Information card for entry 7030761

Structure parameters

• Formula: Cs2 H2 Hg3 I8 O
• Calculated formula: Cs2 H2 Hg3 I8 O
• Title of publication: Exploration of new second-order nonlinear optical materials of the Cs-Hg-Br-I system.
• Authors of publication: Wu, Qi; Huang, Yin; Meng, Xianggao; Zhong, Cheng; Chen, Xingguo; Qin, Jingui
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 23
• Pages of publication: 8899 - 8904
• a: 7.43 ± 0.003 Å
• b: 21.644 ± 0.007 Å
• c: 7.671 ± 0.003 Å
• α: 90°
• β: 107.962 ± 0.004°
• γ: 90°
• Cell volume: 1173.5 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 8
• Hermann-Mauguin space group symbol: C 1 m 1
• Hall space group symbol: C -2y
• Residual factor for all reflections: 0.0613
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No