Co2Ta is Hexagonal Laves-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are four inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 16-coordinate geometry to one Ta(1), three equivalent Ta(2), three equivalent Co(1), three equivalent Co(3), and six equivalent Co(2) atoms. In the second Ta site, Ta(2) is bonded in a 16-coordinate geometry to one Ta(2), three equivalent Ta(1), three equivalent Co(2), three equivalent Co(3), and six equivalent Co(1) atoms. In the third Ta site, Ta(2) is bonded in a 16-coordinate geometry to one Ta(2), three equivalent Ta(1), three equivalent Co(2), three equivalent Co(3), and six equivalent Co(1) atoms. In the fourth Ta site, Ta(1) is bonded in a 16-coordinate geometry to one Ta(1), three equivalent Ta(2), three equivalent Co(1), three equivalent Co(3), and six equivalent Co(2) atoms. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent Ta(1); four Ta(2,2); two equivalent Co(3); and four equivalent Co(1) atoms to form a mixture of face, edge, and corner-sharing CoTa6Co6 cuboctahedra. In the second Co site, Co(2) is bonded to two equivalent Ta(2); four Ta(1,1); two equivalent Co(3); and four equivalent Co(2) atoms to form a mixture of face, edge, and corner-sharing CoTa6Co6 cuboctahedra. In the third Co site, Co(3) is bonded to three equivalent Ta(1), three equivalent Ta(2), three equivalent Co(1), and three equivalent Co(2) atoms to form a mixture of face, edge, and corner-sharing CoTa6Co6 cuboctahedra.
Co2Ta is Hexagonal Laves-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are four inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 16-coordinate geometry to one Ta(1), three equivalent Ta(2), three equivalent Co(1), three equivalent Co(3), and six equivalent Co(2) atoms. The Ta(1)-Ta(1) bond length is 2.91 Å. All Ta(1)-Ta(2) bond lengths are 2.91 Å. All Ta(1)-Co(1) bond lengths are 2.77 Å. All Ta(1)-Co(3) bond lengths are 2.78 Å. All Ta(1)-Co(2) bond lengths are 2.79 Å. In the second Ta site, Ta(2) is bonded in a 16-coordinate geometry to one Ta(2), three equivalent Ta(1), three equivalent Co(2), three equivalent Co(3), and six equivalent Co(1) atoms. The Ta(2)-Ta(2) bond length is 2.86 Å. All Ta(2)-Ta(1) bond lengths are 2.91 Å. All Ta(2)-Co(2) bond lengths are 2.79 Å. All Ta(2)-Co(3) bond lengths are 2.79 Å. All Ta(2)-Co(1) bond lengths are 2.77 Å. In the third Ta site, Ta(2) is bonded in a 16-coordinate geometry to one Ta(2), three equivalent Ta(1), three equivalent Co(2), three equivalent Co(3), and six equivalent Co(1) atoms. All Ta(2)-Co(2) bond lengths are 2.79 Å. All Ta(2)-Co(3) bond lengths are 2.79 Å. All Ta(2)-Co(1) bond lengths are 2.77 Å. In the fourth Ta site, Ta(1) is bonded in a 16-coordinate geometry to one Ta(1), three equivalent Ta(2), three equivalent Co(1), three equivalent Co(3), and six equivalent Co(2) atoms. All Ta(1)-Ta(2) bond lengths are 2.91 Å. All Ta(1)-Co(1) bond lengths are 2.77 Å. All Ta(1)-Co(3) bond lengths are 2.78 Å. All Ta(1)-Co(2) bond lengths are 2.79 Å. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent Ta(1); four Ta(2,2); two equivalent Co(3); and four equivalent Co(1) atoms to form a mixture of face, edge, and corner-sharing CoTa6Co6 cuboctahedra. Both Co(1)-Co(3) bond lengths are 2.38 Å. All Co(1)-Co(1) bond lengths are 2.38 Å. In the second Co site, Co(2) is bonded to two equivalent Ta(2); four Ta(1,1); two equivalent Co(3); and four equivalent Co(2) atoms to form a mixture of face, edge, and corner-sharing CoTa6Co6 cuboctahedra. Both Co(2)-Co(3) bond lengths are 2.37 Å. There are two shorter (2.35 Å) and two longer (2.40 Å) Co(2)-Co(2) bond lengths. In the third Co site, Co(3) is bonded to three equivalent Ta(1), three equivalent Ta(2), three equivalent Co(1), and three equivalent Co(2) atoms to form a mixture of face, edge, and corner-sharing CoTa6Co6 cuboctahedra.