Information card for entry 1551194

Structure parameters

• Chemical name: Barium oxidotellurate(IV) monohydrate
• Formula: Ba H2 O4 Te
• Calculated formula: Ba H2 O4 Te
• Title of publication: Redetermination of the crystal structure of BaTeO3(H2O), including the localization of the hydrogen atoms
• Authors of publication: Weil, Matthias
• Journal of publication: IUCrData
• Year of publication: 2019
• Journal volume: 4
• Journal issue: 5
• Pages of publication: x190770
• a: 8.6061 ± 0.0002 Å
• b: 7.582 ± 0.0001 Å
• c: 7.7252 ± 0.0002 Å
• α: 90°
• β: 105.88 ± 0.0011°
• γ: 90°
• Cell volume: 484.843 ± 0.018 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.029
• Residual factor for significantly intense reflections: 0.0199
• Weighted residual factors for significantly intense reflections: 0.0388
• Weighted residual factors for all reflections included in the refinement: 0.0415
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes