Information card for entry 4002985

Structure parameters

• Formula: Mn4 Sb18 Yb21
• Calculated formula: Mn3.923 Sb18 Yb20.9416
• Title of publication: Structural Complexity and High Thermoelectric Performance of the Zintl Phase: Yb21Mn4Sb18
• Authors of publication: He, Allan; Bux, Sabah K.; Hu, Yufei; Uhl, David; Li, Li; Donadio, Davide; Kauzlarich, Susan M.
• Journal of publication: Chemistry of Materials
• Year of publication: 2019
• Journal volume: 31
• Journal issue: 19
• Pages of publication: 8076
• a: 16.93 ± 0.003 Å
• b: 17.029 ± 0.003 Å
• c: 16.693 ± 0.003 Å
• α: 90°
• β: 92.61 ± 0.03°
• γ: 90°
• Cell volume: 4807.6 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0284
• Residual factor for significantly intense reflections: 0.0224
• Weighted residual factors for significantly intense reflections: 0.0394
• Weighted residual factors for all reflections included in the refinement: 0.0411
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No