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ScCuZn2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two ScCuZn2 ribbons oriented in the (0, 1, 0) direction. Sc is bonded in a linear geometry to two equivalent Zn atoms. Both Sc–Zn bond lengths are 2.84 Å. Cu is bonded in a linear geometry to two equivalent Zn atoms. Both Cu–Zn bond lengths are 2.41 Å. Zn is bonded in a linear geometry to one Sc and one Cu atom.
ScCuZn2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a distorted body-centered cubic geometry to six equivalent Cu and eight equivalent Zn atoms. All Sc–Cu bond lengths are 3.13 Å. All Sc–Zn bond lengths are 2.71 Å. Cu is bonded in a distorted body-centered cubic geometry to six equivalent Sc and eight equivalent Zn atoms. All Cu–Zn bond lengths are 2.71 Å. Zn is bonded in a body-centered cubic geometry to four equivalent Sc and four equivalent Cu atoms.