Crystallography Open Database

Information card for entry 4329333

Preview

Coordinates	4329333.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cu12 K6 S15 U2
Calculated formula	Cu12 K6 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	18.6208 ± 0.0007 Å
b	18.6208 ± 0.0007 Å
c	18.6208 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	6456.5 ± 0.4 Å³
Cell temperature	300 ± 0.3 K
Ambient diffraction temperature	300 ± 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	0.0481
Residual factor for significantly intense reflections	0.0481
Weighted residual factors for significantly intense reflections	0.1362
Weighted residual factors for all reflections included in the refinement	0.1363
Goodness-of-fit parameter for all reflections included in the refinement	1.248
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.	4329333.cif
78382	2013-04-02	cif/ Adding structures of 4329333 via cif-deposit CGI script.	4329333.cif