Materials Data on NdZnGe by Materials Project

Abstract

NdZnGe crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded to six equivalent Zn and six equivalent Ge atoms to form a mixture of edge and face-sharing NdZn6Ge6 cuboctahedra. All Nd–Zn bond lengths are 3.10 Å. All Nd–Ge bond lengths are 3.31 Å. In the second Nd site, Nd is bonded to six equivalent Zn and six equivalent Ge atoms to form a mixture of distorted edge and face-sharing NdZn6Ge6 cuboctahedra. All Nd–Zn bond lengths are 3.38 Å. All Nd–Ge bond lengths are 3.16 Å. Zn is bonded in a 3-coordinate geometry to six Nd and three equivalent Ge atoms. All Zn–Ge bond lengths are 2.50 Å. Ge is bonded in a 3-coordinate geometry to six Nd and three equivalent Zn atoms.