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Ir3Hf is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Hf is bonded to twelve equivalent Ir atoms to form a mixture of face and corner-sharing HfIr12 cuboctahedra. All Hf–Ir bond lengths are 2.81 Å. Ir is bonded in a distorted square co-planar geometry to four equivalent Hf atoms.
HfIr is alpha-derived structured and crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Hf is bonded in a 7-coordinate geometry to seven equivalent Ir atoms. There are a spread of Hf–Ir bond distances ranging from 2.69–2.88 Å. Ir is bonded in a 7-coordinate geometry to seven equivalent Hf atoms.
HfIr is beta-prime cadmium gold structured and crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Hf is bonded in a distorted body-centered cubic geometry to eight equivalent Ir atoms. There are six shorter (2.81 Å) and two longer (3.02 Å) Hf–Ir bond lengths. Ir is bonded in a distorted body-centered cubic geometry to eight equivalent Hf atoms.