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 0007753
5.5624 5.5624 5.5624 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 .40  .0063  .0063  .0063  -.003  -.003  -.003
Cu       0     0     0 .60  .0063  .0063  .0063  -.003  -.003  -.003
S    .3906 .3906 .3906      .0066  .0066  .0066 -.0014 -.0014 -.0014