Materials Data on CeSiGe by Materials Project

Abstract

CeGeSi is hexagonal omega structure-derived structured and crystallizes in the tetragonal I4_1md space group. The structure is three-dimensional. Ce is bonded to six equivalent Ge and six equivalent Si atoms to form a mixture of edge and face-sharing CeSi6Ge6 cuboctahedra. There are four shorter (3.18 Å) and two longer (3.22 Å) Ce–Ge bond lengths. There are four shorter (3.18 Å) and two longer (3.22 Å) Ce–Si bond lengths. Ge is bonded in a 3-coordinate geometry to six equivalent Ce and three equivalent Si atoms. There are two shorter (2.42 Å) and one longer (2.44 Å) Ge–Si bond lengths. Si is bonded in a 3-coordinate geometry to six equivalent Ce and three equivalent Ge atoms.