Information card for entry 7708031

Structure parameters

• Formula: Ba3 Se5 Si
• Calculated formula: Ba3 Se5 Si
• Title of publication: Design and synthesis of Ba₃SiSe₅ with suitable birefringence modulated via M^IV atoms in the Ba-M^IV-Q (M^IV = Si, Ge; Q = S, Se) system.
• Authors of publication: Cheng, Huanhuan; Tudi, Abudukadi; Wang, Peng; Zhang, Kewang; Yang, Zhihua; Pan, Shilie
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 34
• Pages of publication: 11999 - 12005
• a: 12.436 ± 0.003 Å
• b: 9.889 ± 0.002 Å
• c: 8.9564 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1101.5 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• 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: 0.044
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.0924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No