Crystallography Open Database

Information card for entry 4335244

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Coordinates	4335244.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	16.5363 ± 0.0017 Å
b	5.5374 ± 0.0005 Å
c	10.3717 ± 0.001 Å
α	90°
β	98.535 ± 0.008°
γ	90°
Cell volume	939.2 ± 0.16 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0377
Residual factor for significantly intense reflections	0.0336
Weighted residual factors for significantly intense reflections	0.0837
Weighted residual factors for all reflections included in the refinement	0.0859
Goodness-of-fit parameter for all reflections included in the refinement	1.1
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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