Crystal structure study of LiNi1−xMnxO2

Abstract Manganese in an LiNi 1− x Mn x O 2 mixed valence compound, provided a layered structure of LiNiO 2 ( R 3 m ) substituting a part of the 3 a site to manganese was found to exist in part of the nickel site by using XAFS measurement and Rietveld analysis, and the majority of manganese existed in a divalent state by using electron spin resonance measurement. This material has less overvoltage than LiNiO 2 at the end of charging state. It is presumed that control of the mixed valence affects the electron occupation state of the valence band, mainly e g orbit, and the crystal field, providing an action/relaxing change of the electron occupation state of the valence band according to the charge/discharge reaction.