Materials Data on Ho3Th by Materials Project

Abstract

ThHo3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Th is bonded to twelve equivalent Ho atoms to form ThHo12 cuboctahedra that share corners with six equivalent ThHo12 cuboctahedra, corners with twelve equivalent HoHo8Th4 cuboctahedra, edges with eighteen equivalent HoHo8Th4 cuboctahedra, faces with eight equivalent ThHo12 cuboctahedra, and faces with twelve equivalent HoHo8Th4 cuboctahedra. There are six shorter (3.55 Å) and six longer (3.56 Å) Th–Ho bond lengths. Ho is bonded to four equivalent Th and eight equivalent Ho atoms to form HoHo8Th4 cuboctahedra that share corners with four equivalent ThHo12 cuboctahedra, corners with fourteen equivalent HoHo8Th4 cuboctahedra, edges with six equivalent ThHo12 cuboctahedra, edges with twelve equivalent HoHo8Th4 cuboctahedra, faces with four equivalent ThHo12 cuboctahedra, and faces with sixteen equivalent HoHo8Th4 cuboctahedra. There are four shorter (3.55 Å) and four longer (3.56 Å) Ho–Ho bond lengths.