Information card for entry 4109448

Structure parameters

• Formula: Au12.2 Ca3 In6.3
• Calculated formula: Au12.168 Ca3 In6.298
• 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: 15.152 ± 0.002 Å
• b: 15.152 ± 0.002 Å
• c: 15.152 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3478.6 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 204
• Hermann-Mauguin space group symbol: I m -3
• Hall space group symbol: -I 2 2 3
• Residual factor for all reflections: 0.0614
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1136
• Weighted residual factors for all reflections included in the refinement: 0.118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No