Information card for entry 4002743

Structure parameters

• Formula: Al2 Ca2.79 Sb6 Yb2.22
• Calculated formula: Al2 Ca2.784 Sb6 Yb2.216
• Title of publication: Influence of Thermally Activated Solid-State Crystal-to-Crystal Structural Transformation on the Thermoelectric Properties of the Ca5‒xYbxAl2Sb6 (1.0 ≤ x ≤ 5.0) System
• Authors of publication: Nam, Gnu; Choi, Woongjin; Jo, Hongil; Ok, Kang Min; Ahn, Kyunghan; You, Tae-Soo
• Journal of publication: Chemistry of Materials
• Year of publication: 2017
• Journal volume: 29
• Journal issue: 3
• Pages of publication: 1384
• a: 12.0321 ± 0.0002 Å
• b: 14.023 ± 0.0003 Å
• c: 4.4532 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 751.37 ± 0.03 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 55
• Hermann-Mauguin space group symbol: P b a m
• Hall space group symbol: -P 2 2ab
• Residual factor for all reflections: 0.0225
• Residual factor for significantly intense reflections: 0.0214
• Weighted residual factors for significantly intense reflections: 0.0536
• Weighted residual factors for all reflections included in the refinement: 0.0541
• 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