Crystallography Open Database

Information card for entry 8102991

Preview

Coordinates	8102991.cif

Structure parameters

Formula	H Li2 O8 P2 Sc
Calculated formula	Li2 O8 P2 Sc
Title of publication	Crystal structure of dilithium scandium (monophosphate-monohydrogenmonophosphate), Li2Sc[(PO4)(HPO4)]
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	319
a	4.8582 ± 0.0012 Å
b	8.1987 ± 0.0012 Å
c	7.6683 ± 0.0015 Å
α	90°
β	104.11 ± 0.0075°
γ	90°
Cell volume	296.22 ± 0.1 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/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.0388
Weighted residual factors for all reflections included in the refinement	0.088
Goodness-of-fit parameter for all reflections included in the refinement	1.07
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.	8102991.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102991.cif
13730	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102991 via cif-deposit CGI script.	8102991.cif