Tennantite
Makovicky E, Karanovic L, Poleti D, Balic-Zunic T, Paar W H
The Canadian Mineralogist 43 (2005) 679-688
Crystal structure of copper-rich unsubstituted tennantite, Cu12.5As4S13
Sample: Cerro Atajo, Catamarco, Argentina
_database_code_amcsd 0006002
10.1756 10.1756 10.1756 90 90 90 I-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)
Cu1    .25    .5      0     .0238  .0309  .0202  .0202      0      0      0
Cu2A .2174     0      0 .75  .046  .0175   .060   .060      0      0  -.032
Cu2B  .075  .075 -.2139 .17  .050   .057   .057   .035   .025   .018   .018
As   .2586 .2586  .2586 .98 .0180  .0180  .0180  .0180 -.0002 -.0002 -.0002
Sb   .2586 .2586  .2586 .02 .0180  .0180  .0180  .0180 -.0002 -.0002 -.0002
S1   .1184 .1184  .3570     .0183  .0195  .0195  .0158 -.0001  .0019  .0019
S2       0     0      0      .020  .0205  .0205  .0205      0      0      0