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Mg2IrPd crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Mg2IrPd ribbons oriented in the (1, 0, 0) direction. Mg is bonded in a linear geometry to one Ir and one Pd atom. The Mg–Ir bond length is 2.51 Å. The Mg–Pd bond length is 2.48 Å. Ir is bonded in a linear geometry to two equivalent Mg atoms. Pd is bonded in a linear geometry to two equivalent Mg atoms.
Mg2IrPd 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 Pd atoms. All Mg–Ir bond lengths are 2.72 Å. All Mg–Pd bond lengths are 2.72 Å. Ir is bonded in a body-centered cubic geometry to eight equivalent Mg atoms. Pd is bonded in a body-centered cubic geometry to eight equivalent Mg atoms.