Information card for entry 4128818

Structure parameters

• Formula: Fe4 N0.42 Se4.48
• Calculated formula: Fe4 N0.416 Se4.48
• Title of publication: Intercalating Anions between Terminated Anion Layers: Unusual Ionic S-Se Bonds and Hole-Doping Induced Superconductivity in S_0.24(NH₃)_0.26Fe₂Se₂.
• Authors of publication: Sun, Ruijin; Jin, Shifeng; Gu, Lin; Zhang, Qinghua; Huang, Qingzhen; Ying, Tianping; Peng, YiRan; Deng, Jun; Yin, Zhiping; Chen, Xiaolong
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 35
• Pages of publication: 13849 - 13857
• a: 3.8605 ± 0.0002 Å
• b: 3.8605 ± 0.0002 Å
• c: 15.8008 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 235.487 ± 0.018 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 139
• Hermann-Mauguin space group symbol: I 4/m m m
• Hall space group symbol: -I 4 2
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for significantly intense reflections: 1.33
• Goodness-of-fit parameter for all reflections included in the refinement: 1.33
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No