Materials Data on Tb3Np by Materials Project

Abstract

NpTb3 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 Tb atoms to form NpTb12 cuboctahedra that share corners with six equivalent NpTb12 cuboctahedra, corners with twelve equivalent TbTb8Np4 cuboctahedra, edges with eighteen equivalent TbTb8Np4 cuboctahedra, faces with eight equivalent NpTb12 cuboctahedra, and faces with twelve equivalent TbTb8Np4 cuboctahedra. There are six shorter (3.45 Å) and six longer (3.51 Å) Np–Tb bond lengths. Tb is bonded to four equivalent Np and eight equivalent Tb atoms to form distorted TbTb8Np4 cuboctahedra that share corners with four equivalent NpTb12 cuboctahedra, corners with fourteen equivalent TbTb8Np4 cuboctahedra, edges with six equivalent NpTb12 cuboctahedra, edges with twelve equivalent TbTb8Np4 cuboctahedra, faces with four equivalent NpTb12 cuboctahedra, and faces with sixteen equivalent TbTb8Np4 cuboctahedra. There are a spread of Tb–Tb bond distances ranging from 3.45–3.56 Å.