Zr5CuIn3 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to two equivalent Cu(1) and five equivalent In(1) atoms to form a mixture of distorted face, corner, and edge-sharing ZrIn5Cu2 pentagonal bipyramids. In the second Zr site, Zr(2) is bonded in a 8-coordinate geometry to two equivalent Zr(2) and six equivalent In(1) atoms. Cu(1) is bonded to six equivalent Zr(1) atoms to form distorted face-sharing CuZr6 octahedra. In(1) is bonded in a 9-coordinate geometry to four equivalent Zr(2) and five equivalent Zr(1) atoms.
Zr5CuIn3 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to two equivalent Cu(1) and five equivalent In(1) atoms to form a mixture of distorted face, corner, and edge-sharing ZrIn5Cu2 pentagonal bipyramids. Both Zr(1)-Cu(1) bond lengths are 2.81 Å. There are a spread of Zr(1)-In(1) bond distances ranging from 2.98-3.14 Å. In the second Zr site, Zr(2) is bonded in a 8-coordinate geometry to two equivalent Zr(2) and six equivalent In(1) atoms. Both Zr(2)-Zr(2) bond lengths are 2.99 Å. All Zr(2)-In(1) bond lengths are 3.15 Å. Cu(1) is bonded to six equivalent Zr(1) atoms to form distorted face-sharing CuZr6 octahedra. In(1) is bonded in a 9-coordinate geometry to four equivalent Zr(2) and five equivalent Zr(1) atoms.