Crystallography Open Database

Information card for entry 2105958

Preview

Coordinates	2105958.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Sodium sulfate-water (1/10)
Formula	H20 Na2 O14 S
Calculated formula	H20 Na2 O14 S
SMILES	[Na+].[Na+].S(=O)(=O)([O-])[O-].O.O.O.O.O.O.O.O.O.O
Title of publication	Similarities and peculiarities between the crystal structures of the hydrates of sodium sulfate and selenate
Authors of publication	Kamburov, Stoyan; Schmidt, Horst; Voigt, Wolfgang; Balarew, Christo
Journal of publication	Acta Crystallographica Section B
Year of publication	2014
Journal volume	70
Journal issue	4
Pages of publication	714 - 722
a	11.467 ± 0.002 Å
b	10.3455 ± 0.0012 Å
c	12.795 ± 0.002 Å
α	90°
β	107.805 ± 0.015°
γ	90°
Cell volume	1445.2 ± 0.4 Å³
Cell temperature	250 ± 2 K
Ambient diffraction temperature	250 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0357
Residual factor for significantly intense reflections	0.0244
Weighted residual factors for significantly intense reflections	0.0575
Weighted residual factors for all reflections included in the refinement	0.0606
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
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.	2105958.cif
121040	2014-08-01	cif/ hkl/ Adding structures of 2105954, 2105955, 2105956, 2105957, 2105958 via cif-deposit CGI script.	2105958.cif