,0,0) (0,0,-z;mx,0,0) (0,1/2,-z;-mx,0,0) (0,1/2,z;-mx,0,0) 8g (0,3/4,z;0,0,0) (0,1/4,-z;0,0,0) (0,1/4,z;0,0,0) (0,3/4,-z;0,0,0) 8f (1/4,0,1/4;0,0,0) (1/4,0,3/4;0,0,0) (3/4,0,3/4;0,0,0) (3/4,0,1/4;0,0,0) 8e (1/4,3/4,1/4;0,my,0) (1/4,1/4,3/4;0,-my,0) (1/4,1/4,1/4;0,-my,0) (1/4,3/4,3/4;0,my,0) 4d (0,0,0;mx,0,0) (0,1/2,0;-mx,0,0) 4c (0,0,1/2;mx,0,0) (0,1/2,1/2;-mx,0,0) 4b (0,3/4,1/2;0,0,0) (0,1/4,1/2;0,0,0) 4a (0,3/4,0;0,0,0) (0,1/4,0;0,0,0) Operators (OG): (1|0,0,0) (2y|0,0,1) (2z|0,0,1) (2x|0,0,0) (-1|0,0,1) (my|0,0,0) (mz|0,0,0) (mx|0,0,1) (1|0,0,1)' (2y|0,0,0)' (2z|0,0,0)' (2x|0,0,1)' (-1|0,0,0)' (my|0,0,1)' (mz|0,0,1)' (mx|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (0,1,0)+ (0,0,2)+ (1,0,0)+ (1/2,1/2,1)+ 32r (x,y,z;mx,my,mz) (-x,y,-z+1;-mx,my,-mz) (-x,-y,z+1;-mx,-my,mz) (x,-y,-z;mx,-my,-mz) (-x,-y,-z+1;mx,my,mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (-x,y,z+1;mx,-my,-mz) (x,y,z+1;-mx,-my,-mz) (-x,y,-z;mx,-my,mz) (-x,-y,z;mx,my,-mz) (x,-y,-z+1;-mx,my,mz) (-x,-y,-z;-mx,-my,-mz) (x,-y,z+1;mx,-my,mz) (x,y,-z+1;mx,my,-mz) (-x,y,z;-mx,my,mz) 16q (x,y,1/2;mx,my,0) (-x,y,1/2;-mx,my,0) (-x,-y,3/2;-mx,-my,0) (x,-y,-1/2;mx,-my,0) (-x,-y,1/2;mx,my,0) (x,-y,1/2;-mx,my,0) (x,y,-1/2;-mx,-my,0) (-x,y,3/2;mx,-my,0) 16p (x,y,0;0,0,mz) (-x,y,1;0,0,-mz) (-x,-y,1;0,0,mz) (x,-y,0;0,0,-mz) (x,y,1;0,0,-mz) (-x,y,0;0,0,mz) (-x,-y,0;0,0,-mz) (x,-y,1;0,0,mz) 16o (x,0,z;0,my,0) (-x,0,-z+1;0,my,0) (-x,0,z+1;0,-my,0) (x,0,-z;0,-my,0) (x,0,z+1;0,-my,0) (-x,0,-z;0,-my,0) (-x,0,z;0,my,0) (x,0,-z+1;0,my,0) 16n (0,y,z;0,my,mz) (0,y,-z+1;0,my,-mz) (0,-y,z+1;0,-my,mz) (0,-y,-z;0,-my,-mz) (0,-y,-z+1;0,my,mz) (0,-y,z;0,my,-mz) (0,y,-z;0,-my,mz) (0,y,z+1;0,-my,-mz) 16m (1/4,1/4,z;0,0,mz) (-1/4,1/4,-z+1;0,0,-mz) (-1/4,-1/4,-z+1;0,0,mz) (1/4,-1/4,z;0,0,-mz) (1/4,1/4,z+1;0,0,-mz) (-1/4,1/4,-z;0,0,mz) (-1/4,-1/4,-z;0,0,-mz) (1/4,-1/4,z+1;0,0,mz) 8l (0,1/2,z;0,my,0) (0,1/2,-z+1;0,my,0) (0,-1/2,z+1;0,-my,0) (0,-1/2,-z;0,-my,0) 8k (0,0,z;0,my,0) (0,0,-z+1;0,my,0) (0,0,z+1;0,-my,0) (0,0,-z;0,-my,0) 8j (0,y,1/2;0,my,0) (0,-y,3/2;0,-my,0) (0,-y,1/2;0,my,0) (0,y,-1/2;0,-my,0) 8i (0,y,0;0,0,mz) (0,y,1;0,0,-mz) (0,-y,1;0,0,mz) (0,-y,0;0,0,-mz) 8h (x,0,1/2;0,my,0) (-x,0,1/2;0,my,0) (-x,0,3/2;0,-my,0) (x,0,-1/2;0,-my,0) 8g (x,0,0;0,0,0) (-x,0,1;0,0,0) (x,0,1;0,0,0) (-x,0,0;0,0,0) 8f (1/4,1/4,1/2;0,0,0) (-1/4,1/4,1/2;0,0,0) (-1/4,-1/4,1/2;0,0,0) (1/4,-1/4,1/2;0,0,0) 8e (1/4,1/4,0;0,0,mz) (-1/4,1/4,1;0,0,-mz) (1/4,1/4,1;0,0,-mz) (-1/4,1/4,0;0,0,mz) 4d (0,0,1/2;0,my,0) (0,0,3/2;0,-my,0) 4c (1/2,0,1/2;0,my,0) (-1/2,0,3/2;0,-my,0) 4b (1/2,0,0;0,0,0) (-1/2,0,1;0,0,0) 4a (0,0,0;0,0,0) (0,0,1;0,0,0) ---------- UNI: 75.1 P4.1 BNS: 75.1 P4 OG: 75.1.661 P4 Operators: (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2z|0,0,0) Wyckoff positions: 4d (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (-x,-y,z;-mx,-my,mz) 2c (0,1/2,z;0,0,mz) (1/2,0,z;0,0,mz) 1b (1/2,1/2,z;0,0,mz) 1a (0,0,z;0,0,mz) ---------- UNI: 75.2 P4.1' BNS: 75.2 P41' OG: 75.2.662 P41' Operators: (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2z|0,0,0) (1|0,0,0)' (4z|0,0,0)' (4z-1|0,0,0)' (2z|0,0,0)' Wyckoff positions: 4d (x,y,z;0,0,0) (-y,x,z;0,0,0) (y,-x,z;0,0,0) (-x,-y,z;0,0,0) 2c (0,1/2,z;0,0,0) (1/2,0,z;0,0,0) 1b (1/2,1/2,z;0,0,0) 1a (0,0,z;0,0,0) ---------- UNI: 75.3 P4' BNS: 75.3 P4' OG: 75.3.663 P4' Operators: (1|0,0,0) (4z|0,0,0)' (4z-1|0,0,0)' (2z|0,0,0) Wyckoff positions: 4d (x,y,z;mx,my,mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (-x,-y,z;-mx,-my,mz) 2c (0,1/2,z;0,0,mz) (1/2,0,z;0,0,-mz) 1b (1/2,1/2,z;0,0,0) 1a (0,0,z;0,0,0) ---------- UNI: 75.4 P4.1'_c[P4] BNS: 75.4 P_c4 OG: 75.4.664 P_2c4 OG-BNS transformation: (0,0,0;a,b,2c) Operators (BNS): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2z|0,0,0) (1|0,0,1/2)' (4z|0,0,1/2)' (4z-1|0,0,1/2)' (2z|0,0,1/2)' Wyckoff positions (BNS): 8d (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (x,y,z+1/2;-mx,-my,-mz) (-y,x,z+1/2;my,-mx,-mz) (y,-x,z+1/2;-my,mx,-mz) (-x,-y,z+1/2;mx,my,-mz) 4c (0,1/2,z;0,0,mz) (1/2,0,z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) (1/2,0,z+1/2;0,0,-mz) 2b (1/2,1/2,z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) 2a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) Operators (OG): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2z|0,0,0) (1|0,0,1)' (4z|0,0,1)' (4z-1|0,0,1)' (2z|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 8d (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (x,y,z+1;-mx,-my,-mz) (-y,x,z+1;my,-mx,-mz) (y,-x,z+1;-my,mx,-mz) (-x,-y,z+1;mx,my,-mz) 4c (0,1/2,z;0,0,mz) (-1/2,0,z;0,0,mz) (0,1/2,z+1;0,0,-mz) (-1/2,0,z+1;0,0,-mz) 2b (1/2,1/2,z;0,0,mz) (1/2,1/2,z+1;0,0,-mz) 2a (0,0,z;0,0,mz) (0,0,z+1;0,0,-mz) ---------- UNI: 75.5 P4.1'_C[rP4] BNS: 75.5 P_C4 OG: 75.5.665 P_P4 OG-BNS transformation: (0,0,0;a-b,a+b,c) Operators (BNS): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2z|0,0,0) (1|1/2,1/2,0)' (4z|1/2,1/2,0)' (4z-1|1/2,1/2,0)' (2z|1/2,1/2,0)' Wyckoff positions (BNS): 8d (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-y+1/2,x+1/2,z;my,-mx,-mz) (y+1/2,-x+1/2,z;-my,mx,-mz) (-x+1/2,-y+1/2,z;mx,my,-mz) 4c (3/4,1/4,z;mx,my,0) (3/4,3/4,z;-my,mx,0) (1/4,1/4,z;my,-mx,0) (1/4,3/4,z;-mx,-my,0) 2b (0,1/2,z;0,0,0) (1/2,0,z;0,0,0) 2a (0,0,z;0,0,mz) (1/2,1/2,z;0,0,-mz) Operators (OG): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2z|0,0,0) (1|1,0,0)' (4z|1,0,0)' (4z-1|1,0,0)' (2z|1,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ 8d (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (x+1,y,z;-mx,-my,-mz) (-y+1,x,z;my,-mx,-mz) (y+1,-x,z;-my,mx,-mz) (-x+1,-y,z;mx,my,-mz) 4c (0,1/2,z;mx,my,0) (-1/2,0,z;-my,mx,0) (1/2,0,z;my,-mx,0) (0,-1/2,z;-mx,-my,0) 2b (1/2,1/2,z;0,0,0) (-1/2,1/2,z;0,0,0) 2a (0,0,z;0,0,mz) (1,0,z;0,0,-mz) ---------- UNI: 75.6 P4.1'_I[I4] BNS: 75.6 P_I4 OG: 79.4.686 I_P4 OG-BNS transformation: (0,0,0;a,b,c) Operators (BNS): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2z|0,0,0) (1|1/2,1/2,1/2)' (4z|1/2,1/2,1/2)' (4z-1|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' Wyckoff positions (BNS): 8c (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-y+1/2,x+1/2,z+1/2;my,-mx,-mz) (y+1/2,-x+1/2,z+1/2;-my,mx,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) 4b (0,1/2,z;0,0,mz) (1/2,0,z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) 2a (0,0,z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) Operators (OG): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2z|0,0,0) (1|1/2,1/2,1/2)' (4z|1/2,1/2,1/2)' (4z-1|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8c (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-y+1/2,x+1/2,z+1/2;my,-mx,-mz) (y+1/2,-x+1/2,z+1/2;-my,mx,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) 4b (0,1/2,z;0,0,mz) (-1/2,0,z;0,0,mz) (1/2,1,z+1/2;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) 2a (0,0,z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) ---------- UNI: 76.7 P4_1.1 BNS: 76.7 P4_1 OG: 76.1.668 P4_1 Operators: (1|0,0,0) (4z|0,0,1/4) (4z-1|0,0,3/4) (2z|0,0,1/2) Wyckoff positions: 4a (x,y,z;mx,my,mz) (-y,x,z+1/4;-my,mx,mz) (y,-x,z+3/4;my,-mx,mz) (-x,-y,z+1/2;-mx,-my,mz) ---------- UNI: 76.8 P4_1.1' BNS: 76.8 P4_11' OG: 76.2.669 P4_11' Operators: (1|0,0,0) (4z|0,0,1/4) (4z-1|0,0,3/4) (2z|0,0,1/2) (1|0,0,0)' (4z|0,0,1/4)' (4z-1|0,0,3/4)' (2z|0,0,1/2)' Wyckoff positions: 4a (x,y,z;0,0,0) (-y,x,z+1/4;0,0,0) (y,-x,z+3/4;0,0,0) (-x,-y,z+1/2;0,0,0) ---------- UNI: 76.9 P4_1' BNS: 76.9 P4_1' OG: 76.3.670 P4_1' Operators: (1|0,0,0) (4z|0,0,1/4)' (4z-1|0,0,3/4)' (2z|0,0,1/2) Wyckoff positions: 4a (x,y,z;mx,my,mz) (-y,x,z+1/4;my,-mx,-mz) (y,-x,z+3/4;-my,mx,-mz) (-x,-y,z+1/2;-mx,-my,mz) ---------- UNI: 76.10 P4_1.1'_c[P4_2] BNS: 76.10 P_c4_1 OG: 77.4.675 P_2c4_2 OG-BNS transformation: (0,0,0;a,b,2c) Operators (BNS): (1|0,0,0) (4z|0,0,1/4) (4z-1|0,0,3/4) (2z|0,0,1/2) (1|0,0,1/2)' (4z|0,0,3/4)' (4z-1|0,0,1/4)' (2z|0,0,0)' Wyckoff positions (BNS): 8d (x,y,z;mx,my,mz) (-y,x,z+1/4;-my,mx,mz) (y,-x,z+3/4;my,-mx,mz) (-x,-y,z+1/2;-mx,-my,mz) (x,y,z+1/2;-mx,-my,-mz) (-y,x,z+3/4;my,-mx,-mz) (y,-x,z+1/4;-my,mx,-mz) (-x,-y,z;mx,my,-mz) 4c (0,1/2,z;mx,my,0) (1/2,0,z+1/4;-my,mx,0) (1/2,0,z+3/4;my,-mx,0) (0,1/2,z+1/2;-mx,-my,0) 4b (1/2,1/2,z;mx,my,0) (1/2,1/2,z+1/4;-my,mx,0) (1/2,1/2,z+3/4;my,-mx,0) (1/2,1/2,z+1/2;-mx,-my,0) 4a (0,0,z;mx,my,0) (0,0,z+1/4;-my,mx,0) (0,0,z+3/4;my,-mx,0) (0,0,z+1/2;-mx,-my,0) Operators (OG): (1|0,0,0) (4z|0,0,1/2) (4z-1|0,0,3/2) (2z|0,0,1) (1|0,0,1)' (4z|0,0,3/2)' (4z-1|0,0,1/2)' (2z|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 8d (x,y,z;mx,my,mz) (-y,x,z+1/2;-my,mx,mz) (y,-x,z+3/2;my,-mx,mz) (-x,-y,z+1;-mx,-my,mz) (x,y,z+1;-mx,-my,-mz) (-y,x,z+3/2;my,-mx,-mz) (y,-x,z+1/2;-my,mx,-mz) (-x,-y,z;mx,my,-mz) 4c (0,1/2,z;mx,my,0) (-1/2,0,z+1/2;-my,mx,0) (1/2,0,z+3/2;my,-mx,0) (0,-1/2,z+1;-mx,-my,0) 4b (1/2,1/2,z;mx,my,0) (-1/2,1/2,z+1/2;-my,mx,0) (1/2,-1/2,z+3/2;my,-mx,0) (-1/2,-1/2,z+1;-mx,-my,0) 4a (0,0,z;mx,my,0) (0,0,z+1/2;-my,mx,0) (0,0,z+3/2;my,-mx,0) (0,0,z+1;-mx,-my,0) ---------- UNI: 76.11 P4_1.1'_C[rP4_1] BNS: 76.11 P_C4_1 OG: 76.4.671 P_P4_1 OG-BNS transformation: (0,0,0;a-b,a+b,c) Operators (BNS): (1|0,0,0) (4z|0,0,1/4) (4z-1|0,0,3/4) (2z|0,0,1/2) (1|1/2,1/2,0)' (4z|1/2,1/2,1/4)' (4z-1|1/2,1/2,3/4)' (2z|1/2,1/2,1/2)' Wyckoff positions (BNS): 8a (x,y,z;mx,my,mz) (-y,x,z+1/4;-my,mx,mz) (y,-x,z+3/4;my,-mx,mz) (-x,-y,z+1/2;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-y+1/2,x+1/2,z+1/4;my,-mx,-mz) (y+1/2,-x+1/2,z+3/4;-my,mx,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) Operators (OG): (1|0,0,0) (4z|0,0,1/4) (4z-1|0,0,3/4) (2z|0,0,1/2) (1|1,0,0)' (4z|1,0,1/4)' (4z-1|1,0,3/4)' (2z|1,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ 8a (x,y,z;mx,my,mz) (-y,x,z+1/4;-my,mx,mz) (y,-x,z+3/4;my,-mx,mz) (-x,-y,z+1/2;-mx,-my,mz) (x+1,y,z;-mx,-my,-mz) (-y+1,x,z+1/4;my,-mx,-mz) (y+1,-x,z+3/4;-my,mx,-mz) (-x+1,-y,z+1/2;mx,my,-mz) ---------- UNI: 76.12 P4_1.1'_I[I4_1] BNS: 76.12 P_I4_1 OG: 80.4.691 I_P4_1 OG-BNS transformation: (1/4,-1/4,0;a,b,c) Operators (BNS): (1|0,0,0) (4z|0,0,1/4) (4z-1|0,0,3/4) (2z|0,0,1/2) (1|1/2,1/2,1/2)' (4z|1/2,1/2,3/4)' (4z-1|1/2,1/2,1/4)' (2z|1/2,1/2,0)' Wyckoff positions (BNS): 8b (x,y,z;mx,my,mz) (-y,x,z+1/4;-my,mx,mz) (y,-x,z+3/4;my,-mx,mz) (-x,-y,z+1/2;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-y+1/2,x+1/2,z+3/4;my,-mx,-mz) (y+1/2,-x+1/2,z+1/4;-my,mx,-mz) (-x+1/2,-y+1/2,z;mx,my,-mz) 4a (3/4,1/4,z;mx,my,0) (3/4,3/4,z+1/4;-my,mx,0) (1/4,1/4,z+3/4;my,-mx,0) (1/4,3/4,z+1/2;-mx,-my,0) Operators (OG): (1|0,0,0) (4z|0,1/2,1/4) (4z-1|1/2,1,3/4) (2z|1/2,1/2,1/2) (1|1/2,1/2,1/2)' (4z|1/2,1,3/4)' (4z-1|0,1/2,1/4)' (2z|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8b (x,y,z;mx,my,mz) (-y,x+1/2,z+1/4;-my,mx,mz) (y+1/2,-x+1,z+3/4;my,-mx,mz) (-x+1/2,-y+1/2,z+1/2;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-y+1/2,x+1,z+3/4;my,-mx,-mz) (y,-x+1/2,z+1/4;-my,mx,-mz) (-x,-y,z;mx,my,-mz) 4a (0,0,z;mx,my,0) (0,1/2,z+1/4;-my,mx,0) (1/2,1,z+3/4;my,-mx,0) (1/2,1/2,z+1/2;-mx,-my,0) ---------- UNI: 77.13 P4_2.1 BNS: 77.13 P4_2 OG: 77.1.672 P4_2 Operators: (1|0,0,0) (4z|0,0,1/2) (4z-1|0,0,1/2) (2z|0,0,0) Wyckoff positions: 4d (x,y,z;mx,my,mz) (-y,x,z+1/2;-my,mx,mz) (y,-x,z+1/2;my,-mx,mz) (-x,-y,z;-mx,-my,mz) 2c (0,1/2,z;0,0,mz) (1/2,0,z+1/2;0,0,mz) 2b (1/2,1/2,z;0,0,mz) (1/2,1/2,z+1/2;0,0,mz) 2a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,mz) ---------- UNI: 77.14 P4_2.1' BNS: 77.14 P4_21' OG: 77.2.673 P4_21' Operators: (1|0,0,0) (4z|0,0,1/2) (4z-1|0,0,1/2) (2z|0,0,0) (1|0,0,0)' (4z|0,0,1/2)' (4z-1|0,0,1/2)' (2z|0,0,0)' Wyckoff positions: 4d (x,y,z;0,0,0) (-y,x,z+1/2;0,0,0) (y,-x,z+1/2;0,0,0) (-x,-y,z;0,0,0) 2c (0,1/2,z;0,0,0) (1/2,0,z+1/2;0,0,0) 2b (1/2,1/2,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) 2a (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) ---------- UNI: 77.15 P4_2' BNS: 77.15 P4_2' OG: 77.3.674 P4_2' Operators: (1|0,0,0) (4z|0,0,1/2)' (4z-1|0,0,1/2)' (2z|0,0,0) Wyckoff positions: 4d (x,y,z;mx,my,mz) (-y,x,z+1/2;my,-mx,-mz) (y,-x,z+1/2;-my,mx,-mz) (-x,-y,z;-mx,-my,mz) 2c (0,1/2,z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) 2b (1/2,1/2,z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) 2a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) ---------- UNI: 77.16 P4_2.1'_c[P4] BNS: 77.16 P_c4_2 OG: 75.7.667 P_2c4' OG-BNS transformation: (0,0,0;a,b,2c) Operators (BNS): (1|0,0,0) (4z|0,0,1/2) (4z-1|0,0,1/2) (2z|0,0,0) (1|0,0,1/2)' (4z|0,0,0)' (4z-1|0,0,0)' (2z|0,0,1/2)' Wyckoff positions (BNS): 8d (x,y,z;mx,my,mz) (-y,x,z+1/2;-my,mx,mz) (y,-x,z+1/2;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (x,y,z+1/2;-mx,-my,-mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (-x,-y,z+1/2;mx,my,-mz) 4c (0,1/2,z;0,0,mz) (1/2,0,z+1/2;0,0,mz) (0,1/2,z+1/2;0,0,-mz) (1/2,0,z;0,0,-mz) 2b (1/2,1/2,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) 2a (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) Operators (OG): (1|0,0,0) (4z|0,0,1) (4z-1|0,0,1) (2z|0,0,0) (1|0,0,1)' (4z|0,0,0)' (4z-1|0,0,0)' (2z|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 8d (x,y,z;mx,my,mz) (-y,x,z+1;-my,mx,mz) (y,-x,z+1;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (x,y,z+1;-mx,-my,-mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (-x,-y,z+1;mx,my,-mz) 4c (0,1/2,z;0,0,mz) (-1/2,0,z+1;0,0,mz) (0,1/2,z+1;0,0,-mz) (-1/2,0,z;0,0,-mz) 2b (1/2,1/2,z;0,0,0) (-1/2,1/2,z+1;0,0,0) 2a (0,0,z;0,0,0) (0,0,z+1;0,0,0) ---------- UNI: 77.17 P4_2.1'_C[rP4_2] BNS: 77.17 P_C4_2 OG: 77.5.676 P_P4_2 OG-BNS transformation: (0,0,0;a-b,a+b,c) Operators (BNS): (1|0,0,0) (4z|0,0,1/2) (4z-1|0,0,1/2) (2z|0,0,0) (1|1/2,1/2,0)' (4z|1/2,1/2,1/2)' (4z-1|1/2,1/2,1/2)' (2z|1/2,1/2,0)' Wyckoff positions (BNS): 8d (x,y,z;mx,my,mz) (-y,x,z+1/2;-my,mx,mz) (y,-x,z+1/2;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-y+1/2,x+1/2,z+1/2;my,-mx,-mz) (y+1/2,-x+1/2,z+1/2;-my,mx,-mz) (-x+1/2,-y+1/2,z;mx,my,-mz) 4c (3/4,1/4,z;mx,my,0) (3/4,3/4,z+1/2;-my,mx,0) (1/4,1/4,z+1/2;my,-mx,0) (1/4,3/4,z;-mx,-my,0) 4b (0,1/2,z;0,0,mz) (1/2,0,z+1/2;0,0,mz) (1/2,0,z;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) 4a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,mz) (1/2,1/2,z;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) Operators (OG): (1|0,0,0) (4z|0,0,1/2) (4z-1|0,0,1/2) (2z|0,0,0) (1|1,0,0)' (4z|1,0,1/2)' (4z-1|1,0,1/2)' (2z|1,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ 8d (x,y,z;mx,my,mz) (-y,x,z+1/2;-my,mx,mz) (y,-x,z+1/2;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (x+1,y,z;-mx,-my,-mz) (-y+1,x,z+1/2;my,-mx,-mz) (y+1,-x,z+1/2;-my,mx,-mz) (-x+1,-y,z;mx,my,-mz) 4c (0,1/2,z;mx,my,0) (-1/2,0,z+1/2;-my,mx,0) (1/2,0,z+1/2;my,-mx,0) (0,-1/2,z;-mx,-my,0) 4b (1/2,1/2,z;0,0,mz) (-1/2,1/2,z+1/2;0,0,mz) (3/2,1/2,z;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) 4a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,mz) (1,0,z;0,0,-mz) (1,0,z+1/2;0,0,-mz) ---------- UNI: 77.18 P4_2.1'_I[I4] BNS: 77.18 P_I4_2 OG: 79.5.687 I_P4' OG-BNS transformation: (0,1/2,0;a,b,c) Operators (BNS): (1|0,0,0) (4z|0,0,1/2) (4z-1|0,0,1/2) (2z|0,0,0) (1|1/2,1/2,1/2)' (4z|1/2,1/2,0)' (4z-1|1/2,1/2,0)' (2z|1/2,1/2,1/2)' Wyckoff positions (BNS): 8c (x,y,z;mx,my,mz) (-y,x,z+1/2;-my,mx,mz) (y,-x,z+1/2;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-y+1/2,x+1/2,z;my,-mx,-mz) (y+1/2,-x+1/2,z;-my,mx,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) 4b (0,0,z;0,0,mz) (0,0,z+1/2;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) (1/2,1/2,z;0,0,-mz) 2a (0,1/2,z;0,0,0) (1/2,0,z+1/2;0,0,0) Operators (OG): (1|0,0,0) (4z|1/2,1/2,1/2) (4z-1|1/2,1/2,1/2) (2z|0,0,0) (1|1/2,1/2,1/2)' (4z|0,0,0)' (4z-1|0,0,0)' (2z|1/2,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8c (x,y,z;mx,my,mz) (-y+1/2,x+1/2,z+1/2;-my,mx,mz) (y+1/2,-x+1/2,z+1/2;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) 4b (0,1/2,z;0,0,mz) (0,1/2,z+1/2;0,0,mz) (1/2,1,z+1/2;0,0,-mz) (-1/2,0,z;0,0,-mz) 2a (0,0,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) ---------- UNI: 78.19 P4_3.1 BNS: 78.19 P4_3 OG: 78.1.679 P4_3 Operators: (1|0,0,0) (4z|0,0,3/4) (4z-1|0,0,1/4) (2z|0,0,1/2) Wyckoff positions: 4a (x,y,z;mx,my,mz) (-y,x,z+3/4;-my,mx,mz) (y,-x,z+1/4;my,-mx,mz) (-x,-y,z+1/2;-mx,-my,mz) ---------- UNI: 78.20 P4_3.1' BNS: 78.20 P4_31' OG: 78.2.680 P4_31' Operators: (1|0,0,0) (4z|0,0,3/4) (4z-1|0,0,1/4) (2z|0,0,1/2) (1|0,0,0)' (4z|0,0,3/4)' (4z-1|0,0,1/4)' (2z|0,0,1/2)' Wyckoff positions: 4a (x,y,z;0,0,0) (-y,x,z+3/4;0,0,0) (y,-x,z+1/4;0,0,0) (-x,-y,z+1/2;0,0,0) ---------- UNI: 78.21 P4_3' BNS: 78.21 P4_3' OG: 78.3.681 P4_3' Operators: (1|0,0,0) (4z|0,0,3/4)' (4z-1|0,0,1/4)' (2z|0,0,1/2) Wyckoff positions: 4a (x,y,z;mx,my,mz) (-y,x,z+3/4;my,-mx,-mz) (y,-x,z+1/4;-my,mx,-mz) (-x,-y,z+1/2;-mx,-my,mz) ---------- UNI: 78.22 P4_3.1'_c[P4_2] BNS: 78.22 P_c4_3 OG: 77.7.678 P_2c4_2' OG-BNS transformation: (0,0,0;a,b,2c) Operators (BNS): (1|0,0,0) (4z|0,0,3/4) (4z-1|0,0,1/4) (2z|0,0,1/2) (1|0,0,1/2)' (4z|0,0,1/4)' (4z-1|0,0,3/4)' (2z|0,0,0)' Wyckoff positions (BNS): 8d (x,y,z;mx,my,mz) (-y,x,z+3/4;-my,mx,mz) (y,-x,z+1/4;my,-mx,mz) (-x,-y,z+1/2;-mx,-my,mz) (x,y,z+1/2;-mx,-my,-mz) (-y,x,z+1/4;my,-mx,-mz) (y,-x,z+3/4;-my,mx,-mz) (-x,-y,z;mx,my,-mz) 4c (0,1/2,z;mx,my,0) (1/2,0,z+3/4;-my,mx,0) (1/2,0,z+1/4;my,-mx,0) (0,1/2,z+1/2;-mx,-my,0) 4b (1/2,1/2,z;mx,my,0) (1/2,1/2,z+3/4;-my,mx,0) (1/2,1/2,z+1/4;my,-mx,0) (1/2,1/2,z+1/2;-mx,-my,0) 4a (0,0,z;mx,my,0) (0,0,z+3/4;-my,mx,0) (0,0,z+1/4;my,-mx,0) (0,0,z+1/2;-mx,-my,0) Operators (OG): (1|0,0,0) (4z|0,0,3/2) (4z-1|0,0,1/2) (2z|0,0,1) (1|0,0,1)' (4z|0,0,1/2)' (4z-1|0,0,3/2)' (2z|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 8d (x,y,z;mx,my,mz) (-y,x,z+3/2;-my,mx,mz) (y,-x,z+1/2;my,-mx,mz) (-x,-y,z+1;-mx,-my,mz) (x,y,z+1;-mx,-my,-mz) (-y,x,z+1/2;my,-mx,-mz) (y,-x,z+3/2;-my,mx,-mz) (-x,-y,z;mx,my,-mz) 4c (0,1/2,z;mx,my,0) (-1/2,0,z+3/2;-my,mx,0) (1/2,0,z+1/2;my,-mx,0) (0,-1/2,z+1;-mx,-my,0) 4b (1/2,1/2,z;mx,my,0) (-1/2,1/2,z+3/2;-my,mx,0) (1/2,-1/2,z+1/2;my,-mx,0) (-1/2,-1/2,z+1;-mx,-my,0) 4a (0,0,z;mx,my,0) (0,0,z+3/2;-my,mx,0) (0,0,z+1/2;my,-mx,0) (0,0,z+1;-mx,-my,0) ---------- UNI: 78.23 P4_3.1'_C[rP4_3] BNS: 78.23 P_C4_3 OG: 78.4.682 P_P4_3 OG-BNS transformation: (0,0,0;a-b,a+b,c) Operators (BNS): (1|0,0,0) (4z|0,0,3/4) (4z-1|0,0,1/4) (2z|0,0,1/2) (1|1/2,1/2,0)' (4z|1/2,1/2,3/4)' (4z-1|1/2,1/2,1/4)' (2z|1/2,1/2,1/2)' Wyckoff positions (BNS): 8a (x,y,z;mx,my,mz) (-y,x,z+3/4;-my,mx,mz) (y,-x,z+1/4;my,-mx,mz) (-x,-y,z+1/2;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-y+1/2,x+1/2,z+3/4;my,-mx,-mz) (y+1/2,-x+1/2,z+1/4;-my,mx,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) Operators (OG): (1|0,0,0) (4z|0,0,3/4) (4z-1|0,0,1/4) (2z|0,0,1/2) (1|1,0,0)' (4z|1,0,3/4)' (4z-1|1,0,1/4)' (2z|1,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ 8a (x,y,z;mx,my,mz) (-y,x,z+3/4;-my,mx,mz) (y,-x,z+1/4;my,-mx,mz) (-x,-y,z+1/2;-mx,-my,mz) (x+1,y,z;-mx,-my,-mz) (-y+1,x,z+3/4;my,-mx,-mz) (y+1,-x,z+1/4;-my,mx,-mz) (-x+1,-y,z+1/2;mx,my,-mz) ---------- UNI: 78.24 P4_3.1'_I[I4_1] BNS: 78.24 P_I4_3 OG: 80.5.692 I_P4_1' OG-BNS transformation: (1/4,1/4,0;a,b,c) Operators (BNS): (1|0,0,0) (4z|0,0,3/4) (4z-1|0,0,1/4) (2z|0,0,1/2) (1|1/2,1/2,1/2)' (4z|1/2,1/2,1/4)' (4z-1|1/2,1/2,3/4)' (2z|1/2,1/2,0)' Wyckoff positions (BNS): 8b (x,y,z;mx,my,mz) (-y,x,z+3/4;-my,mx,mz) (y,-x,z+1/4;my,-mx,mz) (-x,-y,z+1/2;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-y+1/2,x+1/2,z+1/4;my,-mx,-mz) (y+1/2,-x+1/2,z+3/4;-my,mx,-mz) (-x+1/2,-y+1/2,z;mx,my,-mz) 4a (3/4,3/4,z;mx,my,0) (1/4,3/4,z+3/4;-my,mx,0) (3/4,1/4,z+1/4;my,-mx,0) (1/4,1/4,z+1/2;-mx,-my,0) Operators (OG): (1|0,0,0) (4z|1/2,1,3/4) (4z-1|0,1/2,1/4) (2z|1/2,1/2,1/2) (1|1/2,1/2,1/2)' (4z|0,1/2,1/4)' (4z-1|1/2,1,3/4)' (2z|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8b (x,y,z;mx,my,mz) (-y+1/2,x+1,z+3/4;-my,mx,mz) (y,-x+1/2,z+1/4;my,-mx,mz) (-x+1/2,-y+1/2,z+1/2;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-y,x+1/2,z+1/4;my,-mx,-mz) (y+1/2,-x+1,z+3/4;-my,mx,-mz) (-x,-y,z;mx,my,-mz) 4a (0,0,z;mx,my,0) (1/2,1,z+3/4;-my,mx,0) (0,1/2,z+1/4;my,-mx,0) (1/2,1/2,z+1/2;-mx,-my,0) ---------- UNI: 79.25 I4.1 BNS: 79.25 I4 OG: 79.1.683 I4 Operators: (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2z|0,0,0) Wyckoff positions: (0,0,0)+ (1/2,1/2,1/2)+ 8c (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (-x,-y,z;-mx,-my,mz) 4b (0,1/2,z;0,0,mz) (1/2,0,z;0,0,mz) 2a (0,0,z;0,0,mz) ---------- UNI: 79.26 I4.1' BNS: 79.26 I41' OG: 79.2.684 I41' Operators: (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2z|0,0,0) (1|0,0,0)' (4z|0,0,0)' (4z-1|0,0,0)' (2z|0,0,0)' Wyckoff positions: (0,0,0)+ (1/2,1/2,1/2)+ 8c (x,y,z;0,0,0) (-y,x,z;0,0,0) (y,-x,z;0,0,0) (-x,-y,z;0,0,0) 4b (0,1/2,z;0,0,0) (1/2,0,z;0,0,0) 2a (0,0,z;0,0,0) ---------- UNI: 79.27 I4' BNS: 79.27 I4' OG: 79.3.685 I4' Operators: (1|0,0,0) (4z|0,0,0)' (4z-1|0,0,0)' (2z|0,0,0) Wyckoff positions: (0,0,0)+ (1/2,1/2,1/2)+ 8c (x,y,z;mx,my,mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (-x,-y,z;-mx,-my,mz) 4b (0,1/2,z;0,0,mz) (1/2,0,z;0,0,-mz) 2a (0,0,z;0,0,0) ---------- UNI: 79.28 I4.1'_c[rP4] BNS: 79.28 I_c4 OG: 75.6.666 P_I4 OG-BNS transformation: (0,0,0;a-b,a+b,2c) Operators (BNS): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2z|0,0,0) (1|0,0,1/2)' (4z|0,0,1/2)' (4z-1|0,0,1/2)' (2z|0,0,1/2)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,1/2)+ 16d (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (x,y,z+1/2;-mx,-my,-mz) (-y,x,z+1/2;my,-mx,-mz) (y,-x,z+1/2;-my,mx,-mz) (-x,-y,z+1/2;mx,my,-mz) 8c (3/4,1/4,z;mx,my,0) (3/4,3/4,z;-my,mx,0) (1/4,1/4,z;my,-mx,0) (1/4,3/4,z;-mx,-my,0) 4b (0,1/2,z;0,0,0) (1/2,0,z;0,0,0) 4a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) Operators (OG): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2z|0,0,0) (1|0,0,1)' (4z|0,0,1)' (4z-1|0,0,1)' (2z|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,2)+ (1,0,1)+ 16d (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (x,y,z+1;-mx,-my,-mz) (-y,x,z+1;my,-mx,-mz) (y,-x,z+1;-my,mx,-mz) (-x,-y,z+1;mx,my,-mz) 8c (0,1/2,z;mx,my,0) (-1/2,0,z;-my,mx,0) (1/2,0,z;my,-mx,0) (0,-1/2,z;-mx,-my,0) 4b (1/2,1/2,z;0,0,0) (-1/2,1/2,z;0,0,0) 4a (0,0,z;0,0,mz) (0,0,z+1;0,0,-mz) ---------- UNI: 80.29 I4_1.1 BNS: 80.29 I4_1 OG: 80.1.688 I4_1 Operators: (1|0,0,0) (4z|0,1/2,1/4) (4z-1|0,1/2,1/4) (2z|0,0,0) Wyckoff positions: (0,0,0)+ (1/2,1/2,1/2)+ 8b (x,y,z;mx,my,mz) (-y,x+1/2,z+1/4;-my,mx,mz) (y,-x+1/2,z+1/4;my,-mx,mz) (-x,-y,z;-mx,-my,mz) 4a (0,0,z;0,0,mz) (0,1/2,z+1/4;0,0,mz) ---------- UNI: 80.30 I4_1.1' BNS: 80.30 I4_11' OG: 80.2.689 I4_11' Operators: (1|0,0,0) (4z|0,1/2,1/4) (4z-1|0,1/2,1/4) (2z|0,0,0) (1|0,0,0)' (4z|0,1/2,1/4)' (4z-1|0,1/2,1/4)' (2z|0,0,0)' Wyckoff positions: (0,0,0)+ (1/2,1/2,1/2)+ 8b (x,y,z;0,0,0) (-y,x+1/2,z+1/4;0,0,0) (y,-x+1/2,z+1/4;0,0,0) (-x,-y,z;0,0,0) 4a (0,0,z;0,0,0) (0,1/2,z+1/4;0,0,0) ---------- UNI: 80.31 I4_1' BNS: 80.31 I4_1' OG: 80.3.690 I4_1' Operators: (1|0,0,0) (4z|0,1/2,1/4)' (4z-1|0,1/2,1/4)' (2z|0,0,0) Wyckoff positions: (0,0,0)+ (1/2,1/2,1/2)+ 8b (x,y,z;mx,my,mz) (-y,x+1/2,z+1/4;my,-mx,-mz) (y,-x+1/2,z+1/4;-my,mx,-mz) (-x,-y,z;-mx,-my,mz) 4a (0,0,z;0,0,mz) (0,1/2,z+1/4;0,0,-mz) ---------- UNI: 80.32 I4_1.1'_c[rP4_2] BNS: 80.32 I_c4_1 OG: 77.6.677 P_I4_2 OG-BNS transformation: (0,1/2,0;a-b,a+b,2c) Operators (BNS): (1|0,0,0) (4z|0,1/2,1/4) (4z-1|0,1/2,1/4) (2z|0,0,0) (1|0,0,1/2)' (4z|1/2,0,1/4)' (4z-1|1/2,0,1/4)' (2z|0,0,1/2)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,1/2)+ 16d (x,y,z;mx,my,mz) (-y,x+1/2,z+1/4;-my,mx,mz) (y,-x+1/2,z+1/4;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (x,y,z+1/2;-mx,-my,-mz) (-y+1/2,x,z+1/4;my,-mx,-mz) (y+1/2,-x,z+1/4;-my,mx,-mz) (-x,-y,z+1/2;mx,my,-mz) 8c (0,0,z;0,0,mz) (0,1/2,z+1/4;0,0,mz) (0,0,z+1/2;0,0,-mz) (1/2,0,z+1/4;0,0,-mz) 8b (1/4,1/4,z;mx,my,0) (3/4,3/4,z+1/4;-my,mx,0) (1/4,1/4,z+1/4;my,-mx,0) (3/4,3/4,z;-mx,-my,0) 8a (1/4,3/4,z;mx,my,0) (1/4,3/4,z+1/4;-my,mx,0) (3/4,1/4,z+1/4;my,-mx,0) (3/4,1/4,z;-mx,-my,0) Operators (OG): (1|0,0,0) (4z|0,0,1/2) (4z-1|0,0,3/2) (2z|0,0,1) (1|0,0,1)' (4z|0,0,3/2)' (4z-1|0,0,1/2)' (2z|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,2)+ (1,0,1)+ 16d (x,y,z;mx,my,mz) (-y,x,z+1/2;-my,mx,mz) (y,-x,z+3/2;my,-mx,mz) (-x,-y,z+1;-mx,-my,mz) (x,y,z+1;-mx,-my,-mz) (-y,x,z+3/2;my,-mx,-mz) (y,-x,z+1/2;-my,mx,-mz) (-x,-y,z;mx,my,-mz) 8c (0,1/2,z;0,0,mz) (-1/2,0,z+1/2;0,0,mz) (0,1/2,z+1;0,0,-mz) (-1/2,0,z+3/2;0,0,-mz) 8b (1/2,1/2,z;mx,my,0) (-1/2,1/2,z+1/2;-my,mx,0) (1/2,-1/2,z+3/2;my,-mx,0) (-1/2,-1/2,z+1;-mx,-my,0) 8a (0,0,z;mx,my,0) (0,0,z+1/2;-my,mx,0) (0,0,z+3/2;my,-mx,0) (0,0,z+1;-mx,-my,0) ---------- UNI: 81.33 P-4.1 BNS: 81.33 P-4 OG: 81.1.693 P-4 Operators: (1|0,0,0) (2z|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) Wyckoff positions: 4h (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) 2g (0,1/2,z;0,0,mz) (1/2,0,-z;0,0,mz) 2f (1/2,1/2,z;0,0,mz) (1/2,1/2,-z;0,0,mz) 2e (0,0,z;0,0,mz) (0,0,-z;0,0,mz) 1d (1/2,1/2,1/2;0,0,mz) 1c (1/2,1/2,0;0,0,mz) 1b (0,0,1/2;0,0,mz) 1a (0,0,0;0,0,mz) ---------- UNI: 81.34 P-4.1' BNS: 81.34 P-41' OG: 81.2.694 P-41' Operators: (1|0,0,0) (2z|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (1|0,0,0)' (2z|0,0,0)' (-4z|0,0,0)' (-4z-1|0,0,0)' Wyckoff positions: 4h (x,y,z;0,0,0) (-x,-y,z;0,0,0) (y,-x,-z;0,0,0) (-y,x,-z;0,0,0) 2g (0,1/2,z;0,0,0) (1/2,0,-z;0,0,0) 2f (1/2,1/2,z;0,0,0) (1/2,1/2,-z;0,0,0) 2e (0,0,z;0,0,0) (0,0,-z;0,0,0) 1d (1/2,1/2,1/2;0,0,0) 1c (1/2,1/2,0;0,0,0) 1b (0,0,1/2;0,0,0) 1a (0,0,0;0,0,0) ---------- UNI: 81.35 P-4' BNS: 81.35 P-4' OG: 81.3.695 P-4' Operators: (1|0,0,0) (2z|0,0,0) (-4z|0,0,0)' (-4z-1|0,0,0)' Wyckoff positions: 4h (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) 2g (0,1/2,z;0,0,mz) (1/2,0,-z;0,0,-mz) 2f (1/2,1/2,z;0,0,mz) (1/2,1/2,-z;0,0,-mz) 2e (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) 1d (1/2,1/2,1/2;0,0,0) 1c (1/2,1/2,0;0,0,0) 1b (0,0,1/2;0,0,0) 1a (0,0,0;0,0,0) ---------- UNI: 81.36 P-4.1'_c[P-4] BNS: 81.36 P_c-4 OG: 81.4.696 P_2c-4 OG-BNS transformation: (0,0,0;a,b,2c) Operators (BNS): (1|0,0,0) (2z|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (1|0,0,1/2)' (2z|0,0,1/2)' (-4z|0,0,1/2)' (-4z-1|0,0,1/2)' Wyckoff positions (BNS): 8h (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (x,y,z+1/2;-mx,-my,-mz) (-x,-y,z+1/2;mx,my,-mz) (y,-x,-z+1/2;my,-mx,-mz) (-y,x,-z+1/2;-my,mx,-mz) 4g (0,1/2,z;0,0,mz) (1/2,0,-z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) (1/2,0,-z+1/2;0,0,-mz) 4f (1/2,1/2,z;0,0,mz) (1/2,1/2,-z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) (1/2,1/2,-z+1/2;0,0,-mz) 4e (0,0,z;0,0,mz) (0,0,-z;0,0,mz) (0,0,z+1/2;0,0,-mz) (0,0,-z+1/2;0,0,-mz) 2d (1/2,1/2,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) 2c (1/2,1/2,0;0,0,mz) (1/2,1/2,1/2;0,0,-mz) 2b (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 2a (0,0,0;0,0,mz) (0,0,1/2;0,0,-mz) Operators (OG): (1|0,0,0) (2z|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (1|0,0,1)' (2z|0,0,1)' (-4z|0,0,1)' (-4z-1|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 8h (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (x,y,z+1;-mx,-my,-mz) (-x,-y,z+1;mx,my,-mz) (y,-x,-z+1;my,-mx,-mz) (-y,x,-z+1;-my,mx,-mz) 4g (0,1/2,z;0,0,mz) (1/2,0,-z;0,0,mz) (0,1/2,z+1;0,0,-mz) (1/2,0,-z+1;0,0,-mz) 4f (1/2,1/2,z;0,0,mz) (1/2,-1/2,-z;0,0,mz) (1/2,1/2,z+1;0,0,-mz) (1/2,-1/2,-z+1;0,0,-mz) 4e (0,0,z;0,0,mz) (0,0,-z;0,0,mz) (0,0,z+1;0,0,-mz) (0,0,-z+1;0,0,-mz) 2d (1/2,1/2,1/2;0,0,0) (1/2,-1/2,-1/2;0,0,0) 2c (1/2,1/2,0;0,0,mz) (1/2,1/2,1;0,0,-mz) 2b (0,0,1/2;0,0,0) (0,0,-1/2;0,0,0) 2a (0,0,0;0,0,mz) (0,0,1;0,0,-mz) ---------- UNI: 81.37 P-4.1'_C[rP-4] BNS: 81.37 P_C-4 OG: 81.5.697 P_P-4 OG-BNS transformation: (0,0,0;a-b,a+b,c) Operators (BNS): (1|0,0,0) (2z|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (1|1/2,1/2,0)' (2z|1/2,1/2,0)' (-4z|1/2,1/2,0)' (-4z-1|1/2,1/2,0)' Wyckoff positions (BNS): 8h (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (y+1/2,-x+1/2,-z;my,-mx,-mz) (-y+1/2,x+1/2,-z;-my,mx,-mz) 4g (3/4,1/4,z;mx,my,0) (1/4,3/4,z;-mx,-my,0) (1/4,1/4,-z;-my,mx,0) (3/4,3/4,-z;my,-mx,0) 4f (0,1/2,z;0,0,mz) (1/2,0,-z;0,0,mz) (1/2,0,z;0,0,-mz) (0,1/2,-z;0,0,-mz) 4e (0,0,z;0,0,mz) (0,0,-z;0,0,mz) (1/2,1/2,z;0,0,-mz) (1/2,1/2,-z;0,0,-mz) 2d (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) 2c (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) 2b (0,0,1/2;0,0,mz) (1/2,1/2,1/2;0,0,-mz) 2a (0,0,0;0,0,mz) (1/2,1/2,0;0,0,-mz) Operators (OG): (1|0,0,0) (2z|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (1|1,0,0)' (2z|1,0,0)' (-4z|1,0,0)' (-4z-1|1,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ 8h (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (x+1,y,z;-mx,-my,-mz) (-x+1,-y,z;mx,my,-mz) (y+1,-x,-z;my,-mx,-mz) (-y+1,x,-z;-my,mx,-mz) 4g (0,1/2,z;mx,my,0) (0,-1/2,z;-mx,-my,0) (1/2,0,-z;-my,mx,0) (-1/2,0,-z;my,-mx,0) 4f (1/2,1/2,z;0,0,mz) (1/2,-1/2,-z;0,0,mz) (3/2,1/2,z;0,0,-mz) (3/2,-1/2,-z;0,0,-mz) 4e (0,0,z;0,0,mz) (0,0,-z;0,0,mz) (1,0,z;0,0,-mz) (1,0,-z;0,0,-mz) 2d (1/2,1/2,1/2;0,0,0) (1/2,-1/2,-1/2;0,0,0) 2c (1/2,1/2,0;0,0,0) (1/2,-1/2,0;0,0,0) 2b (0,0,1/2;0,0,mz) (1,0,1/2;0,0,-mz) 2a (0,0,0;0,0,mz) (1,0,0;0,0,-mz) ---------- UNI: 81.38 P-4.1'_I[I-4] BNS: 81.38 P_I-4 OG: 82.4.702 I_P-4 OG-BNS transformation: (0,0,0;a,b,c) Operators (BNS): (1|0,0,0) (2z|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (1|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (-4z|1/2,1/2,1/2)' (-4z-1|1/2,1/2,1/2)' Wyckoff positions (BNS): 8g (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (y+1/2,-x+1/2,-z+1/2;my,-mx,-mz) (-y+1/2,x+1/2,-z+1/2;-my,mx,-mz) 4f (0,1/2,z;0,0,mz) (1/2,0,-z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) (0,1/2,-z+1/2;0,0,-mz) 4e (0,0,z;0,0,mz) (0,0,-z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) (1/2,1/2,-z+1/2;0,0,-mz) 2d (0,1/2,3/4;0,0,0) (1/2,0,1/4;0,0,0) 2c (0,1/2,1/4;0,0,0) (1/2,0,3/4;0,0,0) 2b (0,0,1/2;0,0,mz) (1/2,1/2,0;0,0,-mz) 2a (0,0,0;0,0,mz) (1/2,1/2,1/2;0,0,-mz) Operators (OG): (1|0,0,0) (2z|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (1|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (-4z|1/2,1/2,1/2)' (-4z-1|1/2,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8g (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (y+1/2,-x+1/2,-z+1/2;my,-mx,-mz) (-y+1/2,x+1/2,-z+1/2;-my,mx,-mz) 4f (0,1/2,z;0,0,mz) (1/2,0,-z;0,0,mz) (1/2,1,z+1/2;0,0,-mz) (1,1/2,-z+1/2;0,0,-mz) 4e (0,0,z;0,0,mz) (0,0,-z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) (1/2,1/2,-z+1/2;0,0,-mz) 2d (0,1/2,3/4;0,0,0) (1/2,0,-3/4;0,0,0) 2c (0,1/2,1/4;0,0,0) (1/2,0,-1/4;0,0,0) 2b (0,0,1/2;0,0,mz) (1/2,1/2,1;0,0,-mz) 2a (0,0,0;0,0,mz) (1/2,1/2,1/2;0,0,-mz) ---------- UNI: 82.39 I-4.1 BNS: 82.39 I-4 OG: 82.1.699 I-4 Operators: (1|0,0,0) (2z|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) Wyckoff positions: (0,0,0)+ (1/2,1/2,1/2)+ 8g (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) 4f (0,1/2,z;0,0,mz) (1/2,0,-z;0,0,mz) 4e (0,0,z;0,0,mz) (0,0,-z;0,0,mz) 2d (0,1/2,3/4;0,0,mz) 2c (0,1/2,1/4;0,0,mz) 2b (0,0,1/2;0,0,mz) 2a (0,0,0;0,0,mz) ---------- UNI: 82.40 I-4.1' BNS: 82.40 I-41' OG: 82.2.700 I-41' Operators: (1|0,0,0) (2z|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (1|0,0,0)' (2z|0,0,0)' (-4z|0,0,0)' (-4z-1|0,0,0)' Wyckoff positions: (0,0,0)+ (1/2,1/2,1/2)+ 8g (x,y,z;0,0,0) (-x,-y,z;0,0,0) (y,-x,-z;0,0,0) (-y,x,-z;0,0,0) 4f (0,1/2,z;0,0,0) (1/2,0,-z;0,0,0) 4e (0,0,z;0,0,0) (0,0,-z;0,0,0) 2d (0,1/2,3/4;0,0,0) 2c (0,1/2,1/4;0,0,0) 2b (0,0,1/2;0,0,0) 2a (0,0,0;0,0,0) ---------- UNI: 82.41 I-4' BNS: 82.41 I-4' OG: 82.3.701 I-4' Operators: (1|0,0,0) (2z|0,0,0) (-4z|0,0,0)' (-4z-1|0,0,0)' Wyckoff positions: (0,0,0)+ (1/2,1/2,1/2)+ 8g (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) 4f (0,1/2,z;0,0,mz) (1/2,0,-z;0,0,-mz) 4e (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) 2d (0,1/2,3/4;0,0,0) 2c (0,1/2,1/4;0,0,0) 2b (0,0,1/2;0,0,0) 2a (0,0,0;0,0,0) ---------- UNI: 82.42 I-4.1'_c[rP-4] BNS: 82.42 I_c-4 OG: 81.6.698 P_I-4 OG-BNS transformation: (0,0,0;a-b,a+b,2c) Operators (BNS): (1|0,0,0) (2z|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (1|0,0,1/2)' (2z|0,0,1/2)' (-4z|0,0,1/2)' (-4z-1|0,0,1/2)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,1/2)+ 16h (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (x,y,z+1/2;-mx,-my,-mz) (-x,-y,z+1/2;mx,my,-mz) (y,-x,-z+1/2;my,-mx,-mz) (-y,x,-z+1/2;-my,mx,-mz) 8g (3/4,1/4,z;mx,my,0) (1/4,3/4,z;-mx,-my,0) (1/4,1/4,-z;-my,mx,0) (3/4,3/4,-z;my,-mx,0) 8f (0,1/2,z;0,0,mz) (1/2,0,-z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) (1/2,0,-z+1/2;0,0,-mz) 8e (0,0,z;0,0,mz) (0,0,-z;0,0,mz) (0,0,z+1/2;0,0,-mz) (0,0,-z+1/2;0,0,-mz) 4d (0,1/2,1/4;0,0,mz) (0,1/2,3/4;0,0,-mz) 4c (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) 4b (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 4a (0,0,0;0,0,mz) (0,0,1/2;0,0,-mz) Operators (OG): (1|0,0,0) (2z|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (1|0,0,1)' (2z|0,0,1)' (-4z|0,0,1)' (-4z-1|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,2)+ (1,0,1)+ 16h (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (x,y,z+1;-mx,-my,-mz) (-x,-y,z+1;mx,my,-mz) (y,-x,-z+1;my,-mx,-mz) (-y,x,-z+1;-my,mx,-mz) 8g (0,1/2,z;mx,my,0) (0,-1/2,z;-mx,-my,0) (1/2,0,-z;-my,mx,0) (-1/2,0,-z;my,-mx,0) 8f (1/2,1/2,z;0,0,mz) (1/2,-1/2,-z;0,0,mz) (1/2,1/2,z+1;0,0,-mz) (1/2,-1/2,-z+1;0,0,-mz) 8e (0,0,z;0,0,mz) (0,0,-z;0,0,mz) (0,0,z+1;0,0,-mz) (0,0,-z+1;0,0,-mz) 4d (1/2,1/2,1/2;0,0,mz) (1/2,1/2,3/2;0,0,-mz) 4c (1/2,1/2,0;0,0,0) (1/2,-1/2,0;0,0,0) 4b (0,0,1/2;0,0,0) (0,0,-1/2;0,0,0) 4a (0,0,0;0,0,mz) (0,0,1;0,0,-mz) ---------- UNI: 83.43 P4/m.1 BNS: 83.43 P4/m OG: 83.1.703 P4/m Operators: (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2z|0,0,0) (-1|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mz|0,0,0) Wyckoff positions: 8l (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (x,y,-z;-mx,-my,mz) 4k (x,y,1/2;0,0,mz) (-y,x,1/2;0,0,mz) (y,-x,1/2;0,0,mz) (-x,-y,1/2;0,0,mz) 4j (x,y,0;0,0,mz) (-y,x,0;0,0,mz) (y,-x,0;0,0,mz) (-x,-y,0;0,0,mz) 4i (0,1/2,z;0,0,mz) (1/2,0,z;0,0,mz) (0,1/2,-z;0,0,mz) (1/2,0,-z;0,0,mz) 2h (1/2,1/2,z;0,0,mz) (1/2,1/2,-z;0,0,mz) 2g (0,0,z;0,0,mz) (0,0,-z;0,0,mz) 2f (0,1/2,1/2;0,0,mz) (1/2,0,1/2;0,0,mz) 2e (0,1/2,0;0,0,mz) (1/2,0,0;0,0,mz) 1d (1/2,1/2,1/2;0,0,mz) 1c (1/2,1/2,0;0,0,mz) 1b (0,0,1/2;0,0,mz) 1a (0,0,0;0,0,mz) ---------- UNI: 83.44 P4/m.1' BNS: 83.44 P4/m1' OG: 83.2.704 P4/m1' Operators: (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2z|0,0,0) (-1|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mz|0,0,0) (1|0,0,0)' (4z|0,0,0)' (4z-1|0,0,0)' (2z|0,0,0)' (-1|0,0,0)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mz|0,0,0)' Wyckoff positions: 8l (x,y,z;0,0,0) (-y,x,z;0,0,0) (y,-x,z;0,0,0) (-x,-y,z;0,0,0) (-x,-y,-z;0,0,0) (y,-x,-z;0,0,0) (-y,x,-z;0,0,0) (x,y,-z;0,0,0) 4k (x,y,1/2;0,0,0) (-y,x,1/2;0,0,0) (y,-x,1/2;0,0,0) (-x,-y,1/2;0,0,0) 4j (x,y,0;0,0,0) (-y,x,0;0,0,0) (y,-x,0;0,0,0) (-x,-y,0;0,0,0) 4i (0,1/2,z;0,0,0) (1/2,0,z;0,0,0) (0,1/2,-z;0,0,0) (1/2,0,-z;0,0,0) 2h (1/2,1/2,z;0,0,0) (1/2,1/2,-z;0,0,0) 2g (0,