Materials Data on Nd3Dy by Materials Project

Abstract

DyNd3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Dy is bonded to twelve equivalent Nd atoms to form DyNd12 cuboctahedra that share corners with six equivalent DyNd12 cuboctahedra, corners with twelve equivalent NdNd8Dy4 cuboctahedra, edges with eighteen equivalent NdNd8Dy4 cuboctahedra, faces with eight equivalent DyNd12 cuboctahedra, and faces with twelve equivalent NdNd8Dy4 cuboctahedra. There are six shorter (3.66 Å) and six longer (3.67 Å) Dy–Nd bond lengths. Nd is bonded to four equivalent Dy and eight equivalent Nd atoms to form NdNd8Dy4 cuboctahedra that share corners with four equivalent DyNd12 cuboctahedra, corners with fourteen equivalent NdNd8Dy4 cuboctahedra, edges with six equivalent DyNd12 cuboctahedra, edges with twelve equivalent NdNd8Dy4 cuboctahedra, faces with four equivalent DyNd12 cuboctahedra, and faces with sixteen equivalent NdNd8Dy4 cuboctahedra. There are a spread of Nd–Nd bond distances ranging from 3.65–3.68 Å.