Zr5Pb3Te 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 five equivalent Pb(1) and two equivalent Te(1) atoms to form a mixture of distorted edge, corner, and face-sharing ZrTe2Pb5 pentagonal bipyramids. Pb(1) is bonded in a 9-coordinate geometry to four equivalent Zr(1) and five equivalent Zr(2) atoms. Te(1) is bonded to six equivalent Zr(2) atoms to form face-sharing TeZr6 octahedra.
Zr5Pb3Te 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 3.14 Å. In the second Zr site, Zr(2) is bonded to five equivalent Pb(1) and two equivalent Te(1) atoms to form a mixture of distorted edge, corner, and face-sharing ZrTe2Pb5 pentagonal bipyramids. There are a spread of Zr(2)-Pb(1) bond distances ranging from 2.95-3.24 Å. Both Zr(2)-Te(1) bond lengths are 2.90 Å. Pb(1) is bonded in a 9-coordinate geometry to four equivalent Zr(1) and five equivalent Zr(2) atoms. Te(1) is bonded to six equivalent Zr(2) atoms to form face-sharing TeZr6 octahedra.