Information card for entry 2015106

Structure parameters

• Chemical name: potassium titanyl phosphate
• Formula: K2 O10 P2 Ti2
• Calculated formula: K2 O10 P2 Ti2
• Title of publication: K-site splitting in KTiOPO~4~ at room temperature
• Authors of publication: Stefan T. Norberg; Nobuo Ishizawa
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: i99 - i102
• a: 12.816 ± 0.003 Å
• b: 6.4045 ± 0.0005 Å
• c: 10.5889 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 869.1 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.02
• Residual factor for significantly intense reflections: 0.019
• Weighted residual factors for all reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.025
• Weighted residual factors for all reflections included in the refinement: 0.025
• Goodness-of-fit parameter for all reflections: 1.016
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.75052 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes