Information card for entry 1561671

Structure parameters

• Formula: Ba Br0.5 O S0.5 Sb0.5
• Calculated formula: Ba Br0.5 O S0.5 Sb0.5
• Title of publication: Synthesis, crystal structure, and optical properties of Ba2SbO2SX (X = Br, I) oxy-chalcohalides
• Authors of publication: Luo, Mengjia; Bu, Kejun; Liu, Yiting; Wang, Ruiqi; Zhang, Xian; Zheng, Chong; Jin, Qingyuan; Zhang, Xiaolei; Huang, Fuqiang
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2019
• Journal volume: 278
• Pages of publication: 120811
• a: 7.739 ± 0.004 Å
• b: 6.004 ± 0.003 Å
• c: 7.907 ± 0.004 Å
• α: 90°
• β: 93.1 ± 0.015°
• γ: 90°
• Cell volume: 366.9 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0539
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0641
• Weighted residual factors for all reflections included in the refinement: 0.069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No