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In transition metal ( M ) compounds, the partial substitution of the host transition metal ( M  h ) to guest one ( M  g ) is effective to improve the functionality. To microscopically comprehend the substitution effect, degree of distribution of  M  g  is crucial. Here, we propose that a systematic EXAFS analysis against the  M  g  concentration can reveal the spatial distribution of  M  g . We chose NaCo 1− x  Fe  x  O 2  as a prototypical  M  compound and investigated the local intermetal distance around the guest Fe [ d  Fe– M  ( x )] against Fe concentration ( x ).  d  Fe– M  ( x ) steeply increased with  x , reflecting the larger ionic radius of high-spin Fe 3+ . The  x -dependence of  d  Fe– M  ( x ) was analyzed by an empirical equation,    \documentclass[12pt]{minimal} 				\usepackage{amsmath} 				\usepackage{wasysym}  				\usepackage{amsfonts}  				\usepackage{amssymb}  				\usepackage{amsbsy} 				\usepackage{mathrsfs} 				\usepackage{upgreek} 				\setlength{\oddsidemargin}{-69pt} 				\begin{document}$${d}_{\mathrm{F}\mathrm{e}-M}(x)=sxd_{\mathrm{F}\mathrm{e}-\mathrm{F}\mathrm{e}}+(1-sx)d_{\mathrm{F}\mathrm{e}-\mathrm{C}\mathrm{o}}$$\end{document}d   F  e  -  M(  x  )   =  s  x   d   F  e  -  F  e    +   (  1  -  s  x  )    d   F  e  -  C  o, where  d  Fe–Fe  and  d  Fe–Co  are the Fe–Fe and Co–Fe distances, respectively. The parameter  s  represents degree of distribution of Fe;  s  = 1, > 1, < 1 are for random, attractive, and repulsive distribution, respectively. The obtained  s  value (= 4.8) indicates aggregation tendency of guest Fe.

Aggregation tendency of guest Fe in NaCo1−xFexO2 (x < 0.1) as investigated by systematic EXAFS analysis