Crystallography Open Database

Information card for entry 4329331

Preview

Coordinates	4329331.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cs6 Cu12 S15 U2
Calculated formula	Cs6 Cu12 S15 U2
Title of publication	Oxidation State of Uranium in A6Cu12U2S15 (A = K, Rb, Cs) Compounds
Authors of publication	Christos D. Malliakas; Jiyong Yao; Daniel M. Wells; Geng Bang Jin; S. Skanthakumar; Eun Sang Choi; Mahalingam Balasubramanian; L. Soderholm; Donald E. Ellis; Mercouri G. Kanatzidis; James A. Ibers
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	6153 - 6163
a	19.0217 ± 0.0006 Å
b	19.0217 ± 0.0006 Å
c	19.0217 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	6882.5 ± 0.4 Å³
Cell temperature	100 ± 0.3 K
Ambient diffraction temperature	100 ± 0.3 K
Number of distinct elements	4
Space group number	230
Hermann-Mauguin space group symbol	I a -3 d
Hall space group symbol	-I 4bd 2c 3
Residual factor for all reflections	0.0364
Residual factor for significantly intense reflections	0.0362
Weighted residual factors for significantly intense reflections	0.065
Weighted residual factors for all reflections included in the refinement	0.0651
Goodness-of-fit parameter for all reflections included in the refinement	1.66
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179396 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/93.	4329331.cif
78380	2013-04-02	cif/ Adding structures of 4329331 via cif-deposit CGI script.	4329331.cif