Information card for entry 4342295

Structure parameters

• Chemical name: Lithium iron selenide hydroxide
• Formula: Fe1.19 H Li0.79 O Se
• Calculated formula: Fe1.189 H Li0.793 O Se
• Title of publication: Soft Chemical Control of Superconductivity in Lithium Iron Selenide Hydroxides Li1-xFex(OH)Fe1-ySe.
• Authors of publication: Sun, Hualei; Woodruff, Daniel N.; Cassidy, Simon J.; Allcroft, Genevieve M.; Sedlmaier, Stefan J.; Thompson, Amber L.; Bingham, Paul A.; Forder, Susan D.; Cartenet, Simon; Mary, Nicolas; Ramos, Silvia; Foronda, Francesca R.; Williams, Benjamin H.; Li, Xiaodong; Blundell, Stephen J.; Clarke, Simon J.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 4
• Pages of publication: 1958 - 1964
• a: 3.7677 ± 0.0002 Å
• b: 3.7677 ± 0.0002 Å
• c: 9.1552 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 129.96 ± 0.02 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0418
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for all reflections: 0.0804
• Weighted residual factors for significantly intense reflections: 0.0774
• Weighted residual factors for all reflections included in the refinement: 0.0804
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8466
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No