Information card for entry 2106652

Structure parameters

• Common name: Ammonium heptafluorotitanate
• Chemical name: Ammonium heptafluorotitanate
• Formula: F7 H12 N3 Ti
• Calculated formula: F7 H12 N3 Ti
• Title of publication: Reconstructive phase transition in (NH~4~)~3~TiF~7~ accompained by the ordering TiF~6~ of octahera
• Authors of publication: Molokeev, Maxim; Misjul, Sergey V.; Flerov, Igor N.; Laptash, Natalia M.
• Journal of publication: Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 6
• Pages of publication: 924 - 931
• a: 11.9597 ± 0.0019 Å
• b: 11.9597 ± 0.0019 Å
• c: 11.6747 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1669.9 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 128
• Hermann-Mauguin space group symbol: P 4/m n c
• Hall space group symbol: -P 4 2n
• Residual factor for all reflections: 0.0999
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1204
• Weighted residual factors for all reflections included in the refinement: 0.1524
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes