Information card for entry 4001651

Structure parameters

• Formula: Bi3.75 Cs0.75 Se3.3 Te2.7
• Calculated formula: Bi3.75 Cs0.75 Se3.31 Te2.69
• 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: 24.006 ± 0.012 Å
• b: 4.291 ± 0.002 Å
• c: 14.258 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1468.7 ± 1.2 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: 0.118
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1195
• Weighted residual factors for all reflections included in the refinement: 0.149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No