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Hg3As crystallizes in the hexagonal P6_3/mmc space group. The structure is two-dimensional and consists of two Hg3As sheets oriented in the (0, 0, 1) direction. Hg1+ is bonded in a distorted hexagonal planar geometry to four equivalent Hg1+ and two equivalent As3- atoms. All Hg–Hg bond lengths are 3.06 Å. Both Hg–As bond lengths are 3.06 Å. As3- is bonded in a hexagonal planar geometry to six equivalent Hg1+ atoms.
(Hg)2AsHg is alpha Niobium phosphide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two AsHg sheets oriented in the (0, 0, 1) direction and two Hg sheets oriented in the (0, 0, 1) direction. In each AsHg sheet, Hg1+ is bonded in a square co-planar geometry to four equivalent As3- atoms. All Hg–As bond lengths are 2.98 Å. As3- is bonded in a square co-planar geometry to four equivalent Hg1+ atoms. In each Hg sheet, Hg1+ is bonded in a square co-planar geometry to four equivalent Hg1+ atoms. All Hg–Hg bond lengths are 2.98 Å.