Tb5CuBi3 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 6-coordinate geometry to six equivalent Bi(1) atoms. In the second Tb site, Tb(2) is bonded to two equivalent Cu(1) and five equivalent Bi(1) atoms to form a mixture of distorted edge, corner, and face-sharing TbCu2Bi5 pentagonal bipyramids. Cu(1) is bonded to six equivalent Tb(2) atoms to form face-sharing CuTb6 octahedra. Bi(1) is bonded in a 9-coordinate geometry to four equivalent Tb(1) and five equivalent Tb(2) atoms.
Tb5CuBi3 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 6-coordinate geometry to six equivalent Bi(1) atoms. All Tb(1)-Bi(1) bond lengths are 3.32 Å. In the second Tb site, Tb(2) is bonded to two equivalent Cu(1) and five equivalent Bi(1) atoms to form a mixture of distorted edge, corner, and face-sharing TbCu2Bi5 pentagonal bipyramids. Both Tb(2)-Cu(1) bond lengths are 2.88 Å. There are a spread of Tb(2)-Bi(1) bond distances ranging from 3.17-3.43 Å. Cu(1) is bonded to six equivalent Tb(2) atoms to form face-sharing CuTb6 octahedra. Bi(1) is bonded in a 9-coordinate geometry to four equivalent Tb(1) and five equivalent Tb(2) atoms.