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
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	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 = 4.2 K
	Locality: Palabora mine, South Africa
	_database_code_amcsd 0018623
	5.28563 5.28563 10.41917 90 90 90 I-42d
	atom x y z Uiso
	Cu 0 0 0 .0048
	Fe 0 0 .5 .0049
	S .2529 .25 .125 .0053
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
	Chalcopyrite
	Hall S R, Stewart J M
	Acta Crystallographica B29 (1973) 579-585
	The crystal structure refinement of chalcopyrite, CuFeS2
	_database_code_amcsd 0009476
	5.289 5.289 10.423 90 90 90 I-42d
	atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Cu 0 0 0 .0184 .0184 .0197 0 0 0
	Fe 0 0 .5 .0117 .0117 .0118 0 0 0
	S .2574 .25 .125 .0113 .0132 .0136 0 0 .0014
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	Chalcopyrite
	Pauling L, Brockway L
	Zeitschrift fur Kristallographie 82 (1932) 188-194
	The Crystal Structure of Chalkopyrite Cu Fe S2
	_cod_database_code 1010940
	_database_code_amcsd 0017661
	5.24 5.24 10.3 90 90 90 I-42d
	atom x y z
	Cu1 0 0 0
	Fe1 0 0 .5
	S1 .27 .25 .125
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	Chalcopyrite
	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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