Information card for entry 4002166

Structure parameters

• Formula: Ca14 Mg Sb11
• Calculated formula: Ca14 Mg Sb10.908
• Title of publication: Yb14MgSb11and Ca14MgSb11—New Mg-Containing Zintl Compounds and Their Structures, Bonding, and Thermoelectric Properties
• Authors of publication: Hu, Yufei; Wang, Jian; Kawamura, Airi; Kovnir, Kirill; Kauzlarich, Susan M.
• Journal of publication: Chemistry of Materials
• Year of publication: 2015
• Journal volume: 27
• Journal issue: 1
• Pages of publication: 343
• a: 16.693 ± 0.002 Å
• b: 16.693 ± 0.002 Å
• c: 22.577 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6291.2 ± 1.8 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 3
• Space group number: 142
• Hermann-Mauguin space group symbol: I 41/a c d :2
• Hall space group symbol: -I 4bd 2c
• Residual factor for all reflections: 0.0792
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0752
• Weighted residual factors for all reflections included in the refinement: 0.0907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No