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SrMgHg2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two SrMgHg2 ribbons oriented in the (0, 1, 0) direction. Sr is bonded in a linear geometry to two equivalent Hg atoms. Both Sr–Hg bond lengths are 3.60 Å. Mg is bonded in a linear geometry to two equivalent Hg atoms. Both Mg–Hg bond lengths are 3.14 Å. Hg is bonded in a linear geometry to one Sr and one Mg atom.
SrMgHg2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sr is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Sr–Hg bond lengths are 3.25 Å. Mg is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Mg–Hg bond lengths are 3.25 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Sr and four equivalent Mg atoms.