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OsHf is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Hf is bonded in a body-centered cubic geometry to eight equivalent Os atoms. All Hf–Os bond lengths are 2.82 Å. Os is bonded in a body-centered cubic geometry to eight equivalent Hf atoms.
HfOs2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Hf4+ is bonded in a 12-coordinate geometry to twelve Os2- atoms. There are a spread of Hf–Os bond distances ranging from 3.05–3.07 Å. There are two inequivalent Os2- sites. In the first Os2- site, Os2- is bonded to six equivalent Hf4+ and six equivalent Os2- atoms to form a mixture of corner, edge, and face-sharing OsHf6Os6 cuboctahedra. All Os–Os bond lengths are 2.65 Å. In the second Os2- site, Os2- is bonded to six equivalent Hf4+ and six Os2- atoms to form a mixture of corner, edge, and face-sharing OsHf6Os6 cuboctahedra. There are two shorter (2.51 Å) and two longer (2.71 Å) Os–Os bond lengths.
HfOs3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Hf4+ is bonded to twelve equivalent Os+1.33- atoms to form a mixture of corner and face-sharing HfOs12 cuboctahedra. All Hf–Os bond lengths are 2.81 Å. Os+1.33- is bonded in a distorted square co-planar geometry to four equivalent Hf4+ atoms.