The Structure of a 3 V Li x MnO2 Cathode and Its Change upon Electrochemical Lithiation

The crystal structure of obtained by heat‐treatment of and mixture (Li/Mn ratio 1:3, 370°C, 20 h), which is used as a 3 V cathode in rechargeable lithium batteries, is proposed as an ordered alternation of [1 × 2] and [1 × 1] channels. The simulation of this structure by the Rietveld method is in good agreement with the powder X‐ray diffraction pattern of this material. It has been shown that the major difference between the structures of and the thermal lithiated product is the ordering in the ‐octahedra arrangement. This leads to the high reversibility and cyclability of this cathode material in rechargeable Li batteries.