Information card for entry 2011883

Structure parameters

• Chemical name: barium oxo-aluminate hydride
• Formula: Al Ba3 H O4
• Calculated formula: Al Ba3 H O4
• SMILES: [Ba+2].[Ba+2].[Ba+2].[O-][Al]([O-])([O-])[O-].[H-]
• Title of publication: Barium oxoaluminate hydride
• Authors of publication: Zumdick, Markus; Althoff, Gerhard; Röhr, Caroline
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 4
• Pages of publication: 339 - 340
• a: 10.4889 ± 0.0008 Å
• b: 8.1503 ± 0.0009 Å
• c: 7.244 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 619.27 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0251
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for all reflections included in the refinement: 0.0543
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes