A detailed investigation of the local structural changes with lithiated perovskite oxides, Li x La 1/3 NbO 3, has been carried out using extended X-ray absorption fine structure (EXAFS) measurements. From Nb K-edge EXAFS measurement, the interatomic distance of first shell Nb−O interaction increased with the composition x by electrochemical Li + insertion. This behavior ascribed to the expansion of Nb ion due to the reduction of Nb 5+ to Nb 4+ . On the other hand, La K-edge EXAFS measurement showed that the interatomic distance of the first shell La−O interaction decreased with the lithiation reaction. Furthermore, those of second shell Nb−La and third shell Nb−Nb and La−La bonds tended to be unchanged with reaction. Such a complicated behavior in the change of each interatomic distance with lithium insertion can be understood by the model of tilting of NbO 6 octahedra in the perovskite structure.
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Nakayama et al. (2003) studied this question.
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