Materials Data on NdFeCoSi2 by Materials Project

Abstract

NdFeCoSi2 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Nd3+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All Nd–Si bond lengths are 3.12 Å. Fe3+ is bonded to four equivalent Si4- atoms to form FeSi4 tetrahedra that share corners with four equivalent FeSi4 tetrahedra and edges with four equivalent CoSi4 tetrahedra. All Fe–Si bond lengths are 2.28 Å. Co2+ is bonded to four equivalent Si4- atoms to form CoSi4 tetrahedra that share corners with four equivalent CoSi4 tetrahedra and edges with four equivalent FeSi4 tetrahedra. All Co–Si bond lengths are 2.28 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Nd3+, two equivalent Fe3+, two equivalent Co2+, and one Si4- atom. The Si–Si bond length is 2.68 Å.