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Sc2CoNi crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Sc2CoNi ribbons oriented in the (1, 0, 0) direction. Sc is bonded in a linear geometry to one Co and one Ni atom. The Sc–Co bond length is 2.14 Å. The Sc–Ni bond length is 2.34 Å. Co is bonded in a linear geometry to two equivalent Sc atoms. Ni is bonded in a linear geometry to two equivalent Sc atoms.
Sc2CoNi 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 Ni atoms. All Sc–Co bond lengths are 2.71 Å. All Sc–Ni bond lengths are 2.71 Å. Co is bonded in a body-centered cubic geometry to eight equivalent Sc atoms. Ni is bonded in a body-centered cubic geometry to eight equivalent Sc atoms.