Information card for entry 4109449

Structure parameters

• Formula: Au37 Ca12.6 In39.6
• Calculated formula: Au37.003 Ca12.64 In39.609
• Title of publication: Development of the Ca-Au-In Icosahedral Quasicrystal and Two Crystalline Approximants: Practice via Pseudogap Electronic Tuning
• Authors of publication: Qisheng Lin; John D. Corbett
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 6789 - 6797
• a: 24.632 ± 0.003 Å
• b: 24.632 ± 0.003 Å
• c: 24.632 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14945 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Residual factor for all reflections: 0.098
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1242
• Weighted residual factors for all reflections included in the refinement: 0.1432
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No