Information card for entry 2104990

Structure parameters

• Common name: ammonium oxopentafluorotitanate
• Chemical name: ammonium oxopentafluorotitanate
• Formula: F5 H12 N3 O Ti
• Calculated formula: F5.1 H11.84 N3 O1.02 Ti1.02
• Title of publication: Dynamic orientational disorder in crystals of fluoroelpasolites, structural refinement of (NH~4~)~3~AlF~6~, (NH~4~)~3~TiOF~5~ and Rb~2~KTiOF~5~
• Authors of publication: Udovenko, Anatoly A.; Laptash, Natalia M.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: 447 - 454
• a: 9.1144 ± 0.0006 Å
• b: 9.1144 ± 0.0006 Å
• c: 9.1144 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 757.15 ± 0.09 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 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: 0.021
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.0625
• Weighted residual factors for all reflections included in the refinement: 0.0625
• Goodness-of-fit parameter for all reflections included in the refinement: 1.161
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes