Information card for entry 7123275

Structure parameters

• Formula: Ba Na Sb Se3
• Calculated formula: Ba Na Sb Se3
• SMILES: [Ba+2].[Na+].[Se-][Sb]([Se-])[Se-]
• 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: 6.291 ± 0.011 Å
• b: 14.8 ± 0.02 Å
• c: 8.072 ± 0.013 Å
• α: 90°
• β: 105.484 ± 0.019°
• γ: 90°
• Cell volume: 724 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0415
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0542
• Weighted residual factors for all reflections included in the refinement: 0.0569
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No