Pearceite
Bindi L, Evain M, Menchetti S
Acta Crystallographica B62 (2006) 212-219
Temperature dependence of the silver distribution in the
crystal structure of natural pearceite, (Ag,Cu)16(As,Sb)2S11
Sample: T = 300 K
Locality: Clara mine, Black Forest, Germany
_database_code_amcsd 0009935
7.3876 7.3876 11.8882 90 90 120 P-3m1
atom      x      y      z  occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
As      1/3    2/3 .40748 .590 .02317  .0242  .0242  .0211 .01210      0      0
Sb      1/3    2/3 .40748 .410 .02317  .0242  .0242  .0211 .01210      0      0
Ag1   .3009 .15043 .38526 .672  .0528  .0676  .0404  .0596  .0338 -.0021 -.0011
Cu1   .3009 .15043 .38526 .328  .0528  .0676  .0404  .0596  .0338 -.0021 -.0011
Ag2   .3566   .240  .1233 .366   .345  .0388    .62  .0447  -.082  .0064  -.018
Ag3   .2921  .3808  .1174 .384   .119   .194   .110  .0490   .072 -.0287  .0002
Cu2       0      0      0       .0282  .0350  .0350  .0148  .0175      0      0
S1        0      0 .18164       .0267  .0324  .0324  .0154  .0162      0      0
S2   .01656 .50828 .31324       .0269  .0219  .0251  .0325  .0109  .0009 .00045
S3      2/3    1/3  .0174       .0428  .0437  .0437  .0411  .0219      0      0
S4        0      0     .5        .114   .157   .157   .028  .0787      0      0