Information card for entry 2216715

Structure parameters

• Chemical name: tribarium dichromium octaoxide
• Formula: Ba3 Cr2 O8
• Calculated formula: Ba3 Cr2 O8
• SMILES: [Ba+2].[Ba+2].[O-][Cr](=O)([O-])[O-].[Ba+2].[O-][Cr](=O)([O-])[O-]
• Title of publication: Barium chromium oxide, Ba~3~Cr~2~O~8~, as grown by the traveling solvent floating-zone technique
• Authors of publication: Aczel, Adam A.; Dabkowska, Hanna A.; Britten, James F.; Harrington, Laura E.; Luke, Graeme M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: i196 - i196
• a: 5.745 ± 0.0002 Å
• b: 5.745 ± 0.0002 Å
• c: 21.3883 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 611.35 ± 0.04 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 166
• Hermann-Mauguin space group symbol: R -3 m :H
• Hall space group symbol: -R 3 2"
• Residual factor for all reflections: 0.0282
• Residual factor for significantly intense reflections: 0.0209
• Weighted residual factors for significantly intense reflections: 0.0488
• Weighted residual factors for all reflections included in the refinement: 0.0511
• 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