Information card for entry 2102087

Structure parameters

• Formula: K O3 Ta
• Calculated formula: K O3 Ta
• SMILES: [O][Ta]12([O])([O])O[Ta]3([O])([O])([O])O[Ta]4([O])([O])([O])O[Ta](O1)([O])([O])([O])O[Ta]1([O])([O])([O])O[Ta](O2)([O])([O])([O])O[Ta](O3)([O])([O])([O])O[Ta](O1)(O4)([O])([O])[O].[K+]
• Title of publication: Electron density and atomic displacements in KTaO~3~
• Authors of publication: Zhurova, Elizabeth A.; Ivanov, Yury; Zavodnik, Valery; Tsirelson, Vladimir
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 4
• Pages of publication: 594 - 600
• a: 3.9883 ± 0.0002 Å
• b: 3.9883 ± 0.0002 Å
• c: 3.9883 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 63.44 ± 0.006 ų
• Cell temperature: 298 K
• Number of distinct elements: 3
• Space group number: 221
• Hermann-Mauguin space group symbol: P m -3 m
• Hall space group symbol: -P 4 2 3
• Residual factor for significantly intense reflections: 0.0043
• Weighted residual factors for all reflections included in the refinement: 0.0053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No