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OsAu3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Os2- is bonded to twelve equivalent Au+0.67+ atoms to form a mixture of corner and face-sharing OsAu12 cuboctahedra. All Os–Au bond lengths are 2.89 Å. Au+0.67+ is bonded in a square co-planar geometry to four equivalent Os2- atoms.
OsAu3 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Os2- is bonded to twelve Au+0.67+ atoms to form a mixture of edge, corner, and face-sharing OsAu12 cuboctahedra. There are eight shorter (2.86 Å) and four longer (2.96 Å) Os–Au bond lengths. There are two inequivalent Au+0.67+ sites. In the first Au+0.67+ site, Au+0.67+ is bonded in a 4-coordinate geometry to four equivalent Os2- atoms. In the second Au+0.67+ site, Au+0.67+ is bonded in a distorted square co-planar geometry to four equivalent Os2- atoms.