Information card for entry 4119420

Structure parameters

• Formula: Fe3 H2 O10 S2
• Calculated formula: Fe3 H2 O10 S2
• SMILES: [Fe+2].[Fe+2].[Fe+2].[OH-].[OH-].S(=O)(=O)([O-])[O-].S(=O)(=O)([O-])[O-]
• Title of publication: Preparation, Structure, and Electrochemistry of Layered Polyanionic Hydroxysulfates: LiMSO4OH (M = Fe, Co, Mn) Electrodes for Li-Ion Batteries
• Authors of publication: Chinmayee V. Subban; Mohamed Ati; Gwenaëlle Rousse; Artem M. Abakumov; Gustaaf Van Tendeloo; Raphaël Janot; Jean-Marie Tarascon
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 3653 - 3661
• a: 5.293 ± 0.0003 Å
• b: 5.293 ± 0.0003 Å
• c: 13.0851 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 366.59 ± 0.04 ų
• Number of distinct elements: 4
• Space group number: 141
• Hermann-Mauguin space group symbol: I 41/a m d :2
• Hall space group symbol: -I 4bd 2
• Residual factor R(I) for significantly intense reflections: 74.9612
• Method of determination: powder diffraction
• Diffraction radiation type: x-ray
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No