Information card for entry 1563557

Structure parameters

• Formula: Bi Ge K S4
• Calculated formula: Bi Ge K S4
• Title of publication: KBiMS4 (M=Si, Ge): Synthesis, structure, and electronic structure
• Authors of publication: Mei, Dajiang; Lin, Zheshuai; Bai, Lei; Yao, Jiyong; Fu, Peizhen; Wu, Yicheng
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2010
• Journal volume: 183
• Journal issue: 7
• Pages of publication: 1640 - 1644
• a: 6.5981 ± 0.0013 Å
• b: 6.8149 ± 0.0014 Å
• c: 17.284 ± 0.004 Å
• α: 90°
• β: 108.46 ± 0.03°
• γ: 90°
• Cell volume: 737.2 ± 0.3 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 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: 0.0386
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.055
• Weighted residual factors for all reflections included in the refinement: 0.0571
• Goodness-of-fit parameter for all reflections included in the refinement: 0.934
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No