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ScNi is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sc is bonded in a body-centered cubic geometry to eight equivalent Ni atoms. All Sc–Ni bond lengths are 2.74 Å. Ni is bonded in a body-centered cubic geometry to eight equivalent Sc atoms.
ScNi5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Sc is bonded in a distorted hexagonal planar geometry to eighteen Ni atoms. There are six shorter (2.73 Å) and twelve longer (3.08 Å) Sc–Ni bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to four equivalent Sc and eight Ni atoms to form a mixture of edge, face, and corner-sharing NiSc4Ni8 cuboctahedra. There are four shorter (2.36 Å) and four longer (2.40 Å) Ni–Ni bond lengths. In the second Ni site, Ni is bonded to three equivalent Sc and nine Ni atoms to form distorted NiSc3Ni9 cuboctahedra that share corners with twenty-one NiSc4Ni8 cuboctahedra, edges with six equivalent NiSc3Ni9 cuboctahedra, and faces with twenty-three NiSc4Ni8 cuboctahedra. All Ni–Ni bond lengths are 2.73 Å.
ScNi2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Sc is bonded in a 12-coordinate geometry to twelve equivalent Ni atoms. All Sc–Ni bond lengths are 2.85 Å. Ni is bonded to six equivalent Sc and six equivalent Ni atoms to form a mixture of edge, corner, and face-sharing NiSc6Ni6 cuboctahedra. All Ni–Ni bond lengths are 2.43 Å.
ScNi3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sc is bonded to twelve Ni atoms to form ScNi12 cuboctahedra that share corners with six equivalent ScNi12 cuboctahedra, corners with twelve NiSc4Ni8 cuboctahedra, edges with eighteen NiSc4Ni8 cuboctahedra, faces with eight equivalent ScNi12 cuboctahedra, and faces with twelve NiSc4Ni8 cuboctahedra. There are six shorter (2.65 Å) and six longer (2.66 Å) Sc–Ni bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to four equivalent Sc and eight Ni atoms to form distorted NiSc4Ni8 cuboctahedra that share corners with four equivalent ScNi12 cuboctahedra, corners with fourteen equivalent NiSc4Ni8 cuboctahedra, edges with six equivalent ScNi12 cuboctahedra, edges with twelve NiSc4Ni8 cuboctahedra, faces with four equivalent ScNi12 cuboctahedra, and faces with sixteen NiSc4Ni8 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.51–2.79 Å. In the second Ni site, Ni is bonded to four equivalent Sc and eight equivalent Ni atoms to form distorted NiSc4Ni8 cuboctahedra that share corners with four equivalent ScNi12 cuboctahedra, corners with fourteen NiSc4Ni8 cuboctahedra, edges with six equivalent ScNi12 cuboctahedra, edges with twelve equivalent NiSc4Ni8 cuboctahedra, faces with four equivalent ScNi12 cuboctahedra, and faces with sixteen NiSc4Ni8 cuboctahedra.
ScNi3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sc is bonded to twelve equivalent Ni atoms to form ScNi12 cuboctahedra that share corners with twelve equivalent ScNi12 cuboctahedra, edges with twenty-four equivalent NiSc4Ni8 cuboctahedra, faces with six equivalent ScNi12 cuboctahedra, and faces with twelve equivalent NiSc4Ni8 cuboctahedra. All Sc–Ni bond lengths are 2.63 Å. Ni is bonded to four equivalent Sc and eight equivalent Ni atoms to form distorted NiSc4Ni8 cuboctahedra that share corners with twelve equivalent NiSc4Ni8 cuboctahedra, edges with eight equivalent ScNi12 cuboctahedra, edges with sixteen equivalent NiSc4Ni8 cuboctahedra, faces with four equivalent ScNi12 cuboctahedra, and faces with fourteen equivalent NiSc4Ni8 cuboctahedra. All Ni–Ni bond lengths are 2.63 Å.