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MgSc2Hg crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two MgSc2Hg ribbons oriented in the (1, 0, 0) direction. Mg is bonded in a linear geometry to two equivalent Sc atoms. Both Mg–Sc bond lengths are 3.04 Å. Sc is bonded in a linear geometry to one Mg and one Hg atom. The Sc–Hg bond length is 2.90 Å. Hg is bonded in a linear geometry to two equivalent Sc atoms.
MgSc2Hg 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 eight equivalent Sc atoms. All Mg–Sc bond lengths are 3.07 Å. Sc is bonded in a distorted body-centered cubic geometry to four equivalent Mg and four equivalent Hg atoms. All Sc–Hg bond lengths are 3.07 Å. Hg is bonded in a body-centered cubic geometry to eight equivalent Sc atoms.