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Hf2Au crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two Hf2Au sheets oriented in the (0, 0, 1) direction. Hf is bonded in a 12-coordinate geometry to four equivalent Au atoms. All Hf–Au bond lengths are 2.99 Å. Au is bonded in a body-centered cubic geometry to eight equivalent Hf atoms.
Hf3Au is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Hf is bonded in a distorted square co-planar geometry to four equivalent Au atoms. All Hf–Au bond lengths are 3.08 Å. Au is bonded to twelve equivalent Hf atoms to form a mixture of face and corner-sharing AuHf12 cuboctahedra.
AuHf is gamma CuTi structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Hf is bonded in a 10-coordinate geometry to six equivalent Au atoms. There are a spread of Hf–Au bond distances ranging from 2.86–3.30 Å. Au is bonded in a 10-coordinate geometry to six equivalent Hf and four equivalent Au atoms. All Au–Au bond lengths are 2.98 Å.
Au2Hf crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Hf is bonded in a distorted q6 geometry to ten equivalent Au atoms. There are eight shorter (2.93 Å) and two longer (2.94 Å) Hf–Au bond lengths. Au is bonded in a 10-coordinate geometry to five equivalent Hf atoms.