Neutron diffraction study of the li-ion battery cathode Li2FeP2O7

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American Chemical Society
With a combination of magnetic susceptibility measurements and low-temperature neutron diffraction analyses, the magnetic structure of Li2FeP2O7 cathode has been solved. This pyrophosphate Li2FeP2O7 compound stabilizes into a monoclinic framework (space group P2(1)/c),having a pseudolayered structure with the constituent Li/Fe sites distributed into MO6 and MO5 building units. The magnetic susceptibility follows a Curie Weiss behavior above 50 K. Li2FeP2O7 shows a long-range antiferromagnetic ordering at T-N = 9 K, as characterized by the appearance of distinct additional peaks in the neutron diffraction pattern below TN. Its magnetic reflections can be indexed with a propagation vector k = (0,0,0). The magnetic moments inside the FeO6-FeO5 clusters are ferromagnetic, whereas these clusters are antiferromagnetic along the chains. The adjacent chains are in turn ferromagnetically arranged along the a-axis. The magnetic structure of Li2FeP2O7 cathode material is described focusing on their localized spin spin exchange. The magnetic structure and properties have been generalized for Li2FeP2O7 Li2CoP2O7 binary solid solutions. © 2013, American Chemical Society.
Lithium, Iron, Electrodes, Pyrophosphates, Cathodes, Neutrons
Barpanda, P., Rousse, G., Ye, T., Ling, C. D., Mohamed, Z., Klein, Y., & Yamada, A. (2013). Neutron diffraction study of the li-ion battery cathode Li2FeP2O7. Inorganic Chemistry, 52 (6), 3334-3341. doi:10.1021/ic302816w