Materials Data on Yb3Ho by Materials Project

Abstract

Yb3Ho is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Yb is bonded to eight equivalent Yb and four equivalent Ho atoms to form YbYb8Ho4 cuboctahedra that share corners with four equivalent HoYb12 cuboctahedra, corners with fourteen equivalent YbYb8Ho4 cuboctahedra, edges with six equivalent HoYb12 cuboctahedra, edges with twelve equivalent YbYb8Ho4 cuboctahedra, faces with four equivalent HoYb12 cuboctahedra, and faces with sixteen equivalent YbYb8Ho4 cuboctahedra. There are a spread of Yb–Yb bond distances ranging from 3.66–3.84 Å. There are two shorter (3.69 Å) and two longer (3.75 Å) Yb–Ho bond lengths. Ho is bonded to twelve equivalent Yb atoms to form HoYb12 cuboctahedra that share corners with six equivalent HoYb12 cuboctahedra, corners with twelve equivalent YbYb8Ho4 cuboctahedra, edges with eighteen equivalent YbYb8Ho4 cuboctahedra, faces with eight equivalent HoYb12 cuboctahedra, and faces with twelve equivalent YbYb8Ho4 cuboctahedra.