gamma-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 = 353 K
_database_code_amcsd 0009920
10.1130 10.1130 10.1130 90 90 90 F-43m
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       .75    .75    .75       .0098  .0098  .0098  .0098       0       0       0
Se1  .87576 .87576 .87576      .01623 .01622 .01622 .01622 -.00362 -.00362 -.00362
Se2     .25    .25    .25       .0330  .0330   .033   .033       0       0       0
Se3      .5     .5     .5       .0273  .0273  .0273  .0273       0       0       0
Cu1   .0787  .0787  .2673 .314  .0511  .0479  .0479   .057  -.0008  -.0008    .004
Cu2    .016   .016  .2757 .179   .068    .09    .09   .030   -.019   -.019     .06
Cu3   .1286  .1286  .3714  .27   .243    .24    .24    .24   -.101   -.101   -.101