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MgHo is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to eight equivalent Ho atoms. All Mg–Ho bond lengths are 3.27 Å. Ho is bonded in a body-centered cubic geometry to eight equivalent Mg atoms.
Mg2Ho is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to six equivalent Mg and six equivalent Ho atoms to form a mixture of face, edge, and corner-sharing MgHo6Mg6 cuboctahedra. All Mg–Mg bond lengths are 3.03 Å. All Mg–Ho bond lengths are 3.54 Å. In the second Mg site, Mg is bonded to six Mg and six equivalent Ho atoms to form a mixture of face, edge, and corner-sharing MgHo6Mg6 cuboctahedra. There are two shorter (2.94 Å) and two longer (3.10 Å) Mg–Mg bond lengths. There are two shorter (3.51 Å) and four longer (3.52 Å) Mg–Ho bond lengths. Ho is bonded in a 12-coordinate geometry to twelve Mg and four equivalent Ho atoms. There are one shorter (3.63 Å) and three longer (3.70 Å) Ho–Ho bond lengths.
MgHo3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded to twelve equivalent Ho atoms to form MgHo12 cuboctahedra that share corners with six equivalent MgHo12 cuboctahedra, corners with twelve equivalent HoHo8Mg4 cuboctahedra, edges with eighteen equivalent HoHo8Mg4 cuboctahedra, faces with eight equivalent MgHo12 cuboctahedra, and faces with twelve equivalent HoHo8Mg4 cuboctahedra. There are six shorter (3.40 Å) and six longer (3.49 Å) Mg–Ho bond lengths. Ho is bonded to four equivalent Mg and eight equivalent Ho atoms to form HoHo8Mg4 cuboctahedra that share corners with four equivalent MgHo12 cuboctahedra, corners with fourteen equivalent HoHo8Mg4 cuboctahedra, edges with six equivalent MgHo12 cuboctahedra, edges with twelve equivalent HoHo8Mg4 cuboctahedra, faces with four equivalent MgHo12 cuboctahedra, and faces with sixteen equivalent HoHo8Mg4 cuboctahedra. There are a spread of Ho–Ho bond distances ranging from 3.43–3.55 Å.
MgHo3 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to eight equivalent Ho atoms. All Mg–Ho bond lengths are 3.30 Å. There are two inequivalent Ho sites. In the first Ho site, Ho is bonded to four equivalent Mg and eight Ho atoms to form a mixture of distorted face, edge, and corner-sharing HoHo8Mg4 cuboctahedra. There are four shorter (3.49 Å) and four longer (3.61 Å) Ho–Ho bond lengths. In the second Ho site, Ho is bonded to twelve Ho atoms to form HoHo12 cuboctahedra that share corners with four equivalent HoHo12 cuboctahedra, edges with sixteen equivalent HoHo8Mg4 cuboctahedra, and faces with sixteen HoHo8Mg4 cuboctahedra. All Ho–Ho bond lengths are 3.61 Å.
Mg2Ho crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Mg is bonded in a 11-coordinate geometry to five equivalent Mg and six equivalent Ho atoms. There are a spread of Mg–Mg bond distances ranging from 2.99–3.30 Å. There are two shorter (3.42 Å) and four longer (3.43 Å) Mg–Ho bond lengths. Ho is bonded in a 12-coordinate geometry to twelve equivalent Mg and two equivalent Ho atoms. Both Ho–Ho bond lengths are 3.30 Å.