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Crystal structure and ionic conduction path analysis of Li(Co,Ni,Mn)O$$_{2}$$ by neutron powder diffraction

Igawa, Naoki   ; Taguchi, Tomitsugu; Fukazawa, Hiroshi; Yamauchi, Hiroki   ; Utsumi, Wataru

LiCo$$_{1/3}$$Ni$$_{1/3}$$Mn$$_{1/3}$$O$$_{2}$$ has been attracted great attention as the cathode materials for the lithium-ion batteries. The Crystal structure study on LiCo$$_{1/3}$$Ni$$_{1/3}$$Mn$$_{1/3}$$O$$_{2}$$ was examined using the neutron powder diffraction method. The neutron diffraction data were analyzed by the Rietveld method. It is found that the crystal structure of this material was basically the same one as LiCoO$$_{2}$$ and LiNiO$$_{2}$$, the space group ${it R}$-3${it m}$, and that the Li, (Co, Ni, Mn) and O ions were occupied at 3${it a}$, 3${it b}$ and 6${it c}$ sites, respectively. About 3.8% of Li site was occupied by Ni ion, which value was much smaller than that in LiNiO$$_{2}$$. This indicates that Ni-substitution at Li site is suppred by the Mn, Co ions.

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