Information card for entry 4114682

Structure parameters

• Chemical name: cesium lead bismuth telluride (0.85/0.85/3.15/6)
• Formula: Bi3.15 Cs0.85 Pb0.85 Te6
• Calculated formula: Bi2 Cs0.42 Te3
• Title of publication: CsMBi3Te6 and CsM2Bi3Te7 (M = Pb, Sn): New Thermoelectric Compounds with Low-Dimensional Structures
• Authors of publication: Kuei-Fang Hsu; Duck-Young Chung; Sangeeta Lal; Antje Mrotzek; Theodora Kyratsi; Tim Hogan; Mercouri G. Kanatzidis
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 2410 - 2411
• a: 6.3322 ± 0.0006 Å
• b: 28.667 ± 0.003 Å
• c: 4.3637 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 792.12 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for all reflections: 0.0475
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No