Crystallography Open Database

Information card for entry 4322279

Preview

Coordinates	4322279.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cu2 K1.8 Mo9 S11
Calculated formula	Cu2.04 K1.777 Mo9 S11
Title of publication	Synthesis, Structural Evolution, and Theoretical and Physical Studies of the Novel Compounds M2Mo9S11 (M = K, Rb) and Related Metastable Materials CuxK1.8Mo9S11 (x = 0 or 2) Containing Bioctahedral Mo9 Clusters
Authors of publication	Soazig Picard; Patrick Gougeon; Michel Potel
Journal of publication	Inorganic Chemistry
Year of publication	1999
Journal volume	38
Pages of publication	4422 - 4429
a	9.4215 ± 0.0004 Å
b	9.4215 ± 0.0004 Å
c	35.444 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	2724.7 ± 0.2 Å³
Cell temperature	293 K
Number of distinct elements	4
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.0453
Residual factor for significantly intense reflections	0.0238
Weighted residual factors for all reflections	0.0222
Weighted residual factors for significantly intense reflections	0.0213
Goodness-of-fit parameter for all reflections	1.42
Goodness-of-fit parameter for significantly intense reflections	1.56
Diffraction radiation probe	x-ray
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4322279.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4322279.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4322279.cif
20550	2011-06-11	../uploads/cif-deposit/cod/cif Adding structures of 4322279 via cif-deposit CGI script.	4322279.cif