Crystallography Open Database

Information card for entry 2020805

2020804 << 2020805 >> 2020806

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Structure parameters

Chemical name	Disodium magnesium bis(selenate) dihydrate
Formula	H4 Mg Na2 O10 Se2
Calculated formula	H4 Mg Na2 O10 Se2
SMILES	[Mg]([OH2])([OH2])(O[Se](=O)(=O)O1)O[Se](=O)(=O)O[Mg]1([OH2])([OH2])(O[Se](=O)(=O)[O-])O[Se](=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
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	5.556 ± 0.004 Å
b	5.923 ± 0.004 Å
c	7.224 ± 0.005 Å
α	108.36 ± 0.06°
β	99.07 ± 0.05°
γ	106.63 ± 0.06°
Cell volume	208 ± 0.3 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.039
Residual factor for significantly intense reflections	0.0321
Weighted residual factors for significantly intense reflections	0.0806
Weighted residual factors for all reflections included in the refinement	0.0844
Goodness-of-fit parameter for all reflections included in the refinement	1.269
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.	2020805.cif 2020805.hkl