Chalcopyrite 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