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Li conduction pathway in cathode material, LiMn$$_{2}$$O$$_{4}$$, for Li ion battery studied by neutron diffraction method

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

The crystal structure of LiMn$$_{2}$$O$$_{4}$$ was analyzed by the Rietveld method using the neutron powder diffraction. The neutron scattering length density map was also analyzed to investigate the Li conduction path by the maximum entropy method. The crystal structure was refined with the space group, ${it Fd}$-3${it m}$(origin choice 2) with a lattice constant, ${it a}$ = 8.2442(3) ${AA}$ at room temperature. Li, Mn and O atoms occupied 8${it b}$, 16${it c}$ and 32${it e}$ sites, respectively. The cation mixing at Li and other metal sites was not observed. The neutron scattering length density map exhibits 3-dimensional Li conduction pathway clearly, indicating the Li through the 8${it b}$-16${it e}$-8${it b}$ sites.



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