Information card for entry 4135468

Structure parameters

• Formula: Al0.9 Bi11 Ca13.94 Lu0.16
• Calculated formula: Al0.9 Bi11 Ca13.94 Lu0.16
• Title of publication: Caught in Action. The Late Rare Earths Thulium and Lutetium Substituting Aluminum Atoms in the Structure of Ca14AlBi11
• Authors of publication: Baranets, Sviatoslav; Bobev, Svilen
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 16.9893 ± 0.0012 Å
• b: 16.9893 ± 0.0012 Å
• c: 22.6602 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6540.6 ± 0.8 ų
• Cell temperature: 200.02 K
• Ambient diffraction temperature: 200.02 K
• Number of distinct elements: 4
• Space group number: 142
• Hermann-Mauguin space group symbol: I 41/a c d :2
• Hall space group symbol: -I 4bd 2c
• Residual factor for all reflections: 0.0398
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0648
• Weighted residual factors for all reflections included in the refinement: 0.0681
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No