Information card for entry 7210786

Structure parameters

• Formula: Br3 Hg2 I
• Calculated formula: Br3 Hg2 I
• Title of publication: Hg2Br3I: a new mixed halide nonlinear optical material in the infrared region
• Authors of publication: Huang, Yin; Meng, Xianggao; Kang, Lei; Li, Yanjun; Zhong, Cheng; Lin, Zheshuai; Chen, Xingguo; Qin, Jingui
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 20
• Pages of publication: 4196
• a: 4.6628 ± 0.0017 Å
• b: 7.013 ± 0.003 Å
• c: 13.081 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 427.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0407
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0983
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No