Crystallography Open Database

Information card for entry 4303040

Preview

Coordinates	4303040.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cs1.15 Mo12 S14
Calculated formula	Cs1.1478 Mo12 S14
Title of publication	Synthesis, Electronic and Crystal Structures, and Physical Studies of the Superconductor Cs~1Mo12S14, Final Step of the Condensation of the Mo6L8iL6a Unit
Authors of publication	Patrick Gougeon; Diala Salloum; Jérôme Cuny; Laurent Le Pollès; Marie Le Floch; Régis Gautier; Michel Potel
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	8337 - 8341
a	9.9793 ± 0.0002 Å
b	9.9793 ± 0.0002 Å
c	6.373 ± 0.0002 Å
α	90°
β	90°
γ	120°
Cell volume	549.64 ± 0.02 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	163
Hermann-Mauguin space group symbol	P -3 1 c
Hall space group symbol	-P 3 2c
Residual factor for all reflections	0.0203
Residual factor for significantly intense reflections	0.0163
Weighted residual factors for significantly intense reflections	0.0315
Weighted residual factors for all reflections included in the refinement	0.0323
Goodness-of-fit parameter for all reflections included in the refinement	1.187
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179068 (current)	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/30.	4303040.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4303040.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4303040.cif
1125	2010-04-25	cif/4/ Adding CIFs for the Inorg-Chem-2009_11-24 deposition.	4303040.cif