Information card for entry 2008133

Structure parameters

• Common name: ammonium oxovanadium(IV) phosphate ammonia
• Chemical name: ammonium oxovanadium(IV) phosphate ammonia
• Formula: H7 N2 O5 P V
• Calculated formula: H7 N2 O5 P V
• SMILES: [V]1(=O)([NH3])OP([O-])(=O)O[V]2(=O)([NH3])OP(=O)(O1)O[V]1(=O)([NH3])OP(=O)(O2)O[V](=O)([NH3])OP(=O)(O1)[O-].[NH4+].[NH4+].[NH4+].[NH4+]
• Title of publication: NH~4~VO(NH~3~)PO~4~
• Authors of publication: Fratzky, Dietmar; Worzala, Horst; Goetze, Thomas; Meisel, Manfred
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 2
• Pages of publication: 156 - 157
• a: 6.777 ± 0.001 Å
• b: 4.915 ± 0.001 Å
• c: 8.455 ± 0.002 Å
• α: 90°
• β: 91.11 ± 0.03°
• γ: 90°
• Cell volume: 281.57 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.05
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for all reflections included in the refinement: 0.07
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No