Information card for entry 1529416

Structure parameters

• Formula: F5 H12 N3 O2 Ti
• Calculated formula: F4.99758 H12.0019 N3.00048 O2.0004 Ti
• Title of publication: Heat capacity, structural disorder, and the phase transition in cryolite (NH4)3Ti(O2)F5
• Authors of publication: I.N. Flerov; M.V. Gorev; V.D. Fokina; M.S. Molokeev; A.D. Vasiliev; A.F. Bovina; N.M. Laptash
• Journal of publication: Physics of the Solid State
• Year of publication: 2006
• Journal volume: 48
• Journal issue: 8
• Pages of publication: 1559 - 1567
• a: 9.23676 ± 0.00018 Å
• b: 9.23676 ± 0.00018 Å
• c: 9.23676 ± 0.00018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 788.06 ± 0.03 ų
• 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 R(I) for significantly intense reflections: 5.8644
• Method of determination: powder diffraction
• Diffraction radiation type: X-ray
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No