Crystallography Open Database

Information card for entry 4313666

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Coordinates	4313666.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	BaCuZn3As3
Formula	As3 Ba Cu0.96 Zn3.04
Calculated formula	As3 Ba Cu0.948 Zn3.052
Title of publication	NaCl/KCl Flux Single Crystal Growth and Crystal Structure of the New Quaternary Mixed-Metal Pnictide: BaCuZn3As3
Authors of publication	Tadashi C. Ozawa; Susan M. Kauzlarich
Journal of publication	Inorganic Chemistry
Year of publication	2003
Journal volume	42
Pages of publication	3183 - 3186
a	4.2277 ± 0.0003 Å
b	12.97 ± 0.0011 Å
c	12.0118 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	658.65 ± 0.09 Å³
Cell temperature	91 ± 2 K
Ambient diffraction temperature	91 ± 2 K
Number of distinct elements	4
Space group number	63
Hermann-Mauguin space group symbol	C m c m
Hall space group symbol	-C 2c 2
Residual factor for all reflections	0.0284
Residual factor for significantly intense reflections	0.0221
Weighted residual factors for significantly intense reflections	0.0477
Weighted residual factors for all reflections included in the refinement	0.0504
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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