Information card for entry 4003862

Structure parameters

• Formula: Mg3 Sb2
• Calculated formula: Mg3 Sb2
• Title of publication: Anisotropic Structural Collapse of Mg3Sb2 and Mg3Bi2 at High Pressure
• Authors of publication: Calderón-Cueva, Mario; Peng, Wanyue; Clarke, Samantha M.; Ding, Jingxuan; Brugman, Benjamin L.; Levental, Gill; Balodhi, Ashiwini; Rylko, Megan; Delaire, Olivier; Walsh, James P. S.; Dorfman, Susannah M.; Zevalkink, Alexandra
• Journal of publication: Chemistry of Materials
• Year of publication: 2021
• Journal volume: 33
• Journal issue: 2
• Pages of publication: 567 - 573
• a: 4.4808 ± 0.0003 Å
• b: 4.4808 ± 0.0003 Å
• c: 7.066 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 122.86 ± 0.05 ų
• Cell temperature: 298.15 K
• Ambient diffraction temperature: 298.15 K
• Ambient diffracton pressure: 3210000 kPa
• Number of distinct elements: 2
• Space group number: 164
• Hermann-Mauguin space group symbol: P -3 m 1
• Hall space group symbol: -P 3 2"
• Residual factor for all reflections: 0.1687
• Residual factor for significantly intense reflections: 0.0924
• Weighted residual factors for significantly intense reflections: 0.1759
• Weighted residual factors for all reflections included in the refinement: 0.3306
• Goodness-of-fit parameter for all reflections included in the refinement: 1.634
• Diffraction radiation wavelength: 0.4335 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No