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Sc2CoCu crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Sc2CoCu ribbons oriented in the (1, 0, 0) direction. Sc is bonded in a linear geometry to one Co and one Cu atom. The Sc–Co bond length is 2.08 Å. The Sc–Cu bond length is 2.64 Å. Co is bonded in a linear geometry to two equivalent Sc atoms. Cu is bonded in a linear geometry to two equivalent Sc atoms.
Sc2CoCu 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 Co and four equivalent Cu atoms. All Sc–Co bond lengths are 2.76 Å. All Sc–Cu bond lengths are 2.76 Å. Co is bonded in a body-centered cubic geometry to eight equivalent Sc atoms. Cu is bonded in a body-centered cubic geometry to eight equivalent Sc atoms.