beta-Cu7PSe6 Gaudin E, Boucher F, Petricek V, Taulelle F, Evain M Acta Crystallographica B56 (2000) 402-408 Structures and phase transitions of the A7PSe6 (A = Ag, Cu) argyrodite-type ionic conductors. II. beta- and gamma-Cu7PSe6 Note: T = 293 K _database_code_amcsd 0009919 10.1080 10.1080 10.1080 90 90 90 P2_13 atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) P .7485 .7485 .7485 .0103 .0103 .0103 .0103 -.0002 -.0002 -.0002 Se1a .87477 .87477 .87477 .0148 .0148 .0148 .0148 -.0026 -.0026 -.0026 Se1b .37079 .37645 .88083 .0134 .0132 .0145 .0124 -.0026 -.0018 -.0029 Se2 .23601 .23601 .23601 .0210 .0210 .021 .021 .0022 .0022 .0022 Se3 .49079 .49079 .49079 .0221 .0221 .0221 .0221 .0041 .0041 .0041 Cu1 .0720 -.0892 -.2696 .0463 .0316 .0495 .0579 .0003 .0025 -.0029 Cu2a .0024 .0034 .2795 .68 .059 .077 .080 .0213 .005 .010 .056 Cu2b .0636 .0578 .2639 .32 .032 .036 .032 .028 -.003 .004 .005 Cu3 .3608 .3608 .3608 .199 .199 .199 .199 -.088 -.088 -.088