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TbIr2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to twelve equivalent Ir atoms. All Tb–Ir bond lengths are 3.15 Å. Ir is bonded to six equivalent Tb and six equivalent Ir atoms to form a mixture of corner, edge, and face-sharing IrTb6Ir6 cuboctahedra. All Ir–Ir bond lengths are 2.69 Å.
Tb3Ir is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 2-coordinate geometry to three equivalent Ir atoms. There are a spread of Tb–Ir bond distances ranging from 2.87–3.29 Å. In the second Tb site, Tb is bonded in a distorted bent 150 degrees geometry to two equivalent Ir atoms. There are one shorter (2.78 Å) and one longer (2.88 Å) Tb–Ir bond lengths. Ir is bonded in a 6-coordinate geometry to eight Tb atoms.