Information card for entry 7133802

Structure parameters

• Formula: Ba3 F2 Ge Se4
• Calculated formula: Ba3 F2 Ge Se4
• 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
• Year of publication: 2024
• a: 9.3777 ± 0.0003 Å
• b: 9.4571 ± 0.0003 Å
• c: 12.3301 ± 0.0005 Å
• α: 90°
• β: 91.668 ± 0.002°
• γ: 90°
• Cell volume: 1093.04 ± 0.07 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.057
• Weighted residual factors for all reflections included in the refinement: 0.062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No