Crystallography Open Database

Information card for entry 8103002

Preview

Coordinates	8103002.cif

Structure parameters

Formula	H2 O8 P2 Rb Sc
Calculated formula	O8 P2 Rb Sc
Title of publication	Crystal structures of rubidium scandium bis(hydrogenphosphate), RbSc(HPO4)2, and ammonium scandium bis(hydrogenphosphate), NH4Sc(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	2009
Journal volume	224
Journal issue	1
Pages of publication	21
a	5.3214 ± 0.0006 Å
b	8.9221 ± 0.0007 Å
c	14.7579 ± 0.0012 Å
α	90°
β	94.967 ± 0.005°
γ	90°
Cell volume	698.05 ± 0.11 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	0.0598
Weighted residual factors for all reflections included in the refinement	0.1802
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
176728 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8103002.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8103002.cif
13741	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8103002 via cif-deposit CGI script.	8103002.cif