Materials Data on CeCoCuSi2 by Materials Project

Abstract

CeCoCuSi2 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Ce4+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All Ce–Si bond lengths are 3.11 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 CuSi4 tetrahedra. All Co–Si bond lengths are 2.36 Å. Cu2+ is bonded to four equivalent Si4- atoms to form CuSi4 tetrahedra that share corners with four equivalent CuSi4 tetrahedra and edges with four equivalent CoSi4 tetrahedra. All Cu–Si bond lengths are 2.36 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Ce4+, two equivalent Co2+, two equivalent Cu2+, and one Si4- atom. The Si–Si bond length is 2.44 Å.