Statistical paterns between the density impurities in the structure of arsenopyrite and the degre of nonstoichiometry

Based on the comprehensive analysis of the crystal structure, chemical and phase composition the analytical expression for calculating the density of impurity atoms in the structure of FeAsS (arsenopyrite) with different (As + S) / Fe ratios in the samples is presented. The impurity density in the crystal structure of arsenopyrite with various chemical composition is calculated. The density of impurity atoms was calculated separately for the impurity atoms Co, Ni, Cu and Au in the crystal structure of arsenopyrite. The dependence of density of impurity atoms on (As + S) / Fe ratio in the samples is determined.