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(Hg)3C is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one methane molecule and one Hg framework. In the Hg framework, Hg+1.33+ is bonded in a 8-coordinate geometry to eight equivalent Hg+1.33+ atoms. All Hg–Hg bond lengths are 3.03 Å.
CHg is Wurtzite structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Hg2+ is bonded to four equivalent C2- atoms to form corner-sharing HgC4 tetrahedra. There are one shorter (2.24 Å) and three longer (2.27 Å) Hg–C bond lengths. C2- is bonded to four equivalent Hg2+ atoms to form corner-sharing CHg4 tetrahedra.