American Mineralogist Crystal Structure Database

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Skutterudite
Download hom/skutterudite.pdf
Mandel N, Donohue J
Acta Crystallographica B27 (1971) 2288-2289
The refinement of the crystal structure of skutterudite, CoAs3
Locality: Bou-Azzer, Morocco
_database_code_amcsd 0009417
8.195 8.195 8.195 90 90 90 Im3
atom   x     y     z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Co   .25   .25   .25 .87  .0045  .0045  .0045  .0004  .0004  .0004
Fe   .25   .25   .25 .11  .0045  .0045  .0045  .0004  .0004  .0004
Ni   .25   .25   .25 .13  .0045  .0045  .0045  .0004  .0004  .0004
As     0 .3431 .1503      .0027  .0035  .0032      0      0  .0002
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