Information card for entry 2021887

Structure parameters

• Common name: pentafluorooxovanadium
• Chemical name: pentafluorooxovanadium
• Formula: F5 H12 N3 O V
• Calculated formula: F6 N3 V
• Title of publication: Orientational disorder and phase transitions in ammonium oxofluorovanadates, (NH4)3VOF5 and (NH4)3VO2F4
• Authors of publication: Udovenko, Anatoly A.; Pogoreltsev, Evgeny I.; Marchenko, Yuri V.; Laptash, Natalia M.
• Journal of publication: Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 6
• Pages of publication: 1085
• a: 6.2986 ± 0.0003 Å
• b: 9.1638 ± 0.0004 Å
• c: 18.9044 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1091.15 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 71
• Hermann-Mauguin space group symbol: I m m m
• Hall space group symbol: -I 2 2
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1356
• Weighted residual factors for all reflections included in the refinement: 0.1416
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No