Information card for entry 4319066

Structure parameters

• Formula: Bi Cs S4 Si
• Calculated formula: Bi Cs S4 Si
• Title of publication: New Quaternary Bismuth Sulfides: Syntheses, Structures, and Band Structures of AMBiS4 (A = Rb, Cs; M = Si, Ge)
• Authors of publication: Jiyong Yao; Bin Deng; Donald E. Ellis; James A. Ibers
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 7094 - 7099
• a: 9.3351 ± 0.0007 Å
• b: 6.9313 ± 0.0005 Å
• c: 12.8115 ± 0.001 Å
• α: 90°
• β: 109.096 ± 0.001°
• γ: 90°
• Cell volume: 783.34 ± 0.1 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0355
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0665
• Weighted residual factors for all reflections included in the refinement: 0.0688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.237
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No