Information card for entry 7040428

Structure parameters

• Chemical name: Zinc antimonide
• Formula: Sb30 Zn38.45
• Calculated formula: Sb30 Zn38.448
• Title of publication: High-pressure single crystal X-ray diffraction study of thermoelectric ZnSb and β-Zn4Sb3.
• Authors of publication: Borup, Mette Andersen; Blichfeld, Anders Bank; Madsen, Solveig Røgild; Iversen, Bo Brummerstedt
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 38
• Pages of publication: 15097 - 15103
• a: 12.0867 ± 0.0014 Å
• b: 12.0867 ± 0.0014 Å
• c: 12.3073 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1557.1 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Cell measurement pressure: 1970000 ± 30000 kPa
• Number of distinct elements: 2
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0733
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.1096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.56086 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No