Information card for entry 2008986

Structure parameters

• Chemical name: barium gallium hydrogen diphosphate (2/1/1/2)
• Formula: Ba2 Ga H O14 P4
• Calculated formula: Ba2 Ga H O14 P4
• SMILES: [Ga]123(OP(O)(=O)OP(=O)(O1)O[Ga]1OP(=O)(O)OP(=O)(O1)O2)(OP(=O)(O)OP(=O)(O3)[O-])OP(=O)(OP(=O)(O)[O-])[O-].[Ba+2].[Ba+2].[Ba+2].[Ba+2]
• Title of publication: Ba~2~GaH(P~2~O~7~)~2~
• Authors of publication: Kuei-Fang Hsu; Sue-Lein Wang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 9
• Pages of publication: 1400 - 1401
• a: 4.783 ± 0.0001 Å
• b: 7.5624 ± 0.0002 Å
• c: 8.569 ± 0.0002 Å
• α: 108.231 ± 0.001°
• β: 97.384 ± 0.001°
• γ: 105.236 ± 0.001°
• Cell volume: 276.431 ± 0.012 ų
• Cell temperature: 295 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.018
• Weighted residual factors for all reflections included in the refinement: 0.047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No