Information card for entry 7220201

Structure parameters

• Formula: Fe1.15 H Li0.85 O S
• Calculated formula: Fe1.146 H Li0.854 O S
• Title of publication: Synthesis, crystal structure and physical properties of [Li0.85Fe0.15OH][FeS]
• Authors of publication: Zhang, Xian; Lai, Xiaofang; Yi, Na; He, Jianqiao; Chen, Haijie; Zhang, Hui; Lin, Jianhua; Huang, Fuqiang
• Journal of publication: RSC Adv.
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 48
• Pages of publication: 38248
• a: 3.6886 ± 0.0003 Å
• b: 3.6886 ± 0.0003 Å
• c: 8.9149 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 121.29 ± 0.02 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 129
• Hermann-Mauguin space group symbol: P 4/n m m :2
• Hall space group symbol: -P 4a 2a
• Residual factor for all reflections: 0.0306
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.0815
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No