Information card for entry 2200255

Structure parameters

• Common name: barium oxide iodide
• Formula: Ba4 I6 O
• Calculated formula: Ba4 I6 O
• SMILES: [Ba+2].[I-].[Ba+2].[I-].[O-2].[Ba+2].[I-].[Ba+2].[I-].[I-].[I-]
• Title of publication: Barium oxide iodide
• Authors of publication: Marten G. Barker; Francesconi, M. Grazia; Claire Wilson
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 6
• Pages of publication: i41 - i43
• a: 10.838 ± 0.004 Å
• b: 10.838 ± 0.004 Å
• c: 8.41 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 855.5 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 186
• Hermann-Mauguin space group symbol: P 63 m c
• Hall space group symbol: P 6c -2c
• Residual factor for all reflections: 0.0245
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for all reflections included in the refinement: 0.0506
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes