Information card for entry 1544535

Structure parameters

• Formula: H3 Ni0.5 O6.5 P V
• Calculated formula: H3 Ni0.5 O6.5 P V
• Title of publication: Hydrothermal synthesis and structural characterization of a nickel(II) vanadyl(IV) phosphate hydrate : Ni0.5VOPO4 . 1.5H2O
• Authors of publication: Lii, K. H.; Mao, L. F.
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 1992
• Journal volume: 96
• Pages of publication: 436 - 441
• a: 10.344 ± 0.001 Å
• b: 9.35 ± 0.003 Å
• c: 9.731 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 941.1 ± 0.3 ų
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.78
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No