Zr2Ti3(PbO3)5 crystallizes in the monoclinic Cm space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a distorted trigonal non-coplanar geometry to one Pb(1), one O(1), and two equivalent O(7) atoms. In the second Zr site, Zr(2) is bonded in a distorted trigonal non-coplanar geometry to one Pb(2), one O(2), and two equivalent O(8) atoms. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a distorted trigonal non-coplanar geometry to one Pb(3), one O(3), and two equivalent O(9) atoms. In the second Ti site, Ti(2) is bonded in a distorted trigonal non-coplanar geometry to one Pb(4), one O(4), and two equivalent O(10) atoms. In the third Ti site, Ti(3) is bonded in a distorted trigonal non-coplanar geometry to one Pb(5), one O(5), and two equivalent O(6) atoms. There are five inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a distorted rectangular see-saw-like geometry to one Zr(1), one O(2), and two equivalent O(7) atoms. In the second Pb site, Pb(2) is bonded in a distorted rectangular see-saw-like geometry to one Zr(2), one O(3), and two equivalent O(8) atoms. In the third Pb site, Pb(3) is bonded in a 4-coordinate geometry to one Ti(1), one O(4), and two equivalent O(9) atoms. In the fourth Pb site, Pb(4) is bonded in a 4-coordinate geometry to one Ti(2), one O(5), and two equivalent O(10) atoms. In the fifth Pb site, Pb(5) is bonded in a distorted rectangular see-saw-like geometry to one Ti(3), one O(1), and two equivalent O(6) atoms. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Zr(1) and one Pb(5) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one Zr(2) and one Pb(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Ti(1) and one Pb(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Ti(2) and one Pb(3) atom. In the fifth O site, O(5) is bonded in a distorted linear geometry to one Ti(3) and one Pb(4) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Ti(3) and one Pb(5) atom. In the seventh O site, O(7) is bonded in a distorted linear geometry to one Zr(1) and one Pb(1) atom. In the eighth O site, O(8) is bonded in a distorted linear geometry to one Zr(2) and one Pb(2) atom. In the ninth O site, O(9) is bonded in a distorted linear geometry to one Ti(1) and one Pb(3) atom. In the tenth O site, O(10) is bonded in a distorted bent 150 degrees geometry to one Ti(2) and one Pb(4) atom.
Zr2Ti3(PbO3)5 crystallizes in the monoclinic Cm space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a distorted trigonal non-coplanar geometry to one Pb(1), one O(1), and two equivalent O(7) atoms. The Zr(1)-Pb(1) bond length is 3.06 Å. The Zr(1)-O(1) bond length is 1.92 Å. Both Zr(1)-O(7) bond lengths are 1.91 Å. In the second Zr site, Zr(2) is bonded in a distorted trigonal non-coplanar geometry to one Pb(2), one O(2), and two equivalent O(8) atoms. The Zr(2)-Pb(2) bond length is 3.07 Å. The Zr(2)-O(2) bond length is 1.91 Å. Both Zr(2)-O(8) bond lengths are 1.91 Å. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a distorted trigonal non-coplanar geometry to one Pb(3), one O(3), and two equivalent O(9) atoms. The Ti(1)-Pb(3) bond length is 3.11 Å. The Ti(1)-O(3) bond length is 1.77 Å. Both Ti(1)-O(9) bond lengths are 1.77 Å. In the second Ti site, Ti(2) is bonded in a distorted trigonal non-coplanar geometry to one Pb(4), one O(4), and two equivalent O(10) atoms. The Ti(2)-Pb(4) bond length is 3.12 Å. The Ti(2)-O(4) bond length is 1.77 Å. Both Ti(2)-O(10) bond lengths are 1.77 Å. In the third Ti site, Ti(3) is bonded in a distorted trigonal non-coplanar geometry to one Pb(5), one O(5), and two equivalent O(6) atoms. The Ti(3)-Pb(5) bond length is 3.09 Å. The Ti(3)-O(5) bond length is 1.77 Å. Both Ti(3)-O(6) bond lengths are 1.77 Å. There are five inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a distorted rectangular see-saw-like geometry to one Zr(1), one O(2), and two equivalent O(7) atoms. The Pb(1)-O(2) bond length is 2.14 Å. Both Pb(1)-O(7) bond lengths are 2.12 Å. In the second Pb site, Pb(2) is bonded in a distorted rectangular see-saw-like geometry to one Zr(2), one O(3), and two equivalent O(8) atoms. The Pb(2)-O(3) bond length is 2.15 Å. Both Pb(2)-O(8) bond lengths are 2.12 Å. In the third Pb site, Pb(3) is bonded in a 4-coordinate geometry to one Ti(1), one O(4), and two equivalent O(9) atoms. The Pb(3)-O(4) bond length is 2.16 Å. Both Pb(3)-O(9) bond lengths are 2.18 Å. In the fourth Pb site, Pb(4) is bonded in a 4-coordinate geometry to one Ti(2), one O(5), and two equivalent O(10) atoms. The Pb(4)-O(5) bond length is 2.16 Å. Both Pb(4)-O(10) bond lengths are 2.18 Å. In the fifth Pb site, Pb(5) is bonded in a distorted rectangular see-saw-like geometry to one Ti(3), one O(1), and two equivalent O(6) atoms. The Pb(5)-O(1) bond length is 2.14 Å. Both Pb(5)-O(6) bond lengths are 2.18 Å. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Zr(1) and one Pb(5) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one Zr(2) and one Pb(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Ti(1) and one Pb(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Ti(2) and one Pb(3) atom. In the fifth O site, O(5) is bonded in a distorted linear geometry to one Ti(3) and one Pb(4) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Ti(3) and one Pb(5) atom. In the seventh O site, O(7) is bonded in a distorted linear geometry to one Zr(1) and one Pb(1) atom. In the eighth O site, O(8) is bonded in a distorted linear geometry to one Zr(2) and one Pb(2) atom. In the ninth O site, O(9) is bonded in a distorted linear geometry to one Ti(1) and one Pb(3) atom. In the tenth O site, O(10) is bonded in a distorted bent 150 degrees geometry to one Ti(2) and one Pb(4) atom.