Information card for entry 7708515

Structure parameters

• Formula: B2 Ba F2 O6 Zn3
• Calculated formula: B2 Ba F2 O6 Zn3
• Title of publication: BaZn₃(BO₃)₂F₂: a new beryllium-free zincoborate with a KBBF-type structure.
• Authors of publication: Qiu, Haotian; Xia, Ming; Cai, Wenbing; Yang, Zhihua; Liu, Yanli; Mutailipu, Miriding; Pan, Shilie
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 38
• Pages of publication: 13216 - 13219
• a: 4.89 ± 0.0005 Å
• b: 4.89 ± 0.0005 Å
• c: 7.7146 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 159.76 ± 0.03 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 5
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.0102
• Residual factor for significantly intense reflections: 0.0098
• Weighted residual factors for significantly intense reflections: 0.0245
• Weighted residual factors for all reflections included in the refinement: 0.0245
• Goodness-of-fit parameter for all reflections included in the refinement: 1.218
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No