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Sc2ZnIn crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Sc2ZnIn ribbons oriented in the (1, 0, 0) direction. Sc is bonded in a linear geometry to one Zn and one In atom. The Sc–Zn bond length is 2.86 Å. The Sc–In bond length is 2.92 Å. Zn is bonded in a linear geometry to two equivalent Sc atoms. In is bonded in a linear geometry to two equivalent Sc atoms.
Sc2ZnIn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a body-centered cubic geometry to four equivalent Zn and four equivalent In atoms. All Sc–Zn bond lengths are 3.01 Å. All Sc–In bond lengths are 3.01 Å. Zn is bonded in a body-centered cubic geometry to eight equivalent Sc atoms. In is bonded in a body-centered cubic geometry to eight equivalent Sc atoms.