Crystallography Open Database

Information card for entry 4325938

Preview

Coordinates	4325938.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba3 Cu15.09 S7.91 Te3.09
Calculated formula	Ba3 Cu15.085 S7.915 Te3.085
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	11.9371 ± 0.0003 Å
b	11.9371 ± 0.0003 Å
c	27.5221 ± 0.0017 Å
α	90°
β	90°
γ	120°
Cell volume	3396.3 ± 0.2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	166
Hermann-Mauguin space group symbol	R -3 m :H
Hall space group symbol	-R 3 2"
Residual factor for all reflections	0.0579
Residual factor for significantly intense reflections	0.0536
Weighted residual factors for significantly intense reflections	0.1027
Weighted residual factors for all reflections included in the refinement	0.1045
Goodness-of-fit parameter for all reflections included in the refinement	1.23
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/4325938.html