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MgMnPd2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two MgMnPd2 ribbons oriented in the (1, 0, 0) direction. Mg is bonded in a linear geometry to two equivalent Pd atoms. Both Mg–Pd bond lengths are 2.53 Å. Mn is bonded in a linear geometry to two equivalent Pd atoms. Both Mn–Pd bond lengths are 2.41 Å. Pd is bonded in a linear geometry to one Mg and one Mn atom.
MgMnPd2 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 Pd atoms. All Mg–Pd bond lengths are 2.72 Å. Mn is bonded in a body-centered cubic geometry to eight equivalent Pd atoms. All Mn–Pd bond lengths are 2.72 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Mn atoms.