Materials Data on Nd3Ho by Materials Project

Abstract

HoNd3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ho is bonded to twelve equivalent Nd atoms to form HoNd12 cuboctahedra that share corners with six equivalent HoNd12 cuboctahedra, corners with twelve equivalent NdNd8Ho4 cuboctahedra, edges with eighteen equivalent NdNd8Ho4 cuboctahedra, faces with eight equivalent HoNd12 cuboctahedra, and faces with twelve equivalent NdNd8Ho4 cuboctahedra. All Ho–Nd bond lengths are 3.66 Å. Nd is bonded to four equivalent Ho and eight equivalent Nd atoms to form NdNd8Ho4 cuboctahedra that share corners with four equivalent HoNd12 cuboctahedra, corners with fourteen equivalent NdNd8Ho4 cuboctahedra, edges with six equivalent HoNd12 cuboctahedra, edges with twelve equivalent NdNd8Ho4 cuboctahedra, faces with four equivalent HoNd12 cuboctahedra, and faces with sixteen equivalent NdNd8Ho4 cuboctahedra. There are a spread of Nd–Nd bond distances ranging from 3.65–3.67 Å.