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Mg2IrPt crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Mg2IrPt ribbons oriented in the (1, 0, 0) direction. Mg is bonded in a linear geometry to one Ir and one Pt atom. The Mg–Ir bond length is 2.53 Å. The Mg–Pt bond length is 2.46 Å. Ir is bonded in a linear geometry to two equivalent Mg atoms. Pt is bonded in a linear geometry to two equivalent Mg atoms.
Mg2IrPt 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 Ir and four equivalent Pt atoms. All Mg–Ir bond lengths are 2.72 Å. All Mg–Pt bond lengths are 2.72 Å. Ir is bonded in a body-centered cubic geometry to eight equivalent Mg atoms. Pt is bonded in a body-centered cubic geometry to eight equivalent Mg atoms.