Crystallography Open Database

Information card for entry 7009226

Preview

Coordinates	7009226.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	H8 Na O14 P2 V2
Calculated formula	Na O14 P2 V2
Title of publication	Crystal and electronic structures and magnetic susceptibility of the photochemically prepared layered vanadyl phosphate Na(VO)2(PO4)2·4H2O †
Authors of publication	Yamase, Toshihiro; Makino, Haruyo
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2000
Journal issue	7
Pages of publication	1143
a	6.293 ± 0.003 Å
b	6.294 ± 0.003 Å
c	6.844 ± 0.005 Å
α	107.04 ± 0.05°
β	92.34 ± 0.05°
γ	90.13 ± 0.05°
Cell volume	258.9 ± 0.3 Å³
Cell temperature	298 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.067
Weighted residual factors for all reflections included in the refinement	0.072
Goodness-of-fit parameter for all reflections included in the refinement	2.06
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
209356 (current)	2018-08-02	cif/7/00/92/ Changing the space group from 'P 1' to 'P -1' in entry 7009226 after consulting the original publication.	7009226.cif
176453	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7009226.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7009226.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7009226.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7009226.cif