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ThIr2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Th is bonded in a 12-coordinate geometry to twelve equivalent Ir atoms. All Th–Ir bond lengths are 3.20 Å. Ir is bonded to six equivalent Th and six equivalent Ir atoms to form a mixture of face, edge, and corner-sharing IrTh6Ir6 cuboctahedra. All Ir–Ir bond lengths are 2.73 Å.
ThIr5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Th is bonded in a distorted hexagonal planar geometry to eighteen Ir atoms. There are six shorter (3.08 Å) and twelve longer (3.45 Å) Th–Ir bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 12-coordinate geometry to three equivalent Th and nine Ir atoms. There are six shorter (2.67 Å) and three longer (3.08 Å) Ir–Ir bond lengths. In the second Ir site, Ir is bonded to four equivalent Th and eight Ir atoms to form a mixture of edge, corner, and face-sharing IrTh4Ir8 cuboctahedra. All Ir–Ir bond lengths are 2.67 Å.
Th7Ir3 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are three inequivalent Th sites. In the first Th site, Th is bonded in a distorted water-like geometry to two equivalent Ir atoms. Both Th–Ir bond lengths are 2.90 Å. In the second Th site, Th is bonded in a 3-coordinate geometry to three equivalent Ir atoms. There are two shorter (2.92 Å) and one longer (2.99 Å) Th–Ir bond lengths. In the third Th site, Th is bonded in a 3-coordinate geometry to three equivalent Ir atoms. All Th–Ir bond lengths are 3.01 Å. Ir is bonded in a 6-coordinate geometry to six Th atoms.