Information card for entry 1569377

Structure parameters

• Chemical name: Barium bis(tetrafluoridoborate) trihydrate
• Formula: B2 Ba F8 H6 O3
• Calculated formula: B2 Ba F8 H6 O3
• Title of publication: Low-temperature modification of Ba(BF4)2(H2O)3
• Authors of publication: Goreshnik, Evgeny; Vakulka, Andrii; Tavčar, Gašper
• Journal of publication: IUCrData
• Year of publication: 2023
• Journal volume: 8
• Journal issue: 6
• Pages of publication: x230488
• a: 7.055 ± 0.0004 Å
• b: 7.1706 ± 0.0003 Å
• c: 9.4182 ± 0.0006 Å
• α: 90°
• β: 109.295 ± 0.007°
• γ: 90°
• Cell volume: 449.69 ± 0.05 ų
• Cell temperature: 149.99 ± 0.1 K
• Ambient diffraction temperature: 149.99 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0403
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.0892
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No