Information card for entry 2300283

Structure parameters

• Chemical name: Titanium oxydifluoride
• Formula: F2 O Ti
• Calculated formula: F2 O0.999999 Ti
• Title of publication: Hexagonal and cubic TiOF~2~
• Authors of publication: Shian, Samuel; Sandhage, Kenneth H.
• Journal of publication: Journal of Applied Crystallography
• Year of publication: 2010
• Journal volume: 43
• Journal issue: 4
• Pages of publication: 757 - 761
• a: 5.3325 ± 0.0001 Å
• b: 5.3325 ± 0.0001 Å
• c: 13.2321 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 325.853 ± 0.013 ų
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 3
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for significantly intense reflections: 9.7
• Weighted residual factors for all reflections included in the refinement: 12.64
• Goodness-of-fit parameter for all reflections included in the refinement: 1.64
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.5406 Å
• Diffraction radiation type: CuKα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No