Information card for entry 2108356

Structure parameters

• Formula: Al72 Au2.5 Ir29.5
• Calculated formula: Al72 Au2.5008 Ir29.52
• Title of publication: A new ternary compound with the BGa~8~Ir~4~ structure type in the Al‒Au‒Ir system
• Authors of publication: Kadok, Joris; de Weerd, Marie-Cécile; Boulet, Pascal; Fournée, Vincent; Ledieu, Julian
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 1
• Pages of publication: 49 - 52
• a: 8.6339 ± 0.0002 Å
• b: 8.6339 ± 0.0002 Å
• c: 21.8874 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1631.58 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 142
• Hermann-Mauguin space group symbol: I 41/a c d
• Hall space group symbol: -I 4bd 2c
• Residual factor for all reflections: 0.025
• Residual factor for significantly intense reflections: 0.0165
• Weighted residual factors for significantly intense reflections: 0.0388
• Weighted residual factors for all reflections included in the refinement: 0.0432
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes