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MgPtZn2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two MgPtZn2 ribbons oriented in the (1, 0, 0) direction. Mg is bonded in a linear geometry to two equivalent Zn atoms. Both Mg–Zn bond lengths are 2.69 Å. Pt is bonded in a linear geometry to two equivalent Zn atoms. Both Pt–Zn bond lengths are 2.42 Å. Zn is bonded in a linear geometry to one Mg and one Pt atom.
MgPtZn2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a distorted body-centered cubic geometry to six equivalent Pt and eight equivalent Zn atoms. All Mg–Pt bond lengths are 3.13 Å. All Mg–Zn bond lengths are 2.71 Å. Pt is bonded in a distorted body-centered cubic geometry to six equivalent Mg and eight equivalent Zn atoms. All Pt–Zn bond lengths are 2.71 Å. Zn is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Pt atoms.