Pyrite
Schmid-Beurmann P, Lottermoser W
Physics and Chemistry of Minerals 19 (1993) 571-577
57Fe-Moessbauer spectra, electronic and crystal structure of members of the CuS2-FeS2
solid solution series
_database_code_amcsd 0007752
5.7249 5.7249 5.7249 90 90 90 Pa3
atom     x     y     z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Fe       0     0     0 .75  .0077  .0077  .0077  -.004  -.004  -.004
Cu       0     0     0 .25  .0077  .0077  .0077  -.004  -.004  -.004
S    .3966 .3966 .3966      .0074  .0074  .0074 -.0012 -.0012 -.0012