Crystallography Open Database

Information card for entry 1558517

Preview

Coordinates	1558517.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Na3V(SO4)3
Formula	Na3 O12 S3 V
Calculated formula	Na3 O12 S3 V
SMILES	[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[V]12OS(=O)(=O)O[V](OS(=O)(=O)O1)(OS(=O)(=O)O2)(OS(=O)(=O)[O-])(OS(=O)(=O)[O-])OS(=O)(=O)[O-]
Title of publication	Synthesis and Crystal Structure of Na3V(SO4)3. Spectroscopic Characterization of Na3V(SO4)3 and NaV(SO4)2
Authors of publication	Boghosian, Soghomon; Fehrmann, Rasmus; Nielsen, Kurt
Journal of publication	Acta Chemica Scandinavica
Year of publication	1994
Journal volume	48
Pages of publication	724 - 731
a	13.439 ± 0.001 Å
b	13.439 ± 0.001 Å
c	9.091 ± 0.001 Å
α	90°
β	90°
γ	120°
Cell volume	1421.9 ± 0.2 Å³
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for significantly intense reflections	0.0274
Weighted residual factors for significantly intense reflections	0.0399
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
254062 (current)	2020-07-07	cif/ Adding structures of 1558517 via cif-deposit CGI script.	1558517.cif