Information card for entry 1554079

Structure parameters

• Formula: B8 Ba10 F K5 O24
• Calculated formula: B8 Ba10.02 F K4.98 O24
• Title of publication: K5Ba10(BO3)8F: A New Potassium Barium Borate Fluoride with a Perovskite-Like Structure
• Authors of publication: Liu, Lili; Yang, Yun; Jing, Qun; Dong, Xiaoyu; Yang, Zhihua; Pan, Shilie; Wu, Kui
• Journal of publication: The Journal of Physical Chemistry C
• Year of publication: 2016
• Journal volume: 120
• Journal issue: 33
• Pages of publication: 18763
• a: 15.2929 ± 0.0017 Å
• b: 15.2929 ± 0.0017 Å
• c: 22.699 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4597.5 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0381
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0936
• Weighted residual factors for all reflections included in the refinement: 0.0965
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No