Information card for entry 7208608

Structure parameters

• Formula: Ba Cu3 H2 O10 V2
• Calculated formula: Ba Cu3 H3.9996 O9.9998 V1.9998
• Title of publication: β-Vesignieite BaCu3V2O8(OH)2: a structurally perfect S = 1/2 kagomé antiferromagnet
• Authors of publication: Yoshida, Hiroyuki; Michiue, Yuichi; Takayama-Muromachi, Eiji; Isobe, Masaaki
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2012
• Journal volume: 22
• Journal issue: 36
• Pages of publication: 18793
• a: 5.9295 ± 0.001 Å
• b: 5.9295 ± 0.001 Å
• c: 20.79 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 633.03 ± 0.19 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• 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: 0.0381
• Residual factor for significantly intense reflections: 0.0217
• Weighted residual factors for significantly intense reflections: 0.0322
• Weighted residual factors for all reflections included in the refinement: 0.0337
• Goodness-of-fit parameter for significantly intense reflections: 1.83
• Goodness-of-fit parameter for all reflections included in the refinement: 1.69
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No