Ta5Ni crystallizes in the cubic Fd-3m space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a distorted trigonal non-coplanar geometry to six equivalent Ta(2) and three equivalent Ni(1) atoms. In the second Ta site, Ta(2) is bonded in a 14-coordinate geometry to four equivalent Ta(1), eight equivalent Ta(2), and two equivalent Ni(1) atoms. Ni(1) is bonded to six equivalent Ta(1) and six equivalent Ta(2) atoms to form distorted face-sharing NiTa12 cuboctahedra.
Ta5Ni crystallizes in the cubic Fd-3m space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a distorted trigonal non-coplanar geometry to six equivalent Ta(2) and three equivalent Ni(1) atoms. There are three shorter (2.77 Å) and three longer (3.06 Å) Ta(1)-Ta(2) bond lengths. All Ta(1)-Ni(1) bond lengths are 2.60 Å. In the second Ta site, Ta(2) is bonded in a 14-coordinate geometry to four equivalent Ta(1), eight equivalent Ta(2), and two equivalent Ni(1) atoms. There are four shorter (3.14 Å) and four longer (3.16 Å) Ta(2)-Ta(2) bond lengths. Both Ta(2)-Ni(1) bond lengths are 3.07 Å. Ni(1) is bonded to six equivalent Ta(1) and six equivalent Ta(2) atoms to form distorted face-sharing NiTa12 cuboctahedra.