Information card for entry 4337665

Structure parameters

• Formula: Mo6 O24 Rb8 Th
• Calculated formula: Mo6 O24 Rb8 Th
• SMILES: O=[Mo](O[Th]12(O[Mo](O1)(=O)=O)(O[Mo](O2)(=O)=O)(O[Mo](=O)(=O)[O-])(O[Mo]([O-])(=O)=O)O[Mo]([O-])(=O)=O)(=O)[O-].[Rb+].[Rb+].[Rb+].[Rb+].[Rb+].[Rb+].[Rb+].[Rb+]
• Title of publication: High-temperature phase transitions, spectroscopic properties, and dimensionality reduction in rubidium thorium molybdate family.
• Authors of publication: Xiao, Bin; Gesing, Thorsten M.; Kegler, Philip; Modolo, Giuseppe; Bosbach, Dirk; Schlenz, Hartmut; Suleimanov, Evgeny V.; Alekseev, Evgeny V.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 6
• Pages of publication: 3088 - 3098
• a: 10.7163 ± 0.0003 Å
• b: 18.0594 ± 0.0004 Å
• c: 14.9941 ± 0.0004 Å
• α: 90°
• β: 103.417 ± 0.003°
• γ: 90°
• Cell volume: 2822.61 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0562
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1109
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No