Materials Data on Nd3Np by Materials Project

Abstract

NpNd3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Np is bonded to twelve equivalent Nd atoms to form NpNd12 cuboctahedra that share corners with six equivalent NpNd12 cuboctahedra, corners with twelve equivalent NdNd8Np4 cuboctahedra, edges with eighteen equivalent NdNd8Np4 cuboctahedra, faces with eight equivalent NpNd12 cuboctahedra, and faces with twelve equivalent NdNd8Np4 cuboctahedra. There are six shorter (3.63 Å) and six longer (3.67 Å) Np–Nd bond lengths. Nd is bonded to four equivalent Np and eight equivalent Nd atoms to form NdNd8Np4 cuboctahedra that share corners with four equivalent NpNd12 cuboctahedra, corners with fourteen equivalent NdNd8Np4 cuboctahedra, edges with six equivalent NpNd12 cuboctahedra, edges with twelve equivalent NdNd8Np4 cuboctahedra, faces with four equivalent NpNd12 cuboctahedra, and faces with sixteen equivalent NdNd8Np4 cuboctahedra. There are a spread of Nd–Nd bond distances ranging from 3.62–3.73 Å.