Materials Data on CeCrGe3 by Materials Project

Abstract

CeCrGe3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ce is bonded to twelve equivalent Ge atoms to form distorted CeGe12 cuboctahedra that share corners with six equivalent CeGe12 cuboctahedra, corners with six equivalent CrGe6 octahedra, faces with eight equivalent CeGe12 cuboctahedra, and faces with six equivalent CrGe6 octahedra. The corner-sharing octahedral tilt angles are 27°. There are six shorter (3.07 Å) and six longer (3.21 Å) Ce–Ge bond lengths. Cr is bonded to six equivalent Ge atoms to form CrGe6 octahedra that share corners with six equivalent CeGe12 cuboctahedra, faces with six equivalent CeGe12 cuboctahedra, and faces with two equivalent CrGe6 octahedra. All Cr–Ge bond lengths are 2.48 Å. Ge is bonded in a 8-coordinate geometry to four equivalent Ce, two equivalent Cr, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.60 Å.