Crystallography Open Database

Information card for entry 4335243

Preview

Coordinates	4335243.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	sodium_barium_copper(I)_sulfide
Formula	Ba2 Cu3 Na S5
Calculated formula	Ba2 Cu3 Na S5
Title of publication	NaBa2Cu3S5: A Doped p-Type Degenerate Semiconductor
Authors of publication	Mihai Sturza; Fei Han; Daniel P. Shoemaker; Christos D. Malliakas; Duck Young Chung; Hosub Jin; Arthur J. Freeman; Mercouri G. Kanatzidis
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	7210 - 7217
a	16.4865 ± 0.0011 Å
b	5.5188 ± 0.0003 Å
c	10.33 ± 0.0007 Å
α	90°
β	98.534 ± 0.005°
γ	90°
Cell volume	929.48 ± 0.1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0343
Residual factor for significantly intense reflections	0.0305
Weighted residual factors for significantly intense reflections	0.0768
Weighted residual factors for all reflections included in the refinement	0.0786
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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