Information card for entry 7116665

Structure parameters

• Formula: Fe1.172 H Li0.828 O S
• Calculated formula: Fe1.172 H Li0.828 O S
• Title of publication: [(Li0.8Fe0.2)OH]FeS and the ferromagnetic superconductors [(Li0.8Fe0.2)OH]Fe(S1-xSex) (0 < x ? 1)
• Authors of publication: U. Pachmayr; D. Johrendt
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 4689
• a: 3.7038 ± 0.0002 Å
• b: 3.7038 ± 0.0002 Å
• c: 8.8852 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 121.888 ± 0.018 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 129
• Hermann-Mauguin space group symbol: P 4/n m m :1
• Hall space group symbol: P 4ab 2ab -1ab
• Residual factor for all reflections: 0.0336
• Residual factor for significantly intense reflections: 0.0209
• Weighted residual factors for significantly intense reflections: 0.0419
• Weighted residual factors for all reflections included in the refinement: 0.0444
• Goodness-of-fit parameter for significantly intense reflections: 1.31
• Goodness-of-fit parameter for all reflections included in the refinement: 1.21
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No