Crystallography Open Database

Information card for entry 2105955

Preview

Coordinates	2105955.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Sodium selenate decahydrate
Formula	H20 Na2 O14 Se
Calculated formula	H20 Na2 O14 Se
SMILES	[Se](=O)(=O)([O-])[O-].[Na+].[Na+].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	11.6498 ± 0.0013 Å
b	10.5446 ± 0.0009 Å
c	13.0181 ± 0.0015 Å
α	90°
β	107.929 ± 0.009°
γ	90°
Cell volume	1521.5 ± 0.3 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.0275
Residual factor for significantly intense reflections	0.0238
Weighted residual factors for significantly intense reflections	0.0603
Weighted residual factors for all reflections included in the refinement	0.0614
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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.	2105955.cif
121040	2014-08-01	cif/ hkl/ Adding structures of 2105954, 2105955, 2105956, 2105957, 2105958 via cif-deposit CGI script.	2105955.cif