Information card for entry 2311579

Structure parameters

• Chemical name: Dibarium calcium hexaoxidotellurate
• Formula: Ba2 Ca O6 Te
• Calculated formula: Ba2 Ca O6 Te
• SMILES: [Ba+2].[Ca+2].[Ba+2].[O-][Te]([O-])([O-])([O-])([O-])[O-]
• 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: 8.3536 ± 0.0014 Å
• b: 8.3536 ± 0.0014 Å
• c: 8.3536 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 582.94 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 225
• Hermann-Mauguin space group symbol: F m -3 m
• Hall space group symbol: -F 4 2 3
• Residual factor for all reflections: 0.0194
• Residual factor for significantly intense reflections: 0.0194
• Weighted residual factors for significantly intense reflections: 0.0486
• Weighted residual factors for all reflections included in the refinement: 0.0486
• Goodness-of-fit parameter for all reflections included in the refinement: 1.325
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No