American Mineralogist Crystal Structure Database

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Download hom/chalcopyrite.pdf
Burdick C, Ellis J
Journal of the American Chemical Society 39 (1917) 2519-2525
The Crystal Structure of Chalcopyrite Determined by X-Rays
_cod_database_code 1010929
_database_code_amcsd 0017651
5.228 5.228 5.228 90 90 90 F-43m
atom   x   y   z occ
Cu1    0   0   0  .5
Fe1    0   0   0  .5
S1   .25 .25 .25
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