Materials Data on HoNp3 by Materials Project

Abstract

Np3Ho is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Np sites. In the first Np site, Np is bonded to eight Np and four equivalent Ho atoms to form NpHo4Np8 cuboctahedra that share corners with twelve equivalent NpHo4Np8 cuboctahedra, edges with eight equivalent HoNp12 cuboctahedra, edges with sixteen NpHo4Np8 cuboctahedra, faces with four equivalent HoNp12 cuboctahedra, and faces with fourteen NpHo4Np8 cuboctahedra. All Np–Np bond lengths are 3.23 Å. All Np–Ho bond lengths are 3.23 Å. In the second Np site, Np is bonded to eight equivalent Np and four equivalent Ho atoms to form NpHo4Np8 cuboctahedra that share corners with four equivalent NpHo4Np8 cuboctahedra, corners with eight equivalent HoNp12 cuboctahedra, edges with twenty-four NpHo4Np8 cuboctahedra, faces with six equivalent HoNp12 cuboctahedra, and faces with twelve NpHo4Np8 cuboctahedra. All Np–Ho bond lengths are 3.23 Å. Ho is bonded to twelve Np atoms to form HoNp12 cuboctahedra that share corners with four equivalent HoNp12 cuboctahedra, corners with eight equivalent NpHo4Np8 cuboctahedra, edges with eight equivalent HoNp12 cuboctahedra, edges with sixteen equivalent NpHo4Np8 cuboctahedra, faces with four equivalent HoNp12 cuboctahedra, and faces with fourteen NpHo4Np8 cuboctahedra.