Information card for entry 7017667

Structure parameters

• Formula: Br Hg2 I3
• Calculated formula: Br Hg2 I3
• Title of publication: Synthesis, crystal structure and properties of a new candidate for nonlinear optical material in the IR region: Hg2BrI3.
• Authors of publication: Li, Yanjun; Wang, Meng; Zhu, Tianxiang; Meng, Xianggao; Zhong, Cheng; Chen, Xingguo; Qin, Jingui
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 3
• Pages of publication: 763 - 766
• a: 4.698 ± 0.001 Å
• b: 7.2246 ± 0.0006 Å
• c: 13.52 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 458.88 ± 0.11 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0718
• Residual factor for significantly intense reflections: 0.0716
• Weighted residual factors for significantly intense reflections: 0.1885
• Weighted residual factors for all reflections included in the refinement: 0.189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No