Materials Data on UCrCuSi2 by Materials Project

Abstract

UCrCuSi2 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. U4+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All U–Si bond lengths are 3.03 Å. Cr3+ is bonded to four equivalent Si4- atoms to form CrSi4 tetrahedra that share corners with four equivalent CrSi4 tetrahedra and edges with four equivalent CuSi4 tetrahedra. All Cr–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 CrSi4 tetrahedra. All Cu–Si bond lengths are 2.42 Å. Si4- is bonded in a 2-coordinate geometry to four equivalent U4+, two equivalent Cr3+, two equivalent Cu1+, and one Si4- atom. The Si–Si bond length is 2.38 Å.