Information card for entry 2013923

Structure parameters

• Common name: sodium magnesium decavanadate hydrate
• Chemical name: dimagnesium disodium decavanadate icosahydrate
• Formula: H40 Mg2 Na2 O48 V10
• Calculated formula: H40 Mg2 Na2 O48 V10
• SMILES: [V]1234(=O)O[V]567(=O)O[V]89%10%11[O]%12%1337[V]37(=O)(O6)O[V]%12(=O)(O[V]6%12%14%13[O]2[V]2%13(=O)(O[V]%15%16(=O)(O%12)O[V]%12(=O)(O8)(O2)O[V]([O]36)(=O)(O%15)([O]%107)[O]%11%14%13%16%12)[O]49)(O5)O1.[Mg]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].[Mg]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].[Na+].[Na+].O.O.O.O.O.O.O.O
• Title of publication: Mg~2~Na~2~V~10~O~28~·20H~2~O and Mg~3~V~10~O~28~·28H~2~O
• Authors of publication: Iida, Akifumi; Ozeki, Tomoji
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 4
• Pages of publication: i43 - i46
• a: 23.8384 ± 0.0006 Å
• b: 11.0248 ± 0.0002 Å
• c: 16.9332 ± 0.0004 Å
• α: 90°
• β: 118.005 ± 0.001°
• γ: 90°
• Cell volume: 3929.18 ± 0.16 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0397
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.0749
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes