Information card for entry 7018053

Structure parameters

• Formula: Ba4 Ga5 Li Se12
• Calculated formula: Ba4 Ga5 Li Se12
• Title of publication: Ba(2)AgInS(4) and Ba(4)MGa(5)Se(12) (M = Ag, Li): syntheses, structures, and optical properties.
• Authors of publication: Yin, Wenlong; Feng, Kai; Mei, Dajiang; Yao, Jiyong; Fu, Peizhen; Wu, Yicheng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 8
• Pages of publication: 2272 - 2276
• a: 13.5906 ± 0.0019 Å
• b: 13.5906 ± 0.0019 Å
• c: 6.5148 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1203.3 ± 0.3 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 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: 0.0358
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0639
• Weighted residual factors for all reflections included in the refinement: 0.066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No