American Mineralogist Crystal Structure Database

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Bornite
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Ding Y, Veblen D R, Prewitt C T
American Mineralogist 90 (2005) 1265-1269
Possible Fe/Cu ordering schemes in the 2a superstructure of bornite (Cu5FeS4)
Sample: 2a CuFe(anti) superstructure model, alternative 2
Note: Energetically preferred model
_database_code_amcsd 0003825
10.71 10.71 10.71 90 90 90 F-43m
atom    x    y    z
Cu   .125 .125 .125
Cu   .625 .125 .125
Fe   .875 .125 .125
S       0    0    0
S      .5    0    0
S     .25  .25    0
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