Information card for entry 2021004

Structure parameters

• Chemical name: Octabismuth undecacalcium diindium
• Formula: Bi8.27 Ca11 In1.73
• Calculated formula: Bi8.282 Ca11 In1.718
• Title of publication: On the effect of Ga and In substitutions in the Ca~11~Bi~10~ and Yb~11~Bi~10~ bismuthides crystallizing in the tetragonal Ho~11~Ge~10~ structure type
• Authors of publication: Ovchinnikov, Alexander; Bobev, Svilen
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 3
• a: 12.3534 ± 0.0019 Å
• b: 12.3534 Å
• c: 17.433 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2660.4 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 139
• Hermann-Mauguin space group symbol: I 4/m m m
• Hall space group symbol: -I 4 2
• Residual factor for all reflections: 0.0585
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0717
• Weighted residual factors for all reflections included in the refinement: 0.0782
• 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: Yes