Materials Data on Nd3Y by Materials Project

Abstract

Nd3Y is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Nd is bonded to eight equivalent Nd and four equivalent Y atoms to form NdNd8Y4 cuboctahedra that share corners with four equivalent YNd12 cuboctahedra, corners with fourteen equivalent NdNd8Y4 cuboctahedra, edges with six equivalent YNd12 cuboctahedra, edges with twelve equivalent NdNd8Y4 cuboctahedra, faces with four equivalent YNd12 cuboctahedra, and faces with sixteen equivalent NdNd8Y4 cuboctahedra. There are six shorter (3.68 Å) and two longer (3.70 Å) Nd–Nd bond lengths. There are two shorter (3.67 Å) and two longer (3.69 Å) Nd–Y bond lengths. Y is bonded to twelve equivalent Nd atoms to form YNd12 cuboctahedra that share corners with six equivalent YNd12 cuboctahedra, corners with twelve equivalent NdNd8Y4 cuboctahedra, edges with eighteen equivalent NdNd8Y4 cuboctahedra, faces with eight equivalent YNd12 cuboctahedra, and faces with twelve equivalent NdNd8Y4 cuboctahedra.