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HoI3 crystallizes in the hexagonal P6_3/mmc space group. The structure is one-dimensional and consists of two HoI3 ribbons oriented in the (0, 0, 1) direction. Ho3+ is bonded to six equivalent I1- atoms to form distorted face-sharing HoI6 pentagonal pyramids. All Ho–I bond lengths are 3.05 Å. I1- is bonded in an L-shaped geometry to two equivalent Ho3+ atoms.
HoY is Magnesium-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ho is bonded to six equivalent Ho and six equivalent Y atoms to form HoY6Ho6 cuboctahedra that share corners with eighteen equivalent HoY6Ho6 cuboctahedra, edges with six equivalent HoY6Ho6 cuboctahedra, edges with twelve equivalent YY6Ho6 cuboctahedra, faces with eight equivalent HoY6Ho6 cuboctahedra, and faces with twelve equivalent YY6Ho6 cuboctahedra. All Ho–Ho bond lengths are 3.61 Å. All Ho–Y bond lengths are 3.54 Å. Y is bonded to six equivalent Ho and six equivalent Y atoms to form YY6Ho6 cuboctahedra that share corners with eighteen equivalent YY6Ho6 cuboctahedra, edges with six equivalent YY6Ho6 cuboctahedra, edges with twelve equivalent HoY6Ho6 cuboctahedra, faces with eight equivalent YY6Ho6 cuboctahedra, and faces with twelve equivalent HoY6Ho6 cuboctahedra. All Y–Y bond lengths are 3.61 Å.
Ho3Y is Copper-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded to eight Ho and four equivalent Y atoms to form HoY4Ho8 cuboctahedra that share corners with twelve equivalent HoY4Ho8 cuboctahedra, edges with eight equivalent YHo12 cuboctahedra, edges with sixteen HoY4Ho8 cuboctahedra, faces with four equivalent YHo12 cuboctahedra, and faces with fourteen HoY4Ho8 cuboctahedra. All Ho–Ho bond lengths are 3.54 Å. All Ho–Y bond lengths are 3.54 Å. In the second Ho site, Ho is bonded to eight equivalent Ho and four equivalent Y atoms to form HoY4Ho8 cuboctahedra that share corners with four equivalent HoY4Ho8 cuboctahedra, corners with eight equivalent YHo12 cuboctahedra, edges with twenty-four HoY4Ho8 cuboctahedra, faces with six equivalent YHo12 cuboctahedra, and faces with twelve HoY4Ho8 cuboctahedra. All Ho–Y bond lengths are 3.54 Å. Y is bonded to twelve Ho atoms to form YHo12 cuboctahedra that share corners with four equivalent YHo12 cuboctahedra, corners with eight equivalent HoY4Ho8 cuboctahedra, edges with eight equivalent YHo12 cuboctahedra, edges with sixteen equivalent HoY4Ho8 cuboctahedra, faces with four equivalent YHo12 cuboctahedra, and faces with fourteen HoY4Ho8 cuboctahedra.
HoY3 is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ho is bonded to twelve equivalent Y atoms to form HoY12 cuboctahedra that share corners with six equivalent HoY12 cuboctahedra, corners with twelve equivalent YY8Ho4 cuboctahedra, edges with eighteen equivalent YY8Ho4 cuboctahedra, faces with eight equivalent HoY12 cuboctahedra, and faces with twelve equivalent YY8Ho4 cuboctahedra. There are six shorter (3.55 Å) and six longer (3.62 Å) Ho–Y bond lengths. Y is bonded to four equivalent Ho and eight equivalent Y atoms to form YY8Ho4 cuboctahedra that share corners with four equivalent HoY12 cuboctahedra, corners with fourteen equivalent YY8Ho4 cuboctahedra, edges with six equivalent HoY12 cuboctahedra, edges with twelve equivalent YY8Ho4 cuboctahedra, faces with four equivalent HoY12 cuboctahedra, and faces with sixteen equivalent YY8Ho4 cuboctahedra. There are a spread of Y–Y bond distances ranging from 3.56–3.63 Å.
Ho3Y is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ho is bonded to eight equivalent Ho and four equivalent Y atoms to form HoY4Ho8 cuboctahedra that share corners with four equivalent YHo12 cuboctahedra, corners with fourteen equivalent HoY4Ho8 cuboctahedra, edges with six equivalent YHo12 cuboctahedra, edges with twelve equivalent HoY4Ho8 cuboctahedra, faces with four equivalent YHo12 cuboctahedra, and faces with sixteen equivalent HoY4Ho8 cuboctahedra. There are a spread of Ho–Ho bond distances ranging from 3.50–3.63 Å. There are two shorter (3.51 Å) and two longer (3.61 Å) Ho–Y bond lengths. Y is bonded to twelve equivalent Ho atoms to form YHo12 cuboctahedra that share corners with six equivalent YHo12 cuboctahedra, corners with twelve equivalent HoY4Ho8 cuboctahedra, edges with eighteen equivalent HoY4Ho8 cuboctahedra, faces with eight equivalent YHo12 cuboctahedra, and faces with twelve equivalent HoY4Ho8 cuboctahedra.