Information card for entry 2020712

Structure parameters

• Common name: pentafluorooxotitanium
• Chemical name: pentafluorooxotitanium
• Formula: F5 H12 N3 O2 Ti
• Calculated formula: F4.9992 H11.9976 N3 O1.9992 Ti
• Title of publication: Crystallographic features of ammonium fluoroelpasolites: dynamic orientational disorder in crystals of (NH~4~)~3~HfF~7~ and (NH~4~)~3~Ti(O~2~)F~5~
• Authors of publication: Udovenko, Anatoly A.; Karabtsov, Alexander A.; Laptash, Natalia M.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 1
• Pages of publication: 1 - 9
• a: 9.2327 ± 0.0001 Å
• b: 9.2327 ± 0.0001 Å
• c: 9.2327 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 787.021 ± 0.015 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 225
• Hermann-Mauguin space group symbol: F m -3 m
• Hall space group symbol: -F 4 2 3
• Residual factor for all reflections: 0.014
• Residual factor for significantly intense reflections: 0.014
• Weighted residual factors for significantly intense reflections: 0.04
• Weighted residual factors for all reflections included in the refinement: 0.04
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes