Information card for entry 2104357

Structure parameters

• Common name: Bariumvandate
• Formula: Ba O11 V6
• Calculated formula: Ba O11 V6
• Title of publication: Characterization of the pressure-induced second-order phase transition in the mixed-valence vanadate BaV~6~O~11~
• Authors of publication: Friese, Karen; Kanke, Yasushi; Grzechnik, Andrzej
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 3
• Pages of publication: 326 - 333
• a: 5.797 ± 0.003 Å
• b: 5.797 ± 0.003 Å
• c: 13.301 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 387.1 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• 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: 0.0673
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0282
• Weighted residual factors for all reflections included in the refinement: 0.0314
• Goodness-of-fit parameter for all reflections included in the refinement: 1.39
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No