Information card for entry 4102581

Structure parameters

• Formula: B3 Be Na O6
• Calculated formula: B3 Be Na O6
• Title of publication: Alkaline Beryllium Borate NaBeB3O6 and ABe2B3O7 (A = K, Rb) as UV Nonlinear Optical Crystals
• Authors of publication: Shichao Wang; Ning Ye; Wei Li; Dan Zhao
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 8779 - 8786
• a: 9.153 ± 0.006 Å
• b: 11.934 ± 0.008 Å
• c: 4.372 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 477.6 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0438
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0741
• Weighted residual factors for all reflections included in the refinement: 0.0763
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No