Zr5Ti5Pb6 crystallizes in the orthorhombic Amm2 space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 5-coordinate geometry to one Pb(1), two equivalent Pb(2), and two equivalent Pb(4) atoms. In the second Zr site, Zr(2) is bonded in a 5-coordinate geometry to one Pb(3), two equivalent Pb(1), and two equivalent Pb(4) atoms. In the third Zr site, Zr(3) is bonded in a 5-coordinate geometry to one Pb(3), two equivalent Pb(2), and two equivalent Pb(4) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 6-coordinate geometry to one Pb(1), one Pb(3), two equivalent Pb(2), and two equivalent Pb(4) atoms. In the second Ti site, Ti(2) is bonded in a 5-coordinate geometry to one Pb(1), two equivalent Pb(2), and two equivalent Pb(3) atoms. There are four inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 9-coordinate geometry to two equivalent Zr(1), two equivalent Zr(2), one Ti(2), and four equivalent Ti(1) atoms. In the second Pb site, Pb(2) is bonded in a 9-coordinate geometry to two equivalent Zr(1), two equivalent Zr(3), one Ti(2), and four equivalent Ti(1) atoms. In the third Pb site, Pb(3) is bonded in a 9-coordinate geometry to one Zr(2), two equivalent Zr(3), two equivalent Ti(2), and four equivalent Ti(1) atoms. In the fourth Pb site, Pb(4) is bonded in a 9-coordinate geometry to one Zr(2), two equivalent Zr(1), two equivalent Zr(3), and four equivalent Ti(1) atoms.
Zr5Ti5Pb6 crystallizes in the orthorhombic Amm2 space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 5-coordinate geometry to one Pb(1), two equivalent Pb(2), and two equivalent Pb(4) atoms. The Zr(1)-Pb(1) bond length is 2.94 Å. There is one shorter (2.94 Å) and one longer (3.09 Å) Zr(1)-Pb(2) bond length. Both Zr(1)-Pb(4) bond lengths are 3.15 Å. In the second Zr site, Zr(2) is bonded in a 5-coordinate geometry to one Pb(3), two equivalent Pb(1), and two equivalent Pb(4) atoms. The Zr(2)-Pb(3) bond length is 3.03 Å. Both Zr(2)-Pb(1) bond lengths are 3.10 Å. Both Zr(2)-Pb(4) bond lengths are 2.92 Å. In the third Zr site, Zr(3) is bonded in a 5-coordinate geometry to one Pb(3), two equivalent Pb(2), and two equivalent Pb(4) atoms. The Zr(3)-Pb(3) bond length is 2.93 Å. Both Zr(3)-Pb(2) bond lengths are 3.14 Å. There is one shorter (2.95 Å) and one longer (3.07 Å) Zr(3)-Pb(4) bond length. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 6-coordinate geometry to one Pb(1), one Pb(3), two equivalent Pb(2), and two equivalent Pb(4) atoms. The Ti(1)-Pb(1) bond length is 2.91 Å. The Ti(1)-Pb(3) bond length is 2.94 Å. There is one shorter (2.95 Å) and one longer (2.96 Å) Ti(1)-Pb(2) bond length. There is one shorter (2.91 Å) and one longer (2.94 Å) Ti(1)-Pb(4) bond length. In the second Ti site, Ti(2) is bonded in a 5-coordinate geometry to one Pb(1), two equivalent Pb(2), and two equivalent Pb(3) atoms. The Ti(2)-Pb(1) bond length is 2.90 Å. Both Ti(2)-Pb(2) bond lengths are 2.83 Å. Both Ti(2)-Pb(3) bond lengths are 3.05 Å. There are four inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 9-coordinate geometry to two equivalent Zr(1), two equivalent Zr(2), one Ti(2), and four equivalent Ti(1) atoms. In the second Pb site, Pb(2) is bonded in a 9-coordinate geometry to two equivalent Zr(1), two equivalent Zr(3), one Ti(2), and four equivalent Ti(1) atoms. In the third Pb site, Pb(3) is bonded in a 9-coordinate geometry to one Zr(2), two equivalent Zr(3), two equivalent Ti(2), and four equivalent Ti(1) atoms. In the fourth Pb site, Pb(4) is bonded in a 9-coordinate geometry to one Zr(2), two equivalent Zr(1), two equivalent Zr(3), and four equivalent Ti(1) atoms.