Information card for entry 1561612

Structure parameters

• Formula: Bi Cu0.5 I0.5 Se1.5
• Calculated formula: Bi Cu0.479 I0.5 Se1.5
• 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: 14.243 ± 0.002 Å
• b: 4.1937 ± 0.0007 Å
• c: 14.647 ± 0.002 Å
• α: 90°
• β: 116.095 ± 0.002°
• γ: 90°
• Cell volume: 785.7 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0353
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections included in the refinement: 0.0737
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No