Materials Data on Ce5GeSb2 by Materials Project

Abstract

Ce5GeSb2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent Ce sites. In the first Ce site, Ce is bonded in a 6-coordinate geometry to two equivalent Ge and four equivalent Sb atoms. There are one shorter (3.05 Å) and one longer (3.62 Å) Ce–Ge bond lengths. There are two shorter (3.22 Å) and two longer (3.24 Å) Ce–Sb bond lengths. In the second Ce site, Ce is bonded to one Ge and four equivalent Sb atoms to form a mixture of distorted edge and corner-sharing CeGeSb4 square pyramids. The Ce–Ge bond length is 3.16 Å. There are two shorter (3.25 Å) and two longer (3.26 Å) Ce–Sb bond lengths. In the third Ce site, Ce is bonded to one Ge and four equivalent Sb atoms to form a mixture of distorted edge and corner-sharing CeGeSb4 trigonal bipyramids. The Ce–Ge bond length is 2.98 Å. There are two shorter (3.23 Å) and two longer (3.27 Å) Ce–Sb bond lengths. In the fourth Ce site, Ce is bonded in a 5-coordinate geometry to two equivalent Ge and three equivalent Sb atoms. There are one shorter (2.99 Å) and one longer (3.18 Å) Ce–Ge bond lengths. There are a spread of Ce–Sb bond distances ranging from 3.37–3.41 Å. Ge is bonded in a 7-coordinate geometry to eight Ce atoms. Sb is bonded in a 9-coordinate geometry to nine Ce atoms.