$LiAl_5O_8-LiFe_5O_8$ 합성과 결정구조 해석

Crystal structure refinement and synthesis of $LiAl_5O_8-LiFe_5O_8$

$LiCO_3, Al_2O_3, Fe_2O_3$ 혼합물을 1620K에서 반응시켜 리튬전지의 음극재료로 응용이 가능한 스핀넬형 $LiAl_{2.5}/Fe_{2.5}O_8$를 합성하였다. XRD의 Rietveld 해석을 통하여 결정구조 해석을 하였다. 고용체의 공간군은 $P4_3$32(a=8.1293$\AA$)이고, 결정구조해석의 최종 Residual index는 약 5%정도이었다. 역 스핀넬구조에서 양이온 $Al^{3+}, Fe^{3+}$은 4-배위와 6-배위로 위치하고, $Li^+$은 4b, 12d의 6-배위자리에 존재하였다.

The pseudo-spinel type solid solution, $LiAl_{2.5}/Fe_{2.5}O_8$ was prepared by reaction of $LiCO_3, Al_2O_3, Fe_2O_3$ mixture at 1620K, which can be used for cathode material in lithium batteries. Its structure was investigated by Rietveld profile-analysis of XRD in detail. The space group of solid solution is $P4_3$32(a=8.1293$\AA$) and the final residual index of structure refinement was about 5%. Cations $Al^{3+}, Fe^{3+}$ are located at both tetra- and octahedral-coordination and $Li^+$ ions are occupied in the octahedral 4b-, 12d-site of the inverse spinel.