Crystallography Open Database

Information card for entry 4325079

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Coordinates	4325079.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba2 Cu5.53 S Te4
Calculated formula	Ba2 Cu5.528 S Te4
Title of publication	New Barium Copper Chalcogenides Synthesized Using Two Different Chalcogen Atoms: Ba2Cu6-xSTe4 and Ba2Cu6-xSeyTe5-y
Authors of publication	Oottil Mayasree; Cheriyedath Raj Sankar; Abdeljalil Assoud; Holger Kleinke
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	4580 - 4585
a	9.656 ± 0.0006 Å
b	14.0533 ± 0.0009 Å
c	4.3524 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	590.61 ± 0.07 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	55
Hermann-Mauguin space group symbol	P b a m
Hall space group symbol	-P 2 2ab
Residual factor for all reflections	0.0263
Residual factor for significantly intense reflections	0.0245
Weighted residual factors for significantly intense reflections	0.0583
Weighted residual factors for all reflections included in the refinement	0.0595
Goodness-of-fit parameter for all reflections included in the refinement	1.112
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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