Information card for entry 2017471

Structure parameters

• Chemical name: Potasium barium magnesium borate fluoride
• Formula: B14 Ba7 F5 K Mg2 O28
• Calculated formula: B14 Ba6.999 F5 K1.001 Mg2 O28
• Title of publication: KBa~7~Mg~2~B~14~O~28~F~5~, a new borate with an unusual heptaborate group and double perovskite unit
• Authors of publication: Li, R. K.; Chen, Peng
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: i7 - i8
• a: 16.638 ± 0.003 Å
• b: 13.609 ± 0.002 Å
• c: 15.214 ± 0.003 Å
• α: 90°
• β: 121.309 ± 0.002°
• γ: 90°
• Cell volume: 2943.2 ± 0.9 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0255
• Residual factor for significantly intense reflections: 0.0213
• Weighted residual factors for significantly intense reflections: 0.0397
• Weighted residual factors for all reflections included in the refinement: 0.0411
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes