Information card for entry 4001650

Structure parameters

• Formula: Bi4 Cs0.8 Se0.72 Te5.28
• Calculated formula: Bi4 Cs0.804 Se0.72 Te5.28
• Title of publication: Sb and Se Substitution in CsBi4Te6: The Semiconductors CsM4Q6(M = Bi, Sb; Q = Te, Se), Cs2Bi10Q15, and CsBi5Q8
• Authors of publication: Chung, Duck Young; Uher, Ctirad; Kanatzidis, Mercouri G.
• Journal of publication: Chemistry of Materials
• Year of publication: 2012
• Journal volume: 24
• Journal issue: 10
• Pages of publication: 1854
• a: 63.677 ± 0.011 Å
• b: 4.3157 ± 0.0008 Å
• c: 14.387 ± 0.003 Å
• α: 90°
• β: 101.483 ± 0.002°
• γ: 90°
• Cell volume: 3874.6 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.099
• Residual factor for significantly intense reflections: 0.0659
• Weighted residual factors for significantly intense reflections: 0.1709
• Weighted residual factors for all reflections included in the refinement: 0.1851
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No