Crystallography Open Database

Information card for entry 4001420

Preview

Coordinates	4001420.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Chevrel phase
Chemical name	zinc dihydroxide divanadate dihydrate
Formula	Cu3.37 Mg0.25 Mo18 S24
Calculated formula	Cu3.366 Mg0.252 Mo18 S24
Title of publication	Structural Mechanism of the Phase Transitions in the Mg−Cu−Mo6S8System Probed by ex Situ Synchrotron X-ray Diffraction
Authors of publication	Levi, E.; Mitelman, A.; Aurbach, D.; Brunelli, M.
Journal of publication	Chemistry of Materials
Year of publication	2007
Journal volume	19
Journal issue	21
Pages of publication	5131
a	9.47 ± 0.002 Å
b	9.47 ± 0.002 Å
c	10.377 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	805.9 ± 0.3 Å³
Cell temperature	300 K
Ambient diffraction temperature	300 K
Number of distinct elements	4
Space group number	148
Hermann-Mauguin space group symbol	R -3
Hall space group symbol	-R 3
Residual factor R(I) for significantly intense reflections	5.397
Goodness-of-fit parameter for all reflections	1.738
Method of determination	powder diffraction
Diffraction radiation wavelength	0.35008 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178377 (current)	2016-03-21	cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00.	4001420.cif
120073	2014-07-11	Adding DOIs to range 4/00 structures.	4001420.cif
45248	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 4001418, 4001419, 4001420, 4001421, 4001422, 4001423, 4001424, 4001425, 4001426, 4001427, 4001428 via cif-deposit CGI script.	4001420.cif