THE LATTICE POSITION OF FE IN FE-DOPED LINBO3

The lattice location of Fe atoms in Fe-doped LiNbO3 is determined expe rimentally employing x-ray standing waves. At a bulk concentration of 7.48 x 10(18) cm(-3) Fe is found to occupy sites close to the ferroele ctric Li position, shifted by 0.18 Angstrom in the direction of the -c axis. Electronic structure calculations confirm this result insofar a s computed spectroscopic data are more consistent with the respective experimental values for Fe located in the vicinity of the Li site than for Fe occupying the Nb lattice position.