Materials Data on HoU3 by Materials Project

Abstract

U3Ho is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded to eight U and four equivalent Ho atoms to form UHo4U8 cuboctahedra that share corners with twelve equivalent UHo4U8 cuboctahedra, edges with eight equivalent HoU12 cuboctahedra, edges with sixteen UHo4U8 cuboctahedra, faces with four equivalent HoU12 cuboctahedra, and faces with fourteen UHo4U8 cuboctahedra. There are four shorter (3.09 Å) and four longer (3.23 Å) U–U bond lengths. All U–Ho bond lengths are 3.23 Å. In the second U site, U is bonded to eight equivalent U and four equivalent Ho atoms to form distorted UHo4U8 cuboctahedra that share corners with four equivalent UHo4U8 cuboctahedra, corners with eight equivalent HoU12 cuboctahedra, edges with twenty-four UHo4U8 cuboctahedra, faces with six equivalent HoU12 cuboctahedra, and faces with twelve UHo4U8 cuboctahedra. All U–Ho bond lengths are 3.09 Å. Ho is bonded to twelve U atoms to form HoU12 cuboctahedra that share corners with four equivalent HoU12 cuboctahedra, corners with eight equivalent UHo4U8 cuboctahedra, edges with eight equivalent HoU12 cuboctahedra, edges with sixteen equivalent UHo4U8 cuboctahedra, faces with four equivalent HoU12 cuboctahedra, and faces with fourteen UHo4U8 cuboctahedra.