Information card for entry 4000767

Structure parameters

• Common name: Thallium Uranyl Fluoroborate
• Formula: B5 F O11 Tl U
• Calculated formula: B5 F O11 Tl U
• Title of publication: Functionalization of Borate Networks by the Incorporation of Fluoride: Syntheses, Crystal Structures, and Nonlinear Optical Properties of Novel Actinide Fluoroborates
• Authors of publication: Wang, Shuao; Alekseev, Evgeny V.; Diwu, Juan; Miller, Hannah M.; Oliver, Allen G.; Liu, Guokui; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.
• Journal of publication: Chemistry of Materials
• Year of publication: 2011
• Journal volume: 23
• Journal issue: 11
• Pages of publication: 2931
• a: 6.4163 ± 0.0011 Å
• b: 6.4663 ± 0.0011 Å
• c: 7.1357 ± 0.0012 Å
• α: 103.275 ± 0.002°
• β: 92.053 ± 0.002°
• γ: 119.58 ± 0.002°
• Cell volume: 246.67 ± 0.07 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0361
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0522
• Weighted residual factors for all reflections included in the refinement: 0.054
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No