Information card for entry 4345450

Structure parameters

• Formula: B4 Ba2 H0 O9
• Calculated formula: B4 Ba2 O9
• Title of publication: Facile Syntheses of Ba2[B4O7(OH)2] and Na[B5O7(OH)2](H2O) Borate Salts Exhibiting Nonlinear Optical Activity in the Ultraviolet.
• Authors of publication: Wu, Chao; Li, Longhua; Song, Junling; Yang, Gang; Humphrey, Mark G.; Zhang, Chi
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 3
• Pages of publication: 1340 - 1348
• a: 6.8245 ± 0.0005 Å
• b: 6.8245 ± 0.0005 Å
• c: 13.7181 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 553.31 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 152
• Hermann-Mauguin space group symbol: P 31 2 1
• Hall space group symbol: P 31 2"
• Residual factor for all reflections: 0.0814
• Residual factor for significantly intense reflections: 0.0706
• Weighted residual factors for significantly intense reflections: 0.1449
• Weighted residual factors for all reflections included in the refinement: 0.1503
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No