Information card for entry 2106777

Structure parameters

• Chemical name: Bi-sulfate
• Formula: Bi14 O36 S5
• Calculated formula: Bi14 O34 S5
• SMILES: [Bi+3].[Bi+3].[Bi+3].[Bi+3].[Bi+3].[Bi+3].[Bi+3].[Bi+3].[Bi+3].[Bi+3].[Bi+3].[Bi+3].[Bi+3].[Bi+3].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].S(=O)(=O)([O-])OOSOOS(=O)(=O)[O-].S(=O)(=O)([O-])[O-].S(=O)(=O)([O-])[O-]
• Title of publication: Fluorite-related one-dimensional units in natural bismuth oxysulfates: the crystal structures of Bi~14~O~16~(SO~4~)~5~ and Bi~30~O~33~(SO~4~)~9~(AsO~4~)~2~
• Authors of publication: Pinto, Daniela; Garavelli, Anna; Bindi, Luca
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 5
• a: 21.658 ± 0.004 Å
• b: 5.6648 ± 0.0009 Å
• c: 15.092 ± 0.003 Å
• α: 90°
• β: 119.433 ± 0.011°
• γ: 90°
• Cell volume: 1612.6 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1557
• Residual factor for significantly intense reflections: 0.1241
• Weighted residual factors for significantly intense reflections: 0.311
• Weighted residual factors for all reflections included in the refinement: 0.3419
• Goodness-of-fit parameter for all reflections included in the refinement: 1.187
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes