Materials Data on NdY3 by Materials Project

Abstract

NdY3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Nd is bonded to twelve equivalent Y atoms to form NdY12 cuboctahedra that share corners with six equivalent NdY12 cuboctahedra, corners with twelve equivalent YNd4Y8 cuboctahedra, edges with eighteen equivalent YNd4Y8 cuboctahedra, faces with eight equivalent NdY12 cuboctahedra, and faces with twelve equivalent YNd4Y8 cuboctahedra. There are six shorter (3.60 Å) and six longer (3.66 Å) Nd–Y bond lengths. Y is bonded to four equivalent Nd and eight equivalent Y atoms to form YNd4Y8 cuboctahedra that share corners with four equivalent NdY12 cuboctahedra, corners with fourteen equivalent YNd4Y8 cuboctahedra, edges with six equivalent NdY12 cuboctahedra, edges with twelve equivalent YNd4Y8 cuboctahedra, faces with four equivalent NdY12 cuboctahedra, and faces with sixteen equivalent YNd4Y8 cuboctahedra. There are a spread of Y–Y bond distances ranging from 3.59–3.68 Å.