Information card for entry 4003882

Structure parameters

• Formula: Br N Zn2
• Calculated formula: Br N Zn2
• Title of publication: Halonitrides Zn2NX (X=Cl,Br): Novel Mid-Infrared Nonlinear Optical Materials
• Authors of publication: Zhao, Xin; Lin, Chensheng; Chen, Jindong; Luo, Min; Xu, Feng; Yang, Shunda; Shi, Shuangshuang; Li, Bingxuan; Ye, Ning
• Journal of publication: Chemistry of Materials
• Year of publication: 2021
• Journal volume: 33
• Journal issue: 4
• Pages of publication: 1462 - 1470
• a: 6.222 ± 0.007 Å
• b: 7.65 ± 0.008 Å
• c: 6.094 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 290.1 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.0319
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.0667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No