Information card for entry 7133803

Structure parameters

• Formula: Ba2 F2 Ge S3
• Calculated formula: Ba2 F2 Ge S3
• Title of publication: Ba₂GeF₂Q₃ (Q = S, Se) and Ba₃GeF₂Se₄: new F-based chalcohalides with enhanced birefringence.
• Authors of publication: Li, Kaixuan; Wu, Hongping; Yu, Hongwei; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 87
• Pages of publication: 12734 - 12737
• a: 12.626 ± 0.014 Å
• b: 18.669 ± 0.018 Å
• c: 6.316 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1489 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.095
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.1245
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No