Information card for entry 7121699

Structure parameters

• Formula: Ba2 H3 N O6
• Calculated formula: Ba2 H3 N O6
• Title of publication: Perfect balance harmony in Ba₂NO₃(OH)₃: a beryllium-free nitrate as a UV nonlinear optical material.
• Authors of publication: Dong, Xuehua; Huang, Ling; Liu, Qingyu; Zeng, Hongmei; Lin, Zhien; Xu, Dingguo; Zou, Guohong
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 45
• Pages of publication: 5792 - 5795
• a: 6.9069 ± 0.0003 Å
• b: 6.9069 ± 0.0003 Å
• c: 3.8028 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 157.109 ± 0.019 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 189
• Hermann-Mauguin space group symbol: P -6 2 m
• Hall space group symbol: P -6 -2
• Residual factor for all reflections: 0.0054
• Residual factor for significantly intense reflections: 0.0054
• Weighted residual factors for significantly intense reflections: 0.0129
• Weighted residual factors for all reflections included in the refinement: 0.0129
• 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