Information card for entry 4336252

Structure parameters

• Formula: As2 Bi Cs3 S8
• Calculated formula: As2 Bi Cs3 S8
• Title of publication: Crystalline and Glassy Phases in the Cs/Bi/As/S System
• Authors of publication: Tarun K. Bera; Ratnasabapathy G. Iyer; Christos D. Malliakas; Mercouri G. Kanatzidis
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 11370 - 11376
• a: 9.665 ± 0.003 Å
• b: 7.152 ± 0.002 Å
• c: 25.365 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1753.3 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0633
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0696
• Weighted residual factors for all reflections included in the refinement: 0.0784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No