Information card for entry 7123276

Structure parameters

• Formula: Ba Li Sb Se3
• Calculated formula: Ba Li Sb Se3
• Title of publication: ABaSbQ3 (A = Li, Na; Q = S, Se): diverse arrangement modes of isolated SbQ3 ligands regulating the magnitudes of birefringences
• Authors of publication: Abudurusuli, Ailijiang; Wu, Kui; Tudi, Abudukadi; Yang, Zhihua; Pan, Shilie
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 12.117 ± 0.004 Å
• b: 12.644 ± 0.005 Å
• c: 9.102 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1394.5 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 55
• Hermann-Mauguin space group symbol: P b a m
• Hall space group symbol: -P 2 2ab
• Residual factor for all reflections: 0.026
• Residual factor for significantly intense reflections: 0.0198
• Weighted residual factors for significantly intense reflections: 0.039
• Weighted residual factors for all reflections included in the refinement: 0.0415
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No