ScNi3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Sc(1) is bonded to twelve equivalent Ni(1) atoms to form ScNi12 cuboctahedra that share corners with six equivalent Sc(1)Ni12 cuboctahedra, corners with twelve equivalent Ni(1)Sc4Ni8 cuboctahedra, edges with eighteen equivalent Ni(1)Sc4Ni8 cuboctahedra, faces with eight equivalent Sc(1)Ni12 cuboctahedra, and faces with twelve equivalent Ni(1)Sc4Ni8 cuboctahedra. Ni(1) is bonded to four equivalent Sc(1) and eight equivalent Ni(1) atoms to form distorted NiSc4Ni8 cuboctahedra that share corners with four equivalent Sc(1)Ni12 cuboctahedra, corners with fourteen equivalent Ni(1)Sc4Ni8 cuboctahedra, edges with six equivalent Sc(1)Ni12 cuboctahedra, edges with twelve equivalent Ni(1)Sc4Ni8 cuboctahedra, faces with four equivalent Sc(1)Ni12 cuboctahedra, and faces with sixteen equivalent Ni(1)Sc4Ni8 cuboctahedra.
ScNi3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Sc(1) is bonded to twelve equivalent Ni(1) atoms to form ScNi12 cuboctahedra that share corners with six equivalent Sc(1)Ni12 cuboctahedra, corners with twelve equivalent Ni(1)Sc4Ni8 cuboctahedra, edges with eighteen equivalent Ni(1)Sc4Ni8 cuboctahedra, faces with eight equivalent Sc(1)Ni12 cuboctahedra, and faces with twelve equivalent Ni(1)Sc4Ni8 cuboctahedra. There are six shorter (2.64 Å) and six longer (2.65 Å) Sc(1)-Ni(1) bond lengths. Ni(1) is bonded to four equivalent Sc(1) and eight equivalent Ni(1) atoms to form distorted NiSc4Ni8 cuboctahedra that share corners with four equivalent Sc(1)Ni12 cuboctahedra, corners with fourteen equivalent Ni(1)Sc4Ni8 cuboctahedra, edges with six equivalent Sc(1)Ni12 cuboctahedra, edges with twelve equivalent Ni(1)Sc4Ni8 cuboctahedra, faces with four equivalent Sc(1)Ni12 cuboctahedra, and faces with sixteen equivalent Ni(1)Sc4Ni8 cuboctahedra. There are a spread of Ni(1)-Ni(1) bond distances ranging from 2.45-2.82 Å.