Crystallography Open Database

Information card for entry 2105956

Preview

Coordinates	2105956.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Sodium sulfate heptahydrate
Formula	H14 Na2 O11 S
Calculated formula	H14 Na2 O11 S
SMILES	[Na+].[Na+].S(=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	14.3249 ± 0.0015 Å
b	14.3249 ± 0.0015 Å
c	22.202 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	4555.9 ± 1.1 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	92
Hermann-Mauguin space group symbol	P 41 21 2
Hall space group symbol	P 4abw 2nw
Residual factor for all reflections	0.0499
Residual factor for significantly intense reflections	0.028
Weighted residual factors for significantly intense reflections	0.1023
Weighted residual factors for all reflections included in the refinement	0.1096
Goodness-of-fit parameter for all reflections included in the refinement	1.064
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.	2105956.cif
121040	2014-08-01	cif/ hkl/ Adding structures of 2105954, 2105955, 2105956, 2105957, 2105958 via cif-deposit CGI script.	2105956.cif