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Mg2HgCd crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Mg2HgCd ribbons oriented in the (1, 0, 0) direction. Mg is bonded in a linear geometry to one Hg and one Cd atom. The Mg–Hg bond length is 2.81 Å. The Mg–Cd bond length is 2.85 Å. Hg is bonded in a linear geometry to two equivalent Mg atoms. Cd is bonded in a linear geometry to two equivalent Mg atoms.
Mg2HgCd is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to four equivalent Hg and four equivalent Cd atoms. All Mg–Hg bond lengths are 3.02 Å. All Mg–Cd bond lengths are 3.02 Å. Hg is bonded in a body-centered cubic geometry to eight equivalent Mg atoms. Cd is bonded in a body-centered cubic geometry to eight equivalent Mg atoms.