Crystallography Open Database

Information card for entry 2105489

Preview

Coordinates	2105489.cif
Original IUCr paper	HTML

Structure parameters

Common name	tetralithium hypodiphosphate hexahydrate
Formula	H12 Li4 O12 P2
Calculated formula	H12 Li4 O12 P2
SMILES	P(=O)(P(=O)([O-])[O-])([O-])[O-].O.O.O.O.O.O.[Li+].[Li+].[Li+].[Li+]
Title of publication	Electron density distribution in tetralithium hypodiphosphate hexahydrate, Li~4~P~2~O~6~·6H~2~O
Authors of publication	Kinzhybalo, Vasyl; Mermer, Adrian; Lis, Tadeusz; Starynowicz, Przemysław
Journal of publication	Acta Crystallographica Section B
Year of publication	2013
Journal volume	69
Journal issue	4
Pages of publication	344 - 355
a	12.7 ± 0.003 Å
b	12.7 ± 0.003 Å
c	12.7 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2048.4 ± 0.8 Å³
Cell temperature	85 ± 2 K
Ambient diffraction temperature	85 ± 2 K
Number of distinct elements	4
Space group number	206
Hermann-Mauguin space group symbol	I a -3
Hall space group symbol	-I 2b 2c 3
Residual factor for all reflections	0.019
Residual factor for significantly intense reflections	0.014
Weighted residual factors for all reflections included in the refinement	0.013
Goodness-of-fit parameter for all reflections included in the refinement	1.723
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176768 (current)	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/10.	2105489.cif
88255	2013-09-04	cif/ Adding structures of 2105489 via cif-deposit CGI script.	2105489.cif