Information card for entry 2105469

Structure parameters

• Formula: Al220.86 Cu13.7 Ta150
• Calculated formula: Al220.844 Cu13.704 Ta149.96
• Title of publication: A new complex intermetallic phase in the system Al‒Cu‒Ta with familiar clusters and packing principles
• Authors of publication: Dshemuchadse, Julia; Bigler, Sandro; Simonov, Arkadiy; Weber, Thomas; Steurer, Walter
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 3
• Pages of publication: 238 - 248
• a: 13.512 ± 0.0018 Å
• b: 13.512 ± 0.0018 Å
• c: 39.022 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6169.9 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 194
• Hermann-Mauguin space group symbol: P 63/m m c
• Hall space group symbol: -P 6c 2c
• Residual factor for all reflections: 0.0296
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0614
• Weighted residual factors for all reflections included in the refinement: 0.0631
• Goodness-of-fit parameter for all reflections included in the refinement: 1.221
• Diffraction radiation wavelength: 0.70926 Å
• Diffraction radiation type: MoKα1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No