Information card for entry 2103915

Structure parameters

• Formula: K1.886 Na0.114 O10 P2 Ti2
• Calculated formula: K1.886 Na0.114 O10 P2 Ti2
• Title of publication: Cation movement and phase transitions in KTP isostructures; X-ray study of sodium-doped KTP at 10.5K
• Authors of publication: Norberg, Stefan T.; Sobolev, Alexander N.; Streltsov, Victor A.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 3
• Pages of publication: 353 - 360
• a: 12.7919 ± 0.0005 Å
• b: 6.3798 ± 0.0004 Å
• c: 10.588 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 864.08 ± 0.09 ų
• Cell temperature: 10.5 ± 0.3 K
• Ambient diffraction temperature: 10.5 ± 0.3 K
• Number of distinct elements: 5
• 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: 0.017
• Residual factor for significantly intense reflections: 0.017
• Weighted residual factors for all reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.037
• Weighted residual factors for all reflections included in the refinement: 0.037
• Goodness-of-fit parameter for all reflections: 1.182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.182
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes