Information card for entry 7228468

Structure parameters

• Formula: Ba Fe1.95 Se3
• Calculated formula: Ba Fe1.95 Se3
• Title of publication: The synthesis and magnetic properties of BaFe2Se3 single crystals
• Authors of publication: Gao, Juanjuan; Teng, Yifei; Liu, Wei; Chen, Shufan; Tong, Wenming; Li, Min; Zhao, Xudong; Liu, Xiaoyang
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 48
• Pages of publication: 30433
• a: 11.936 ± 0.002 Å
• b: 5.4322 ± 0.001 Å
• c: 9.1679 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 594.44 ± 0.19 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: 0.0452
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.1072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No