Materials Data on Ho3Lu by Materials Project

Abstract

LuHo3 is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Lu is bonded to twelve equivalent Ho atoms to form LuHo12 cuboctahedra that share corners with six equivalent LuHo12 cuboctahedra, corners with twelve equivalent HoHo8Lu4 cuboctahedra, edges with eighteen equivalent HoHo8Lu4 cuboctahedra, faces with eight equivalent LuHo12 cuboctahedra, and faces with twelve equivalent HoHo8Lu4 cuboctahedra. There are six shorter (3.46 Å) and six longer (3.58 Å) Lu–Ho bond lengths. Ho is bonded to four equivalent Lu and eight equivalent Ho atoms to form HoHo8Lu4 cuboctahedra that share corners with four equivalent LuHo12 cuboctahedra, corners with fourteen equivalent HoHo8Lu4 cuboctahedra, edges with six equivalent LuHo12 cuboctahedra, edges with twelve equivalent HoHo8Lu4 cuboctahedra, faces with four equivalent LuHo12 cuboctahedra, and faces with sixteen equivalent HoHo8Lu4 cuboctahedra. There are a spread of Ho–Ho bond distances ranging from 3.47–3.59 Å.