Crystallography Open Database

Information card for entry 4322280

Preview

Coordinates	4322280.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	K2 Mo9 S11
Calculated formula	K1.776 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	9.2801 ± 0.0008 Å
b	9.2801 ± 0.0008 Å
c	35.833 ± 0.007 Å
α	90°
β	90°
γ	120°
Cell volume	2672.5 ± 0.6 Å³
Cell temperature	293 K
Number of distinct elements	3
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	0.0455
Residual factor for significantly intense reflections	0.0219
Weighted residual factors for all reflections	0.0223
Weighted residual factors for significantly intense reflections	0.0215
Goodness-of-fit parameter for all reflections	1.71
Goodness-of-fit parameter for significantly intense reflections	1.96
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
179325 (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 4/32/22.	4322280.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4322280.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4322280.cif
20551	2011-06-11	../uploads/cif-deposit/cod/cif Adding structures of 4322280 via cif-deposit CGI script.	4322280.cif