Crystallography Open Database

Information card for entry 4510526

Preview

Coordinates	4510526.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cs4 Mo4 O16 Th
Calculated formula	Cs4 Mo4 O16 Th
Title of publication	Unexpected Structural Complexity in Cesium Thorium Molybdates
Authors of publication	Xiao, Bin; Dellen, Jakob; Schlenz, Hartmut; Bosbach, Dirk; Suleimanov, Evgeny V.; Alekseev, Evgeny V.
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	5
Pages of publication	2677
a	12.6902 ± 0.0006 Å
b	6.6202 ± 0.0003 Å
c	11.4593 ± 0.0007 Å
α	90°
β	90.146 ± 0.006°
γ	90°
Cell volume	962.71 ± 0.09 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0473
Residual factor for significantly intense reflections	0.0321
Weighted residual factors for significantly intense reflections	0.0627
Weighted residual factors for all reflections included in the refinement	0.0688
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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
179652 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/05.	4510526.cif
115638	2014-06-05	cif/ Updating files of 4510525, 4510526, 4510527 Original log message: Adding full bibliography for 4510525--4510527.cif.	4510526.cif
111730	2014-04-27	cif/ Adding structures of 4510526 via cif-deposit CGI script.	4510526.cif