Crystallography Open Database

Information card for entry 4325940

Preview

Coordinates	4325940.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba3 Cu15.61 S5.32 Te6.18
Calculated formula	Ba3 Cu15.62 S5.315 Te6.1725
Title of publication	Crystal Structure and Physical Properties of the New Chalcogenides Ba3Cu17-x(S,Te)11 and Ba3Cu17-x(S,Te)11.5 with Two Different Cu Clusters
Authors of publication	Bryan A. Kuropatwa; Abdeljalil Assoud; Holger Kleinke
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	7831 - 7837
a	17.2095 ± 0.0008 Å
b	17.2095 ± 0.0008 Å
c	17.2095 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	5096.9 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	225
Hermann-Mauguin space group symbol	F m -3 m
Hall space group symbol	-F 4 2 3
Residual factor for all reflections	0.0277
Residual factor for significantly intense reflections	0.0272
Weighted residual factors for significantly intense reflections	0.0734
Weighted residual factors for all reflections included in the refinement	0.0737
Goodness-of-fit parameter for all reflections included in the refinement	1.159
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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