Information card for entry 4337791

Structure parameters

• Formula: B7 Ba12 F4 Li O21
• Calculated formula: B7 Ba12 F4 Li O21
• Title of publication: Two New Barium Borate Fluorides ABa12(BO3)7F4 (A = Li and Na).
• Authors of publication: Zhao, Jing; Li, R. K.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 5
• Pages of publication: 2501 - 2505
• a: 13.5709 ± 0.0006 Å
• b: 13.5709 ± 0.0006 Å
• c: 14.9908 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2760.8 ± 0.3 ų
• Cell temperature: 301 K
• Ambient diffraction temperature: 301 K
• Number of distinct elements: 5
• Space group number: 140
• Hermann-Mauguin space group symbol: I 4/m c m
• Hall space group symbol: -I 4 2c
• Residual factor for all reflections: 0.0365
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0764
• Weighted residual factors for all reflections included in the refinement: 0.0783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.32
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No