Information card for entry 2020805

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 ų
• 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 Fobs: Yes