Materials Data on Ac3Ho by Materials Project

Abstract

Ac3Ho is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ac is bonded to eight equivalent Ac and four equivalent Ho atoms to form AcAc8Ho4 cuboctahedra that share corners with four equivalent HoAc12 cuboctahedra, corners with fourteen equivalent AcAc8Ho4 cuboctahedra, edges with six equivalent HoAc12 cuboctahedra, edges with twelve equivalent AcAc8Ho4 cuboctahedra, faces with four equivalent HoAc12 cuboctahedra, and faces with sixteen equivalent AcAc8Ho4 cuboctahedra. There are a spread of Ac–Ac bond distances ranging from 3.84–3.99 Å. There are two shorter (3.87 Å) and two longer (3.91 Å) Ac–Ho bond lengths. Ho is bonded to twelve equivalent Ac atoms to form HoAc12 cuboctahedra that share corners with six equivalent HoAc12 cuboctahedra, corners with twelve equivalent AcAc8Ho4 cuboctahedra, edges with eighteen equivalent AcAc8Ho4 cuboctahedra, faces with eight equivalent HoAc12 cuboctahedra, and faces with twelve equivalent AcAc8Ho4 cuboctahedra.