Information card for entry 2015571

Structure parameters

• Chemical name: meta-barium borate
• Formula: B6 Ba3 O12
• Calculated formula: B6 Ba3 O12
• SMILES: [Ba+2].[Ba+2].[O-]B1OB(OB(O1)[O-])[O-].[Ba+2].[O-]B1OB(OB(O1)[O-])[O-]
• Title of publication: Meta-barium borate, II-BaB~2~O~4~, at 163 and 293K
• Authors of publication: Shao-Fang Lu; Zi-Xiang Huang; Jin-Ling Huang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: i73 - i75
• a: 12.53 ± 0.003 Å
• b: 12.53 ± 0.003 Å
• c: 12.657 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1720.9 ± 0.8 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 3
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :H
• Hall space group symbol: R 3 -2"c
• Residual factor for all reflections: 0.0115
• Residual factor for significantly intense reflections: 0.0114
• Weighted residual factors for significantly intense reflections: 0.0271
• Weighted residual factors for all reflections included in the refinement: 0.0271
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes