Study of the Structure and the Stability Conditions of a New Iron Arsenide: Fe12As5.

Article abstract of DOI:10.1016/0025-5408(83)90139-3

The crystal structure determination of the new phase Fe//1//2As//5 carried on the isostructural phase (RuFe)//1//2As//5 gives a rhombohedral cell with the space group R3. The metallic atoms are, on the one hand, inserted in square pyramidal and triangular bipyramidal sites and, on the other hand, gathered in a metallic bipyramidal cluster. This description makes clear the relation to the structures of M//2X and M//3X phases. This new structural type appears as an intermediate case resulting from an increase in metallic interactions, leading to the formation of metallic clusters.