Information card for entry 7033349

Structure parameters

• Formula: Ba4 Ga4 Se12 Sn
• Calculated formula: Ba4 Ga4 Se12 Sn
• Title of publication: Syntheses, structures, and optical properties of Ba4Ga4SnSe12 and Ba6Ga2SnSe11.
• Authors of publication: Yin, Wenlong; Lin, Zuohong; Kang, Lei; Kang, Bin; Deng, Jianguo; Lin, Zheshuai; Yao, Jiyong; Wu, Yicheng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 5
• Pages of publication: 2259 - 2266
• a: 13.6066 ± 0.0019 Å
• b: 13.6066 ± 0.0019 Å
• c: 6.5095 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1205.2 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.0477
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No