Information card for entry 4338882

Structure parameters

• Formula: Cd Hg6 I6 Sb4
• Calculated formula: Cd0.99 Hg6 I6 Sb4
• Title of publication: Synthesis, crystal and band structures, and properties of a new mixed three-dimensional framework metal pnictidehalide semiconductor, (Hg6Sb4)(CdI6).
• Authors of publication: Zou, Jian-Ping; Li, Yan; Zhang, Zhang-Jing; Guo, Guo-Cong; Liu, Xi; Wang, Ming-Sheng; Cai, Li-Zhen; Lu, Ying-Bing; Huang, Jin-Shun
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 18
• Pages of publication: 7321 - 7325
• a: 13.3818 ± 0.0009 Å
• b: 13.3818 ± 0.0009 Å
• c: 13.3818 ± 0.0009 Å
• α: 90.93°
• β: 90.93°
• γ: 90.93°
• Cell volume: 2395.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :R
• Hall space group symbol: -P 3* 2n
• Residual factor for all reflections: 0.1081
• Residual factor for significantly intense reflections: 0.0655
• Weighted residual factors for significantly intense reflections: 0.1247
• Weighted residual factors for all reflections included in the refinement: 0.1329
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No