Ni3In is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to eight Ni(1,1) and four equivalent In(1) atoms to form distorted NiIn4Ni8 cuboctahedra that share corners with four equivalent In(1)Ni12 cuboctahedra; corners with fourteen Ni(1,1)In4Ni8 cuboctahedra; edges with six equivalent In(1)Ni12 cuboctahedra; edges with twelve Ni(1,1)In4Ni8 cuboctahedra; faces with four equivalent In(1)Ni12 cuboctahedra; and faces with sixteen Ni(1,1)In4Ni8 cuboctahedra. In the second Ni site, Ni(1) is bonded to eight Ni(1,1) and four equivalent In(1) atoms to form distorted NiIn4Ni8 cuboctahedra that share corners with four equivalent In(1)Ni12 cuboctahedra; corners with fourteen Ni(1,1)In4Ni8 cuboctahedra; edges with six equivalent In(1)Ni12 cuboctahedra; edges with twelve Ni(1,1)In4Ni8 cuboctahedra; faces with four equivalent In(1)Ni12 cuboctahedra; and faces with sixteen Ni(1,1)In4Ni8 cuboctahedra. In(1) is bonded to twelve Ni(1,1) atoms to form InNi12 cuboctahedra that share corners with six equivalent In(1)Ni12 cuboctahedra; corners with twelve Ni(1,1)In4Ni8 cuboctahedra; edges with eighteen Ni(1,1)In4Ni8 cuboctahedra; faces with eight equivalent In(1)Ni12 cuboctahedra; and faces with twelve Ni(1,1)In4Ni8 cuboctahedra.
Ni3In is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to eight Ni(1,1) and four equivalent In(1) atoms to form distorted NiIn4Ni8 cuboctahedra that share corners with four equivalent In(1)Ni12 cuboctahedra; corners with fourteen Ni(1,1)In4Ni8 cuboctahedra; edges with six equivalent In(1)Ni12 cuboctahedra; edges with twelve Ni(1,1)In4Ni8 cuboctahedra; faces with four equivalent In(1)Ni12 cuboctahedra; and faces with sixteen Ni(1,1)In4Ni8 cuboctahedra. There are a spread of Ni(1)-Ni(1,1) bond distances ranging from 2.47-2.82 Å. All Ni(1)-In(1) bond lengths are 2.65 Å. In the second Ni site, Ni(1) is bonded to eight Ni(1,1) and four equivalent In(1) atoms to form distorted NiIn4Ni8 cuboctahedra that share corners with four equivalent In(1)Ni12 cuboctahedra; corners with fourteen Ni(1,1)In4Ni8 cuboctahedra; edges with six equivalent In(1)Ni12 cuboctahedra; edges with twelve Ni(1,1)In4Ni8 cuboctahedra; faces with four equivalent In(1)Ni12 cuboctahedra; and faces with sixteen Ni(1,1)In4Ni8 cuboctahedra. There is one shorter (2.47 Å) and one longer (2.82 Å) Ni(1)-Ni(1) bond length. All Ni(1)-In(1) bond lengths are 2.65 Å. In(1) is bonded to twelve Ni(1,1) atoms to form InNi12 cuboctahedra that share corners with six equivalent In(1)Ni12 cuboctahedra; corners with twelve Ni(1,1)In4Ni8 cuboctahedra; edges with eighteen Ni(1,1)In4Ni8 cuboctahedra; faces with eight equivalent In(1)Ni12 cuboctahedra; and faces with twelve Ni(1,1)In4Ni8 cuboctahedra.