Information card for entry 2224480

Structure parameters

• Chemical name: Tricaesium bromide dimolybdate
• Formula: Br Cs3 Mo2 O7
• Calculated formula: Br Cs3 Mo2 O7
• SMILES: [Cs+].[Cs+].[O-][Mo](O[Mo]([O-])(=O)=O)(=O)=O.[Cs+].[Br-]
• Title of publication: Tricaesium dimolybdate(VI) bromide
• Authors of publication: Pakhomova, Anna S.; Krivovichev, Sergey V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: i87
• a: 6.3993 ± 0.0005 Å
• b: 6.3993 ± 0.0005 Å
• c: 16.487 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 584.71 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 194
• Hermann-Mauguin space group symbol: P 63/m m c
• Hall space group symbol: -P 6c 2c
• Residual factor for all reflections: 0.0258
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.062
• Weighted residual factors for all reflections included in the refinement: 0.0623
• Goodness-of-fit parameter for all reflections included in the refinement: 1.179
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes