Information card for entry 4003017

Structure parameters

• Formula: Fe1.035 Li0.965 O4 P0.905
• Calculated formula: Fe1.0354 Li0.96503 O4 P0.906
• Title of publication: “Hydrotriphylites” Li1‒xFe1+x(PO4)1‒y(OH)4y as Cathode Materials for Li-ion Batteries
• Authors of publication: Sumanov, Vasily D.; Aksyonov, Dmitry A.; Drozhzhin, Oleg A.; Presniakov, Igor; Sobolev, Alexey V.; Glazkova, Iana; Tsirlin, Alexander A.; Rupasov, Dmitry; Senyshyn, Anatoliy; Kolesnik, Irina V.; Stevenson, Keith J.; Antipov, Evgeny; Abakumov, Artem M.
• Journal of publication: Chemistry of Materials
• Year of publication: 2019
• Journal volume: 31
• Journal issue: 14
• Pages of publication: 5035
• a: 10.3385 ± 0.0002 Å
• b: 5.99521 ± 0.00013 Å
• c: 4.70108 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 291.38 ± 0.01 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 26
• Hermann-Mauguin space group symbol: P 21 m a
• Hall space group symbol: P -2a 2a
• Residual factor for all reflections: 0.018
• Residual factor for significantly intense reflections: 0.0179
• Weighted residual factors for all reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0267
• Goodness-of-fit parameter for all reflections: 1.52
• Method of determination: powder diffraction
• Diffraction radiation probe: neutron
• Diffraction radiation wavelength: 1.5472 Å
• Diffraction radiation type: neutron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No