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HoIr is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ho is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Ho–Ir bond lengths are 2.96 Å. Ir is bonded in a body-centered cubic geometry to eight equivalent Ho atoms.
HoIr2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Ho is bonded in a 12-coordinate geometry to twelve equivalent Ir atoms. All Ho–Ir bond lengths are 3.14 Å. Ir is bonded to six equivalent Ho and six equivalent Ir atoms to form a mixture of corner, edge, and face-sharing IrHo6Ir6 cuboctahedra. All Ir–Ir bond lengths are 2.68 Å.
Ho5Ir3 crystallizes in the tetragonal P4/ncc space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded to five Ir atoms to form distorted HoIr5 trigonal bipyramids that share corners with four equivalent HoIr4 tetrahedra, corners with eleven equivalent HoIr5 trigonal bipyramids, an edgeedge with one HoIr4 tetrahedra, edges with six equivalent HoIr5 trigonal bipyramids, and faces with two equivalent HoIr5 trigonal bipyramids. There are a spread of Ho–Ir bond distances ranging from 2.88–3.12 Å. In the second Ho site, Ho is bonded to four equivalent Ir atoms to form HoIr4 tetrahedra that share corners with sixteen equivalent HoIr5 trigonal bipyramids, edges with two equivalent HoIr4 tetrahedra, and edges with four equivalent HoIr5 trigonal bipyramids. All Ho–Ir bond lengths are 2.84 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 8-coordinate geometry to eight Ho atoms. In the second Ir site, Ir is bonded in a 8-coordinate geometry to eight equivalent Ho atoms.
Ho3Ir is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 2-coordinate geometry to three equivalent Ir atoms. There are a spread of Ho–Ir bond distances ranging from 2.86–3.23 Å. In the second Ho site, Ho is bonded in a distorted bent 150 degrees geometry to two equivalent Ir atoms. There are one shorter (2.77 Å) and one longer (2.85 Å) Ho–Ir bond lengths. Ir is bonded in a 6-coordinate geometry to eight Ho atoms.