Information card for entry 4003912

Structure parameters

• Formula: Ca10.82 Sb9 Zn0.66
• Calculated formula: Ca10.818 Sb9 Zn0.657
• Title of publication: Ultralow Thermal Conductivity and High Thermopower in a New Family of Zintl Antimonides Ca10MSb9 (M = Ga, In, Mn, Zn) with Complex Structures and Heavy Disorder
• Authors of publication: Ovchinnikov, Alexander; Chanakian, Sevan; Zevalkink, Alexandra; Bobev, Svilen
• Journal of publication: Chemistry of Materials
• Year of publication: 2021
• a: 11.8295 ± 0.0018 Å
• b: 11.8295 Å
• c: 17.246 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2413.4 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 136
• Hermann-Mauguin space group symbol: P 42/m n m
• Hall space group symbol: -P 4n 2n
• Residual factor for all reflections: 0.0472
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0678
• Weighted residual factors for all reflections included in the refinement: 0.072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No