Information card for entry 1548109

Structure parameters

• Chemical name: Barium Fluoride Orthoborate
• Formula: B7.25 Ba12 F2.25 O21.75
• Calculated formula: B7.195 Ba12 F2.513 O21.582
• Title of publication: New fluoride borate with ‘anti-zeolite’ structure: A possible link to Ba 3 (BO 3 ) 2
• Authors of publication: Rashchenko, Sergey V.; Bekker, Tatyana B.; Bakakin, Vladimir V.; Seryotkin, Yurii V.; Simonova, Ekaterina A.; Goryainov, Sergey V.
• Journal of publication: Journal of Alloys and Compounds
• Year of publication: 2017
• Journal volume: 694
• Pages of publication: 1196
• a: 13.60119 ± 0.00016 Å
• b: 13.65014 ± 0.00016 Å
• c: 14.87279 ± 0.00015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2761.25 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 55
• Hermann-Mauguin space group symbol: P b a m
• Hall space group symbol: -P 2 2ab
• Residual factor for all reflections: 0.0504
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No