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Tb(IrB)2 crystallizes in the tetragonal P4_2/n space group. The structure is zero-dimensional and consists of four terbium molecules and eight IrB clusters. In each IrB cluster, Ir is bonded in a single-bond geometry to one B atom. The Ir–B bond length is 1.78 Å. B is bonded in a single-bond geometry to one Ir atom.
Tb(IrB)2 is alpha Pu-derived structured and crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Tb is bonded in a 2-coordinate geometry to eight equivalent Ir and ten equivalent B atoms. There are four shorter (3.06 Å) and four longer (3.22 Å) Tb–Ir bond lengths. There are a spread of Tb–B bond distances ranging from 2.99–3.35 Å. Ir is bonded in a 4-coordinate geometry to four equivalent Tb and four equivalent B atoms. There are two shorter (2.09 Å) and two longer (2.18 Å) Ir–B bond lengths. B is bonded in a 4-coordinate geometry to five equivalent Tb and four equivalent Ir atoms.