Crystallography Open Database

Information card for entry 4510525

Preview

Coordinates	4510525.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cs2 Mo3 O12 Th
Calculated formula	Cs2 Mo3 O12 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	5.2569 ± 0.0003 Å
b	9.7336 ± 0.0008 Å
c	26.8467 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	1373.71 ± 0.16 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	58
Hermann-Mauguin space group symbol	P n n m
Hall space group symbol	-P 2 2n
Residual factor for all reflections	0.0949
Residual factor for significantly intense reflections	0.0536
Weighted residual factors for significantly intense reflections	0.1072
Weighted residual factors for all reflections included in the refinement	0.1298
Goodness-of-fit parameter for all reflections included in the refinement	1.104
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.	4510525.cif
115638	2014-06-05	cif/ Updating files of 4510525, 4510526, 4510527 Original log message: Adding full bibliography for 4510525--4510527.cif.	4510525.cif
111729	2014-04-27	cif/ Adding structures of 4510525 via cif-deposit CGI script.	4510525.cif