Crystallography Open Database

Information card for entry 2020804

2020803 << 2020804 >> 2020805

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Structure parameters

Chemical name	Disodium magnesium bis(selenate) decahydrate
Formula	H20 Mg Na2 O18 Se2
Calculated formula	H20 Mg Na2 O18 Se2
SMILES	[Se](=O)(=O)([O-])[O-].[Se](=O)(=O)([O-])[O-].[Mg]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].[Na+].[Na+].O.O.O.O
Title of publication	Crystal structures of sodium magnesium selenate decahydrate, Na~2~Mg(SeO~4~)~2~·10H~2~O, a new selenate salt, and sodium magnesium selenate dihydrate, Na~2~Mg(SeO~4~)~2~·2H~2~O
Authors of publication	Kamburov, Stoyan; Schmidt, Horst; Voigt, Wolfgang; Balarew, Christo
Journal of publication	Acta Crystallographica Section C
Year of publication	2017
Journal volume	73
Journal issue	7
Pages of publication	582 - 587
a	12.671 ± 0.002 Å
b	6.61 ± 0.001 Å
c	10.2706 ± 0.0002 Å
α	90°
β	106.64 ± 0.01°
γ	90°
Cell volume	824.19 ± 0.19 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
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	0.0263
Residual factor for significantly intense reflections	0.0199
Weighted residual factors for significantly intense reflections	0.0434
Weighted residual factors for all reflections included in the refinement	0.0464
Goodness-of-fit parameter for all reflections included in the refinement	1.011
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
199092 (current)	2017-07-25	cif/ hkl/ Adding structures of 2020804, 2020805 via cif-deposit CGI script.	2020804.cif 2020804.hkl