Information card for entry 7240511

Structure parameters

• Formula: O5 Pb1.5 Sb5 Se8 Sr4
• Calculated formula: O5 Pb1.5 Sb5 Se8 Sr4
• Title of publication: Sr4Pb1.5Sb5O5Se8: a new mid-infrared nonlinear optical material with a moderate SHG response
• Authors of publication: Wang, Yang; Luo, Mengjia; Zhao, Pei; Che, Xiangli; Cao, Yunzhen; Huang, Fuqiang
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 18.8403 ± 0.0015 Å
• b: 4.2335 ± 0.0003 Å
• c: 15.3364 ± 0.0012 Å
• α: 90°
• β: 95.068 ± 0.003°
• γ: 90°
• Cell volume: 1218.46 ± 0.16 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0572
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0868
• Weighted residual factors for all reflections included in the refinement: 0.0978
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No