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YScZn2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two YScZn2 ribbons oriented in the (1, 0, 0) direction. Y is bonded in a linear geometry to two equivalent Zn atoms. Both Y–Zn bond lengths are 2.96 Å. Sc is bonded in a linear geometry to two equivalent Zn atoms. Both Sc–Zn bond lengths are 2.77 Å. Zn is bonded in a linear geometry to one Y and one Sc atom.
YScZn2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Y is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Y–Zn bond lengths are 3.01 Å. Sc is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Sc–Zn bond lengths are 3.01 Å. Zn is bonded in a body-centered cubic geometry to four equivalent Y and four equivalent Sc atoms.