Information card for entry 4304962

Structure parameters

• Formula: Au3 Ca Ga
• Calculated formula: Au3 Ca Ga
• Title of publication: Interpenetrating Networks of Three-Dimensional Penrose Tiles in CaAu3Ga, the Structurally Simplest Cubic Approximant of an Icosahedral Quasicrystal
• Authors of publication: Qisheng Lin; John D. Corbett
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 3462 - 3464
• a: 9.0882 ± 0.0007 Å
• b: 9.0882 ± 0.0007 Å
• c: 9.0882 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 750.64 ± 0.1 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0294
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0628
• Weighted residual factors for all reflections included in the refinement: 0.0634
• Goodness-of-fit parameter for all reflections included in the refinement: 1.182
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No