Crystallography Open Database

Information card for entry 8102992

Preview

Coordinates	8102992.cif

Structure parameters

Formula	Cs H2 O8 P2 Sc
Calculated formula	Cs H2 O8 P2 Sc
Title of publication	Crystal structure of caesium scandium bis(monohydrogenmonophosphate), CsSc(HPO4)2
Authors of publication	Prashanth W. Menezes; Stefan Hoffmann; Yurii Prots; Rüdiger Kniep
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2008
Journal volume	223
Journal issue	4
Pages of publication	321
a	5.3639 ± 0.0004 Å
b	9.1604 ± 0.0006 Å
c	14.7052 ± 0.001 Å
α	90°
β	93.7278 ± 0.0044°
γ	90°
Cell volume	721.02 ± 0.09 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.0301
Weighted residual factors for all reflections included in the refinement	0.0624
Goodness-of-fit parameter for all reflections included in the refinement	1.111
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
176466 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8102992.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102992.cif
13731	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102992 via cif-deposit CGI script.	8102992.cif