Information card for entry 2230980

Structure parameters

• Chemical name: undecabarium tetralanthanum tetratricontabromide
• Formula: Ba11 Br34 La4
• Calculated formula: Ba11 Br34 La4
• Title of publication: Ba~11~La~4~Br~34~: a new barium lanthanum bromide
• Authors of publication: Eagleman, Yetta; Wu, Guang; Gundiah, Gautam; Bourret-Courchesne, Edith; Derenzo, Stephen
• Journal of publication: Acta Crystallographica, Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: i53 - i54
• a: 11.909 ± 0.003 Å
• b: 11.909 ± 0.003 Å
• c: 22.888 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3246.1 ± 1.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 87
• Hermann-Mauguin space group symbol: I 4/m
• Hall space group symbol: -I 4
• Residual factor for all reflections: 0.0719
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1111
• Weighted residual factors for all reflections included in the refinement: 0.1178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes