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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Yb3Ho by Materials Project

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.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbHo3 by Materials Project

YbHo3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Yb is bonded to twelve Ho atoms to form YbHo12 cuboctahedra that share corners with four equivalent YbHo12 cuboctahedra, corners with eight equivalent HoYb4Ho8 cuboctahedra, edges with eight equivalent YbHo12 cuboctahedra, edges with sixteen equivalent HoYb4Ho8 cuboctahedra, faces with four equivalent YbHo12 cuboctahedra, and faces with fourteen HoYb4Ho8 cuboctahedra. There are four shorter (3.56 Å) and eight longer (3.57 Å) Yb–Ho bond lengths. There are two inequivalent Ho sites. In the first Ho site, Ho is bonded to four equivalent Yb and eight Ho atoms to form HoYb4Ho8 cuboctahedra that share corners with twelve equivalent HoYb4Ho8 cuboctahedra, edges with eight equivalent YbHo12 cuboctahedra, edges with sixteen HoYb4Ho8 cuboctahedra, faces with four equivalent YbHo12 cuboctahedra, and faces with fourteen HoYb4Ho8 cuboctahedra. There are four shorter (3.56 Å) and four longer (3.57 Å) Ho–Ho bond lengths. In the second Ho site, Ho is bonded to four equivalent Yb and eight equivalent Ho atoms to form HoYb4Ho8 cuboctahedra that share corners with four equivalent HoYb4Ho8 cuboctahedra, corners with eight equivalent YbHo12 cuboctahedra, edges with twenty-four HoYb4Ho8 cuboctahedra, faces with six equivalent YbHo12 cuboctahedra, and faces with twelve HoYb4Ho8 cuboctahedra.

36 MATERIALS SCIENCE↗