Materials Data on NdZr by Materials Project

Abstract

NdZr crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Nd is bonded to six equivalent Nd and six equivalent Zr atoms to form NdNd6Zr6 cuboctahedra that share corners with eighteen equivalent NdNd6Zr6 cuboctahedra, edges with six equivalent NdNd6Zr6 cuboctahedra, edges with twelve equivalent ZrNd6Zr6 cuboctahedra, faces with eight equivalent NdNd6Zr6 cuboctahedra, and faces with twelve equivalent ZrNd6Zr6 cuboctahedra. All Nd–Nd bond lengths are 3.41 Å. All Nd–Zr bond lengths are 3.43 Å. Zr is bonded to six equivalent Nd and six equivalent Zr atoms to form ZrNd6Zr6 cuboctahedra that share corners with eighteen equivalent ZrNd6Zr6 cuboctahedra, edges with six equivalent ZrNd6Zr6 cuboctahedra, edges with twelve equivalent NdNd6Zr6 cuboctahedra, faces with eight equivalent ZrNd6Zr6 cuboctahedra, and faces with twelve equivalent NdNd6Zr6 cuboctahedra. All Zr–Zr bond lengths are 3.41 Å.