Information card for entry 4000954

Structure parameters

• Common name: calcium-magnesium silicide
• Chemical name: calcium-magnesium silicide
• Formula: Ca Mg Si
• Calculated formula: Ca Mg Si
• SMILES: [Ca+2].[Si-4].[Mg+2]
• Title of publication: Metal to Semimetal Transition in CaMgSi Crystals Grown from Mg−Al Flux
• Authors of publication: Whalen, Jeffrey B.; Zaikina, Julia V.; Achey, Randall; Stillwell, Ryan; Zhou, Haidong; Wiebe, Christopher R.; Latturner, Susan E.
• Journal of publication: Chemistry of Materials
• Year of publication: 2010
• Journal volume: 22
• Journal issue: 5
• Pages of publication: 1846
• a: 7.4752 ± 0.0002 Å
• b: 4.4272 ± 0.0001 Å
• c: 8.3149 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 275.175 ± 0.012 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0272
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.046
• Weighted residual factors for all reflections included in the refinement: 0.048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No