Information card for entry 6000494

Structure parameters

• Common name: Vanadium phosphate
• Chemical name: Hemiammoniumvanadyl(IV, V)phosphatesesquihydrate
• Formula: H5 N0.5 O6.5 P V
• Calculated formula: H3.75 N0.5 O6.85 P V
• Title of publication: A Hydrothermal Investigation of the 1/2V~2~O~5~-H~2~C~2~O~4~ / H~3~PO~4~ / NH~4~OH System: Synthesis and Structures of (NH~4~)VOPO~4~1.5H~2~O, (NH~4~) (NH~4~)~0.5~VOPO~4~1.5H~2~O, (NH~4~)~2~[VO(H~2~O)~3~]~2~[VO(H~2~O)][VO(PO~4~)~2~]~2~3H~2~O, and (NH~4~)~2~[VO(HPO~4~)]~2~(C~2~O~4~)H~2~O
• Authors of publication: Junghwan Do; Ranko P. Bontchev; Allan J. Jacobson
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 3230 - 3237
• a: 6.9669 ± 0.0006 Å
• b: 17.6627 ± 0.0015 Å
• c: 8.9304 ± 0.0008 Å
• α: 90°
• β: 105.347 ± 0.001°
• γ: 90°
• Cell volume: 1059.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for all reflections: 0.136
• Weighted residual factors for significantly intense reflections: 0.1349
• Goodness-of-fit parameter for all reflections: 1.337
• Goodness-of-fit parameter for significantly intense reflections: 1.368
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No