Materials Data on Ce2Ge3Pd by Materials Project

Abstract

Ce2PdGe3 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 Pd and ten Ge atoms to form a mixture of edge and face-sharing CeGe10Pd2 cuboctahedra. Both Ce–Pd bond lengths are 3.17 Å. There are a spread of Ce–Ge bond distances ranging from 3.17–3.25 Å. In the second Ce site, Ce is bonded to four equivalent Pd and eight Ge atoms to form a mixture of edge and face-sharing CeGe8Pd4 cuboctahedra. All Ce–Pd bond lengths are 3.25 Å. There are four shorter (3.17 Å) and four longer (3.23 Å) Ce–Ge bond lengths. Pd is bonded in a 9-coordinate geometry to six Ce and three Ge atoms. There are one shorter (2.47 Å) and two longer (2.49 Å) Pd–Ge bond lengths. 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 (2.48 Å) and two longer (2.51 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 2-coordinate geometry to six Ce, two equivalent Pd, and one Ge atom. In the third Ge site, Ge is bonded in a 1-coordinate geometry to six Ce, one Pd, and two equivalent Ge atoms.