Zr5InPb3 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 6-coordinate geometry to six equivalent Pb(1) atoms. In the second Zr site, Zr(2) is bonded to two equivalent In(1) and five equivalent Pb(1) atoms to form a mixture of distorted face, corner, and edge-sharing ZrIn2Pb5 pentagonal bipyramids. In(1) is bonded to six equivalent Zr(2) atoms to form distorted face-sharing InZr6 octahedra. Pb(1) is bonded in a 9-coordinate geometry to four equivalent Zr(1) and five equivalent Zr(2) atoms.
Zr5InPb3 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 6-coordinate geometry to six equivalent Pb(1) atoms. All Zr(1)-Pb(1) bond lengths are 3.15 Å. In the second Zr site, Zr(2) is bonded to two equivalent In(1) and five equivalent Pb(1) atoms to form a mixture of distorted face, corner, and edge-sharing ZrIn2Pb5 pentagonal bipyramids. Both Zr(2)-In(1) bond lengths are 2.90 Å. There are a spread of Zr(2)-Pb(1) bond distances ranging from 3.01-3.16 Å. In(1) is bonded to six equivalent Zr(2) atoms to form distorted face-sharing InZr6 octahedra. Pb(1) is bonded in a 9-coordinate geometry to four equivalent Zr(1) and five equivalent Zr(2) atoms.