Physico-chemical aspects of bonding in iron aluminides

Non-empirical study of the site preference occupation for Ni, Co, Mn, Cr, V and Ti substituting for Fe in Fe0.75Al0.25 showed that the preference to occupy the γ sublattice decreases in the direction from Ti to Ni. For Cr alloying the change of concentrations from 1.25% to 5% leads to relocation of Cr atoms from α to γ sublattice. The interpretation of results is based on the ideas of the theory of chemical coordination bonds in transition metals.