Materials Data on CeCuSi2Ru by Materials Project

Abstract

CeRuCuSi2 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Ce3+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All Ce–Si bond lengths are 3.10 Å. Ru4+ is bonded to four equivalent Si4- atoms to form RuSi4 tetrahedra that share corners with four equivalent RuSi4 tetrahedra and edges with four equivalent CuSi4 tetrahedra. All Ru–Si bond lengths are 2.42 Å. Cu1+ is bonded to four equivalent Si4- atoms to form CuSi4 tetrahedra that share corners with four equivalent CuSi4 tetrahedra and edges with four equivalent RuSi4 tetrahedra. All Cu–Si bond lengths are 2.42 Å. Si4- is bonded in a 2-coordinate geometry to four equivalent Ce3+, two equivalent Ru4+, two equivalent Cu1+, and one Si4- atom. The Si–Si bond length is 2.44 Å.