Materials Data on Ce2NiGe3 by Materials Project

Abstract

Ce2NiGe3 is hexagonal omega structure-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ce is bonded to three equivalent Ni and nine Ge atoms to form a mixture of edge and face-sharing CeNi3Ge9 cuboctahedra. All Ce–Ni bond lengths are 3.08 Å. There are three shorter (3.08 Å) and six longer (3.22 Å) Ce–Ge bond lengths. Ni is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Ge atoms. All Ni–Ge bond lengths are 2.45 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Ge atoms. All Ge–Ge bond lengths are 2.45 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Ni atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Ge atoms.