Zr5GaPb3 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 Ga(1) and five equivalent Pb(1) atoms to form a mixture of distorted corner, face, and edge-sharing ZrGa2Pb5 pentagonal bipyramids. Ga(1) is bonded to six equivalent Zr(2) atoms to form face-sharing GaZr6 octahedra. Pb(1) is bonded in a 9-coordinate geometry to four equivalent Zr(1) and five equivalent Zr(2) atoms.
Zr5GaPb3 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 3.10 Å. In the second Zr site, Zr(2) is bonded to two equivalent Ga(1) and five equivalent Pb(1) atoms to form a mixture of distorted corner, face, and edge-sharing ZrGa2Pb5 pentagonal bipyramids. Both Zr(2)-Ga(1) bond lengths are 2.75 Å. There are a spread of Zr(2)-Pb(1) bond distances ranging from 3.02-3.18 Å. Ga(1) is bonded to six equivalent Zr(2) atoms to form face-sharing GaZr6 octahedra. Pb(1) is bonded in a 9-coordinate geometry to four equivalent Zr(1) and five equivalent Zr(2) atoms.