Information card for entry 4338449

Structure parameters

• Formula: H39 K4.5 Mn3 Na2.5 O55 Si W9
• Calculated formula: K3.75 Mn3 Na0.375 O46.5 Si W9
• SMILES: [W]1234(O[W]567([O]89[Si]%10%11[O]%12%13[W]%14%15%16(O[W]%17%18%19(=O)O[W]%20(=O)(O3)(=[O][Mn]3([OH2])([OH][Mn]%219([OH2])([OH][Mn]%13([OH2])([OH]3)([O]=[W]3%12(O[W]8(=O)(O[W]8([O]2%10[W](O1)(O%19)(O8)(=O)O%14)(O3)(O4)=O)(O6)O%21)(=O)O%15)[O]=%16)[O]=7)([O]=%17)[O]%11%18%20)O5)=O)=O)=O.[K+].[K+].[K+].[K+].O.O.O.O.O.O.O
• Title of publication: Synthesis and characterization of multinuclear manganese-containing tungstosilicates.
• Authors of publication: Al-Oweini, Rami; Bassil, Bassem S.; Friedl, Jochen; Kottisch, Veronika; Ibrahim, Masooma; Asano, Marie; Keita, Bineta; Novitchi, Ghenadie; Lan, Yanhua; Powell, Annie; Stimming, Ulrich; Kortz, Ulrich
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 11
• Pages of publication: 5663 - 5673
• a: 12.3104 ± 0.0004 Å
• b: 12.3104 ± 0.0004 Å
• c: 52.317 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6866.2 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0743
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1337
• Weighted residual factors for all reflections included in the refinement: 0.1599
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No