Knight K S, Marshall W G, Zochowski S W
The Canadian Mineralogist 49 (2011) 1015-1034
The low-temperature and high-pressure thermoelastic and
structural properties of chalcopyrite, CuFeS2
T = 300 K
Locality: Palabora mine, South Africa
_database_code_amcsd 0018622
5.2900 5.2900 10.4217 90 90 90 I-42d
atom x y z Uiso
Cu 0 0 0 .0161
Fe 0 0 .5 .0097
S .2604 .25 .125 .0084
T = 4.2 K
_database_code_amcsd 0018623
5.28563 5.28563 10.41917 90 90 90 I-42d
Cu 0 0 0 .0048
Fe 0 0 .5 .0049
S .2529 .25 .125 .0053
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