Information card for entry 4133984

Structure parameters

• Formula: Cs8 In27 Sb19
• Calculated formula: Cs8 In27 Sb19
• Title of publication: III-V Clathrate Semiconductors with Outstanding Hole Mobility: Cs₈In₂₇Sb₁₉ and <i>A</i>₈Ga₂₇Sb₁₉ (<i>A</i> = Cs, Rb).
• Authors of publication: Owens-Baird, Bryan; Wang, Jian; Wang, Suyin Grass; Chen, Yu-Sheng; Lee, Shannon; Donadio, Davide; Kovnir, Kirill
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• Journal volume: 142
• Journal issue: 4
• Pages of publication: 2031 - 2041
• a: 24.462 ± 0.0008 Å
• b: 24.462 ± 0.0008 Å
• c: 24.462 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14637.8 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 206
• Hermann-Mauguin space group symbol: I a -3
• Hall space group symbol: -I 2b 2c 3
• Residual factor for all reflections: 0.0334
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0533
• Weighted residual factors for all reflections included in the refinement: 0.0588
• Goodness-of-fit parameter for all reflections included in the refinement: 1.219
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No