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PdHg is Tetraauricupride structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Pd is bonded to eight equivalent Hg atoms to form a mixture of distorted face, edge, and corner-sharing PdHg8 cuboctahedra. All Pd–Hg bond lengths are 2.90 Å. Hg is bonded to eight equivalent Pd atoms to form a mixture of distorted face, edge, and corner-sharing HgPd8 cuboctahedra.
PdHg is alpha-derived structured and crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Pd is bonded in a 7-coordinate geometry to seven equivalent Hg atoms. There are a spread of Pd–Hg bond distances ranging from 2.83–2.87 Å. Hg is bonded in a 7-coordinate geometry to seven equivalent Pd atoms.