Information card for entry 2100610

Structure parameters

• Formula: Al Ca Si
• Calculated formula: Al Ca Si
• Title of publication: Modulated corrugations in the crystal structure of the superconductor CaAlSi
• Authors of publication: K. M. Sparta; R. Müller; M. Merz; G. Roth; P. Adelmann; T. Wolf
• Journal of publication: Acta Crystallographica, Section B
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 1
• Pages of publication: 710 - 718
• a: 4.1772 ± 0.00004 Å
• b: 4.1772 ± 0.00004 Å
• c: 21.9372 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 331.5 ± 0.006 ų
• Cell temperature: 298 K
• Number of distinct elements: 3
• Space group number: 187
• Hermann-Mauguin space group symbol: P -6 m 2
• Hall space group symbol: P -6 2
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for all reflections included in the refinement: 0.0863
• Goodness-of-fit parameter for all reflections included in the refinement: 1.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No