Information card for entry 2104391

Structure parameters

• Formula: B Be2 F2 O3 Tl
• Calculated formula: B Be2 F2 O3 Tl
• SMILES: [Tl+].F[Be].[O-]B([O-])[O-].F[Be]
• Title of publication: Trigonal structures of <i>A</i>Be~2~BO~3~F~2~ (<i>A</i> = Rb, Cs, Tl) crystals
• Authors of publication: McMillen, Colin D.; Hu, Jia; VanDerveer, Donald; Kolis, Joseph W.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: 445 - 449
• a: 4.4387 ± 0.0006 Å
• b: 4.4387 ± 0.0006 Å
• c: 19.942 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 340.26 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 155
• Hermann-Mauguin space group symbol: R 3 2 :H
• Hall space group symbol: R 3 2"
• Residual factor for all reflections: 0.0378
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.0844
• Goodness-of-fit parameter for all reflections included in the refinement: 1.195
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes