Information card for entry 2201517

Structure parameters

• Common name: barium dihydrogen phosphite hemihydrate
• Chemical name: barium dihydrogen phosphite hemihydrate
• Formula: Ba H5 O6.5 P2
• Calculated formula: Ba H3 O6.5 P2
• Title of publication: Barium dihydrogen phosphite hemihydrate
• Authors of publication: Ouarsal, Rachid; Alaoui Tahiri, Aziz; Lachkar, Mohammed; Slimani, Zineb; El Bali, Brahim; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 9
• Pages of publication: i72 - i73
• a: 11.2351 ± 0.0008 Å
• b: 8.7244 ± 0.0005 Å
• c: 14.0518 ± 0.0009 Å
• α: 90°
• β: 90.493 ± 0.006°
• γ: 90°
• Cell volume: 1377.3 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0481
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections included in the refinement: 0.0858
• Goodness-of-fit parameter for all reflections included in the refinement: 0.929
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes