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HgN is Wurtzite structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Hg2+ is bonded to four equivalent N2- atoms to form corner-sharing HgN4 tetrahedra. There are one shorter (2.20 Å) and three longer (2.27 Å) Hg–N bond lengths. N2- is bonded to four equivalent Hg2+ atoms to form corner-sharing NHg4 tetrahedra.
Cu(HgN)2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Cu2+ is bonded in a square co-planar geometry to four N3- atoms. There are two shorter (2.09 Å) and two longer (2.10 Å) Cu–N bond lengths. Hg2+ is bonded in a linear geometry to two N3- atoms. There are one shorter (2.23 Å) and one longer (2.24 Å) Hg–N bond lengths. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a square co-planar geometry to two equivalent Cu2+ and two equivalent Hg2+ atoms. In the second N3- site, N3- is bonded in a square co-planar geometry to two equivalent Cu2+ and two equivalent Hg2+ atoms.