Ag8GeTe6
Geller S
Zeitschrift fur Kristallographie 149 (1979) 31-47
The crystal structure of gamma Ag8GeTe6, a potential mixed electronic-
ionic conductor
Note: model with Ag distributed only over tetrahedral sites, R = 9.7%
_database_code_amcsd 0010802
11.58 11.58 11.58 90 90 90 F-43m
atom     x     y     z  occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ag1   .920  .920  .243 .459  .0136  .0136  .0209 -.0009 -.0068 -.0068
Ag2   .285  .285  .034 .112  .0105  .0105  .0030  .0055 -.0009 -.0009
Ag3   .383  .383  .383 .173  .0114  .0114  .0114 -.0002 -.0002 -.0002
Ag5     .5    .5    .5 .468  .0173  .0173  .0173      0      0      0
Ge     .75   .75   .75       .0033  .0033  .0033      0      0      0
Te1  .6240 .6240 .6240       .0047  .0047  .0047 -.0007 -.0007 -.0007
Te2      0     0     0       .0124  .0124  .0124      0      0      0
Te3    .25   .25   .25       .0104  .0104  .0104      0      0      0