The mobility of lattice oxygen and the fine structure of LixNi2-xO2 (0 ≤ x ≤ 1.0) were investigated by thermogravimetric analysis and extended X-ray absorption fine structure, respectively. It was proven that the lattice oxygen of LiNiO2 was mobilizable under reductive and oxidative atmosphere at 1033 K. The Ni-O bond lengths in NiO6 slabs markedly changed at around x = 0.65. The results were in good agreement with the dependence of the selectivity for the OCM reaction on LixNi2-xO2 catalysts. It was suggested from these data that the formation of active lattice oxygen species in LiNiO2 should be induced by structural distortion in NiO6.
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