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Sc2PdNi crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Sc2PdNi ribbons oriented in the (1, 0, 0) direction. Sc is bonded in a linear geometry to one Pd and one Ni atom. The Sc–Pd bond length is 2.47 Å. The Sc–Ni bond length is 2.26 Å. Pd is bonded in a linear geometry to two equivalent Sc atoms. Ni is bonded in a linear geometry to two equivalent Sc atoms.
Sc2PdNi 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 Pd and four equivalent Ni atoms. All Sc–Pd bond lengths are 2.81 Å. All Sc–Ni bond lengths are 2.81 Å. Pd 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.