Information card for entry 4313238

Structure parameters

• Formula: Ca Mg2
• Calculated formula: Ca Mg2
• SMILES: [Ca].[Mg].[Mg]
• Title of publication: Laves-Phase Structural Changes in the System CaAl2-xMgx
• Authors of publication: Shahrad Amerioun; Sergei I. Simak; Ulrich Häussermann
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 1467 - 1474
• a: 6.2613 ± 0.0005 Å
• b: 6.2613 ± 0.0005 Å
• c: 10.1573 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 344.86 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 2
• Space group number: 194
• Hermann-Mauguin space group symbol: P 63/m m c
• Hall space group symbol: -P 6c 2c
• Residual factor for all reflections: 0.015
• Residual factor for significantly intense reflections: 0.0109
• Weighted residual factors for significantly intense reflections: 0.0233
• Weighted residual factors for all reflections included in the refinement: 0.0238
• Goodness-of-fit parameter for all reflections included in the refinement: 1.187
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No