Information card for entry 7233827

Structure parameters

• Formula: Br3 Cs Hg
• Calculated formula: Br3 Cs Hg
• Title of publication: A promising new nonlinear optical crystal with high laser damage threshold for application in the IR region: synthesis, crystal structure and properties of noncentrosymmetric CsHgBr3
• Authors of publication: Songwei Lv; Qi Wu; Xianggao Meng; Lei Kang; Cheng Zhong; Zheshuai Lin; Zhanggui Hu; Xingguo Chen; Jingui Qin
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2014
• Journal volume: 2
• Pages of publication: 6796 - 6801
• a: 8.0479 ± 0.0019 Å
• b: 8.0479 ± 0.0019 Å
• c: 9.904 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 555.5 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 145
• Hermann-Mauguin space group symbol: P 32
• Hall space group symbol: P 32
• Residual factor for all reflections: 0.1143
• Residual factor for significantly intense reflections: 0.0687
• Weighted residual factors for significantly intense reflections: 0.1582
• Weighted residual factors for all reflections included in the refinement: 0.1932
• Goodness-of-fit parameter for all reflections included in the refinement: 0.884
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No