Materials Data on Ce3Ni2Ge7 by Materials Project

Abstract

Ce3Ni2Ge7 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 10-coordinate geometry to four equivalent Ni and ten Ge atoms. All Ce–Ni bond lengths are 3.34 Å. There are a spread of Ce–Ge bond distances ranging from 3.16–3.25 Å. In the second Ce site, Ce is bonded to twelve Ge atoms to form a mixture of distorted corner and face-sharing CeGe12 cuboctahedra. There are a spread of Ce–Ge bond distances ranging from 3.02–3.09 Å. Ni is bonded in a 5-coordinate geometry to four equivalent Ce and five Ge atoms. There are one shorter (2.36 Å) and four longer (2.37 Å) Ni–Ge bond lengths. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 12-coordinate geometry to four Ce and two equivalent Ni atoms. In the second Ge site, Ge is bonded in a 1-coordinate geometry to six equivalent Ce, one Ni, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.56 Å. In the third Ge site, Ge is bonded in a 12-coordinate geometry to four Ce and two equivalent Ni atoms. In the fourth Ge site, Ge is bonded in a square co-planar geometry to four equivalent Ce atoms.