Information card for entry 2102204

Structure parameters

• Formula: Ba0.06 K0.88 O5 P Ti
• Calculated formula: Ba0.0615 K0.8775 O5 P Ti
• Title of publication: Dopant positions in strontium/chromium- and barium-doped KTP, determined with synchrotron X-radiation
• Authors of publication: Norberg, Stefan T.; Streltsov, Victor A.; Svensson, Göran; Albertsson, Jörgen
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 6
• Pages of publication: 980 - 987
• a: 12.851 ± 0.006 Å
• b: 6.418 ± 0.003 Å
• c: 10.62 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 875.9 ± 0.7 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 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: 0.033
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for all reflections: 0.051
• Weighted residual factors for all reflections included in the refinement: 0.045
• Goodness-of-fit parameter for all reflections: 3.34
• Goodness-of-fit parameter for all reflections included in the refinement: 2.97
• Diffraction radiation wavelength: 0.75 Å
• Diffraction radiation type: synchrotronx-rayverticalwiggler
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No