Information card for entry 2311577

Structure parameters

• Chemical name: Dibarium dipotassium nonaoxidoditellurate
• Formula: Ba2 K2 O9 Te2
• Calculated formula: Ba2 K2 O9 Te2
• SMILES: [K+].O1[Te]2(O[Te]1([O-])(O2)([O-])[O-])([O-])([O-])[O-].[Ba+2].[Ba+2].[K+]
• Title of publication: Crystal structures of the triple perovskites Ba₂K₂Te₂O₉ and Ba₂KNaTe₂O₉, and redetermination of the double perovskite Ba₂CaTeO₆.
• Authors of publication: Weil, Matthias
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2018
• Journal volume: 74
• Journal issue: Pt 7
• Pages of publication: 1006 - 1009
• a: 6.047 ± 0.003 Å
• b: 6.047 ± 0.003 Å
• c: 16.479 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 521.8 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 194
• Hermann-Mauguin space group symbol: P 63/m m c
• Hall space group symbol: -P 6c 2c
• Residual factor for all reflections: 0.0186
• Residual factor for significantly intense reflections: 0.0153
• Weighted residual factors for significantly intense reflections: 0.0348
• Weighted residual factors for all reflections included in the refinement: 0.0359
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No