Information card for entry 2239926

Structure parameters

• Common name: magnesium selenate heptahydrate
• Chemical name: Hexaaquamagnesium(II) selenate monohydrate
• Formula: H14 Mg O11 Se
• Calculated formula: H14 Mg O11 Se
• SMILES: [Se](=O)(=O)([O-])[O-].[Mg]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].O
• Title of publication: Crystal structure of magnesium selenate heptahydrate, MgSeO~4~·7H~2~O, from neutron time-of-flight data
• Authors of publication: Fortes, A. Dominic; Gutmann, Matthias J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 9
• Pages of publication: 134 - 137
• a: 12.234 ± 0.004 Å
• b: 12.02 ± 0.004 Å
• c: 6.809 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1001.3 ± 0.6 ų
• Cell temperature: 10 ± 2 K
• Ambient diffraction temperature: 10 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0723
• Residual factor for significantly intense reflections: 0.0723
• Weighted residual factors for significantly intense reflections: 0.1969
• Weighted residual factors for all reflections included in the refinement: 0.1969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation type: neutron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes