Information card for entry 2102907

Structure parameters

• Formula: Ba7 Br Co6 O17
• Calculated formula: Ba6.9998 Br1.004 Co6 O16.9998
• Title of publication: New oxybromide cobaltites with layered perovskite-related structures: 18<i>R</i>-Ba~6~Co~5~BrO~14~ and 14<i>H</i>-Ba~7~Co~6~BrO~17~
• Authors of publication: Kauffmann, Matthieu; Roussel, Pascal
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: 589 - 596
• a: 5.6611 ± 0.0001 Å
• b: 5.6611 Å
• c: 33.5672 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 931.64 ± 0.03 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 194
• Hermann-Mauguin space group symbol: P 63/m m c
• Hall space group symbol: -P 6c 2c
• Residual factor for all reflections: 0.0534
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.0653
• Weighted residual factors for all reflections included in the refinement: 0.066
• Goodness-of-fit parameter for all reflections included in the refinement: 4.7
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No