Crystallography Open Database

Information card for entry 4510527

Preview

Coordinates	4510527.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cs8 Mo28 O112 Th12
Calculated formula	Cs8 Mo28 O112 Th12
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	12.4439 ± 0.0005 Å
b	14.9301 ± 0.0008 Å
c	15.9617 ± 0.0009 Å
α	78.21 ± 0.005°
β	78.697 ± 0.004°
γ	77.997 ± 0.004°
Cell volume	2802.7 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0284
Residual factor for significantly intense reflections	0.0243
Weighted residual factors for significantly intense reflections	0.0458
Weighted residual factors for all reflections included in the refinement	0.0473
Goodness-of-fit parameter for all reflections included in the refinement	0.949
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.	4510527.cif
115638	2014-06-05	cif/ Updating files of 4510525, 4510526, 4510527 Original log message: Adding full bibliography for 4510525--4510527.cif.	4510527.cif
111731	2014-04-27	cif/ Adding structures of 4510527 via cif-deposit CGI script.	4510527.cif