Information card for entry 7040176

Structure parameters

• Formula: Ba3 Cd S8 Sn2
• Calculated formula: Ba3 Cd1.005 S8 Sn2
• Title of publication: BaCdSnS4 and Ba3CdSn2S8: syntheses, structures, and non-linear optical and photoluminescence properties.
• Authors of publication: Zhen, Ni; Wu, Kui; Wang, Ying; Li, Qiang; Gao, Wenhui; Hou, Dianwei; Yang, Zhihua; Jiang, Huaidong; Dong, Yongjun; Pan, Shilie
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 26
• Pages of publication: 10681 - 10688
• a: 14.679 ± 0.003 Å
• b: 14.679 ± 0.003 Å
• c: 14.679 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3162.9 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 220
• Hermann-Mauguin space group symbol: I -4 3 d
• Hall space group symbol: I -4bd 2c 3
• Residual factor for all reflections: 0.0318
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0469
• Weighted residual factors for all reflections included in the refinement: 0.0487
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No