Information card for entry 1561613

Structure parameters

• Formula: Bi3 Cu1.5 I0.5 S5
• Calculated formula: Bi3 Cu1.5 I0.5 S5
• Title of publication: Syntheses, crystal Structures and electronic Structures of new metal chalcoiodides Bi2CuSe3I and Bi6Cu3S10I
• Authors of publication: Liang, I-Chu; Bilc, Daniel I.; Manoli, Maria; Chang, Wei-Yun; Lin, Wen-Fu; Kyratsi, Theodora; Hsu, Kuei-Fang
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2016
• Journal volume: 234
• Pages of publication: 1 - 8
• a: 17.4761 ± 0.0016 Å
• b: 4.0078 ± 0.0004 Å
• c: 27.391 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1918.5 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0407
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0865
• Weighted residual factors for all reflections included in the refinement: 0.0884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No