Information card for entry 4030606

Structure parameters

• Formula: Ba2 Ca Ir O6
• Calculated formula: Ba2 Ca Ir O6
• SMILES: [Ba+2].[O-][Ir]([O-])([O-])([O-])([O-])[O-].[Ca+2].[Ba+2]
• Title of publication: Stabilization of six-coordinated iridium(VI) in a perovskite oxygen lattice Ba2MIrO6 (M = Ca, Sr)
• Authors of publication: Jung, D.-K.; Gravereau, P.; Demazeau, G.
• Journal of publication: European Journal of Solid State and Inorganic Chemistry
• Year of publication: 1993
• Journal volume: 30
• Pages of publication: 1025 - 1037
• a: 8.3639 ± 0.0006 Å
• b: 8.3639 ± 0.0006 Å
• c: 8.3639 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 585.1 ± 0.07 ų
• Ambient diffraction temperature: 298 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 R(I) for significantly intense reflections: 0.022
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No