Information card for entry 4329477

Structure parameters

• Formula: Al2 B8 Ba4 Cl3 Na O18
• Calculated formula: Al2 B8 Ba4 Cl3 Na O18
• Title of publication: New Nonlinear Optical Crystal: NaBa4Al2B8O18Cl3
• Authors of publication: Jianxiu Zhang; Shufeng Zhang; Yicheng Wu; Jiyang Wang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 6682 - 6686
• a: 12.048 ± 0.0016 Å
• b: 12.048 ± 0.002 Å
• c: 6.8165 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 989.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 102
• Hermann-Mauguin space group symbol: P 42 n m
• Hall space group symbol: P 4n -2n
• Residual factor for all reflections: 0.0603
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1568
• Weighted residual factors for all reflections included in the refinement: 0.1588
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No