Materials Data on Ce2CoGe3 by Materials Project

Abstract

Ce2CoGe3 is hexagonal omega structure-derived structured and crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded to two equivalent Co and ten Ge atoms to form a mixture of edge and face-sharing CeCo2Ge10 cuboctahedra. Both Ce–Co bond lengths are 3.02 Å. There are a spread of Ce–Ge bond distances ranging from 3.18–3.33 Å. In the second Ce site, Ce is bonded to four equivalent Co and eight Ge atoms to form a mixture of edge and face-sharing CeCo4Ge8 cuboctahedra. All Ce–Co bond lengths are 3.18 Å. There are a spread of Ce–Ge bond distances ranging from 3.02–3.21 Å. Co is bonded in a 3-coordinate geometry to six Ce and three Ge atoms. All Co–Ge bond lengths are 2.35 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Ce and three Ge atoms. There are one shorter (2.51 Å) and two longer (2.52 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Ce, two equivalent Co, and one Ge atom. In the third Ge site, Ge is bonded in a 1-coordinate geometry to six Ce, one Co, and two equivalent Ge atoms.