Information card for entry 4504285

Structure parameters

• Formula: B2 Ba O4
• Calculated formula: B2 Ba O4
• Title of publication: Optical Floating Zone Growth of β-BaB2O4from a LiBa2B5O10-Based Solvent
• Authors of publication: Pan, Shilie; Smit, Jared P.; Lanier, Courtney H.; Marvel, Michael R.; Marks, Laurence D.; Poeppelmeier, Kenneth R.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2007
• Journal volume: 7
• Journal issue: 8
• Pages of publication: 1561
• a: 8.3824 ± 0.0003 Å
• b: 8.3824 ± 0.0003 Å
• c: 8.3824 ± 0.0003 Å
• α: 96.86°
• β: 96.86°
• γ: 96.86°
• Cell volume: 575.22 ± 0.04 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 3
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :R
• Hall space group symbol: P 3* -2n
• Residual factor for all reflections: 0.0214
• Residual factor for significantly intense reflections: 0.0209
• Weighted residual factors for significantly intense reflections: 0.0517
• Weighted residual factors for all reflections included in the refinement: 0.0518
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No