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HgPb2 crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of two HgPb2 ribbons oriented in the (0, 1, 0) direction. Hg is bonded in a distorted rectangular see-saw-like geometry to four equivalent Pb atoms. All Hg–Pb bond lengths are 3.41 Å. Pb is bonded in a 8-coordinate geometry to two equivalent Hg atoms.
HgPb2(OCl)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Hg2+ is bonded in a distorted linear geometry to two equivalent O2- and four equivalent Cl1- atoms. Both Hg–O bond lengths are 2.08 Å. All Hg–Cl bond lengths are 3.06 Å. Pb2+ is bonded in a 3-coordinate geometry to three equivalent O2- and five equivalent Cl1- atoms. There are one shorter (2.40 Å) and two longer (2.44 Å) Pb–O bond lengths. There are a spread of Pb–Cl bond distances ranging from 3.34–3.47 Å. O2- is bonded to one Hg2+ and three equivalent Pb2+ atoms to form a mixture of corner and edge-sharing OHgPb3 tetrahedra. Cl1- is bonded in a 7-coordinate geometry to two equivalent Hg2+ and five equivalent Pb2+ atoms.