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Li diffusion path in LiMn$$_{2}$$O$$_{4}$$ analyzed by neutron diffraction

Igawa, Naoki   ; Kodama, Katsuaki   ; Taguchi, Tomitsugu; Shamoto, Shinichi  

The crystal structure of LiMn$$_{2}$$O$$_{4}$$ was analyzed by the Rietveld method using the neutron powder diffraction, and the neutron scattering length density map was analyzed for the investigation of the Li conduction path by the maximum entropy method. The crystal structure could be refined with the space group, ${it Fd}$-3${it m}$ with a lattice constant, ${it a}$ = 8.2442(3) ${AA}$ at room temperature. We estimated that Li, Mn and O atoms were occupied at 8${it b}$, 16${it c}$ and 32${it e}$ sites, respectively. And the cation mixing between Li and metal sites was not observed. Three-dimensional Li diffusion path was observed in the neutron scattering length density map analyzed by maximum entropy method.

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