Crystallography Open Database

Information card for entry 4325941

Preview

Coordinates	4325941.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba3 Cu16.04 S4.45 Te7.05
Calculated formula	Ba3 Cu16.044 S4.46 Te7.0555
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	17.2364 ± 0.0004 Å
b	17.2364 ± 0.0004 Å
c	17.2364 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	5120.8 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0287
Residual factor for significantly intense reflections	0.0287
Weighted residual factors for significantly intense reflections	0.0544
Weighted residual factors for all reflections included in the refinement	0.0544
Goodness-of-fit parameter for all reflections included in the refinement	1.336
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4325941.html