Materials Data on NdVGe3 by Materials Project

Abstract

NdVGe3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Nd is bonded to twelve equivalent Ge atoms to form distorted NdGe12 cuboctahedra that share corners with six equivalent NdGe12 cuboctahedra, corners with six equivalent VGe6 octahedra, faces with eight equivalent NdGe12 cuboctahedra, and faces with six equivalent VGe6 octahedra. The corner-sharing octahedral tilt angles are 28°. There are six shorter (3.15 Å) and six longer (3.19 Å) Nd–Ge bond lengths. V is bonded to six equivalent Ge atoms to form VGe6 octahedra that share corners with six equivalent NdGe12 cuboctahedra, faces with six equivalent NdGe12 cuboctahedra, and faces with two equivalent VGe6 octahedra. All V–Ge bond lengths are 2.53 Å. Ge is bonded in a 8-coordinate geometry to four equivalent Nd, two equivalent V, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.61 Å.