Information card for entry 2020804

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 ų
• 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 Fobs: Yes