Nd5CuBi3 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 6-coordinate geometry to six equivalent Bi(1) atoms. In the second Nd site, Nd(2) is bonded to two equivalent Cu(1) and five equivalent Bi(1) atoms to form a mixture of distorted edge, face, and corner-sharing NdCu2Bi5 pentagonal bipyramids. Cu(1) is bonded to six equivalent Nd(2) atoms to form face-sharing CuNd6 octahedra. Bi(1) is bonded in a 9-coordinate geometry to four equivalent Nd(1) and five equivalent Nd(2) atoms.
Nd5CuBi3 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 6-coordinate geometry to six equivalent Bi(1) atoms. All Nd(1)-Bi(1) bond lengths are 3.42 Å. In the second Nd site, Nd(2) is bonded to two equivalent Cu(1) and five equivalent Bi(1) atoms to form a mixture of distorted edge, face, and corner-sharing NdCu2Bi5 pentagonal bipyramids. Both Nd(2)-Cu(1) bond lengths are 2.95 Å. There are a spread of Nd(2)-Bi(1) bond distances ranging from 3.26-3.54 Å. Cu(1) is bonded to six equivalent Nd(2) atoms to form face-sharing CuNd6 octahedra. Bi(1) is bonded in a 9-coordinate geometry to four equivalent Nd(1) and five equivalent Nd(2) atoms.