Information card for entry 1520006

Structure parameters

• Formula: Bi9 O7.5 S6
• Calculated formula: Bi9 O7.5 S6
• 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].[Bi+3].[Bi+3].[Bi+3].[Bi+3].[S-2].[S-2].[S-2].[S-2].[S-2].[S-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[S-2].[S-2].[S-2].[S-2].[S-2].[S-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2]
• Title of publication: Synthesis, Crystal Structure, and Photoelectric Properties of a New Layered Bismuth Oxysulfide.
• Authors of publication: Meng, Sha; Zhang, Xian; Zhang, Ganghua; Wang, Yaoming; Zhang, Hui; Huang, Fuqiang
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 12
• Pages of publication: 5768 - 5773
• a: 4.0685 ± 0.0007 Å
• b: 4.0685 ± 0.0007 Å
• c: 31.029 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 444.8 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 166
• Hermann-Mauguin space group symbol: R -3 m :H
• Hall space group symbol: -R 3 2"
• Residual factor for all reflections: 0.0233
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.0526
• Weighted residual factors for all reflections included in the refinement: 0.0537
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No