Information card for entry 1564220

Structure parameters

• Chemical name: Barium bis[tetrafluoridobromate(III)]
• Formula: Ba Br2 F8
• Calculated formula: Ba Br2 F8
• SMILES: [Ba+2].[F-][Br](F)(F)F.[F-][Br](F)(F)F
• Title of publication: Barium bis[tetrafluoridobromate(III)]
• Authors of publication: Ivlev, Sergei I.; Kraus, Florian
• Journal of publication: IUCrData
• Year of publication: 2021
• Journal volume: 6
• Journal issue: 7
• Pages of publication: x210735
• a: 9.5823 ± 0.0006 Å
• b: 9.5823 ± 0.0006 Å
• c: 8.038 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 738.05 ± 0.12 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0538
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1239
• Weighted residual factors for all reflections included in the refinement: 0.1268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes