Materials Data on CeSiGe by Materials Project

Abstract

CeGeSi is hexagonal omega structure-derived structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Ce is bonded to six equivalent Ge and six equivalent Si atoms to form a mixture of face and edge-sharing CeSi6Ge6 cuboctahedra. There are four shorter (3.17 Å) and two longer (3.34 Å) Ce–Ge bond lengths. There are two shorter (3.15 Å) and four longer (3.16 Å) Ce–Si bond lengths. Ge is bonded in a 1-coordinate geometry to six equivalent Ce, two equivalent Ge, and one Si atom. Both Ge–Ge bond lengths are 2.50 Å. The Ge–Si bond length is 2.46 Å. Si is bonded in a 9-coordinate geometry to six equivalent Ce, one Ge, and two equivalent Si atoms. Both Si–Si bond lengths are 2.35 Å.