Information card for entry 4003864

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: 15.118 ± 0.007 Å
• b: 4.2228 ± 0.0007 Å
• c: 7.7014 ± 0.0012 Å
• α: 90°
• β: 117.56 ± 0.02°
• γ: 90°
• Cell volume: 435.9 ± 0.2 ų
• Cell temperature: 298.15 K
• Ambient diffraction temperature: 298.15 K
• Ambient diffracton pressure: 7740000 kPa
• Number of distinct elements: 2
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.196
• Residual factor for significantly intense reflections: 0.1272
• Weighted residual factors for significantly intense reflections: 0.3127
• Weighted residual factors for all reflections included in the refinement: 0.4647
• Goodness-of-fit parameter for all reflections included in the refinement: 1.933
• Diffraction radiation wavelength: 0.4335 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No