Crystallography Open Database

Information card for entry 2203124

2203123 << 2203124 >> 2203125

Preview

Coordinates	2203124.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Trisodium vanadium oxide trisulfide
Formula	Na3 O S3 V
Calculated formula	Na3 O S3 V
SMILES	[V](=S)([S-])([S-])[O-].[Na+].[Na+].[Na+]
Title of publication	Na~3~VOS~3~
Authors of publication	Huang, Fu Qiang; Ibers, James A.
Journal of publication	Acta Crystallographica, Section E
Year of publication	2004
Journal volume	60
Journal issue	1
Pages of publication	i6 - i7
a	9.6673 ± 0.0011 Å
b	11.9122 ± 0.0014 Å
c	5.8846 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	677.66 ± 0.14 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	4
Space group number	36
Hermann-Mauguin space group symbol	C m c 21
Hall space group symbol	C 2c -2
Residual factor for all reflections	0.0172
Residual factor for significantly intense reflections	0.017
Weighted residual factors for significantly intense reflections	0.0441
Weighted residual factors for all reflections included in the refinement	0.0441
Goodness-of-fit parameter for all reflections included in the refinement	1.149
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
277836 (current)	2022-09-14	cif/ Added space group information derived from the space group operation list using the 'cif_filter' program.	2203124.cif
277835	2022-09-14	cif/ Reordered data items using the 'cif_filter' program to ensure that future changes to the file result in a minimal number of modified lines.	2203124.cif
129439	2015-01-07	cod/ (robertas@burundukas) Correcting values of _exptl_crystal_density_meas and _exptl_crystal_density_method data items: codsql "select codid from validation where message like '%\\'_exptl_crystal_density_meas\\' value \"not measured\" is %'" -NB \ \| codid2file \ \| xargs perl -i -pe "s/_exptl_crystal_density_meas\\s+'not +measured'/_exptl_crystal_density_meas ?/i; \ s/_exptl_crystal_density_method\\s+('not +measured'\|\\?\|none)/_exptl_crystal_density_method ./i"	2203124.cif
120072	2014-07-11	Adding DOIs to range 2 structures.	2203124.cif
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2203124.cif
966	2010-01-30	cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated.	2203124.cif
321	2008-03-30	Changing the COD CIF files header (comments) in all files that were recently deposited from the IUCr autodownloaded sources to the text agreed with IUCr.	2203124.cif
30	2008-01-27	Adding the reprocessed files from my first COD deposition. Reprocessing with the new cif-tools scripts removed missing tags and added Acta Cryst. Coeditor codes into those files where the corresponding CIF tag was present. Not all reprocessed files were changed. Alsin two entries, cif/8/8000061.cif and cif/8/8000065.cif, were removed manually, both from the CIF file directory and from the cif2cod.txt file, since these two files were detected to be duplicates.	2203124.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	2203124.cif
13	2008-01-13	Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory.	2203124.cif
5	2008-01-03	Adding 507 CIF files deposited into COD today, on 2008.01.03.	2203124.cif