Information card for entry 2012343

Structure parameters

• Chemical name: Tetracalcium iridium hexaoxide
• Formula: Ca4 Ir O6
• Calculated formula: Ca4 Ir O6
• SMILES: [Ir]([O-])([O-])([O-])([O-])([O-])[O-].[Ca+2].[Ca+2].[Ca+2].[Ca+2]
• Title of publication: Ca~4~IrO~6~, Ca~3~MgIrO~6~ and Ca~3~ZnIrO~6~
• Authors of publication: Davis, Matthew J.; Smith, Mark D.; zur Loye, Hans-Conrad
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 11
• Pages of publication: 1234 - 1236
• a: 9.303 ± 0.0005 Å
• b: 9.303 ± 0.0005 Å
• c: 11.0864 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 830.94 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.026
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for all reflections included in the refinement: 0.061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes