Materials Data on CeMnCrSi2 by Materials Project

Abstract

CeCrMnSi2 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 3.11 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 MnSi4 tetrahedra. All Cr–Si bond lengths are 2.40 Å. Mn2+ is bonded to four equivalent Si4- atoms to form MnSi4 tetrahedra that share corners with four equivalent MnSi4 tetrahedra and edges with four equivalent CrSi4 tetrahedra. All Mn–Si bond lengths are 2.40 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Ce3+, two equivalent Cr3+, two equivalent Mn2+, and one Si4- atom. The Si–Si bond length is 2.52 Å.