Zr3Ti(PbO3)4 crystallizes in the triclinic P1 space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 2-coordinate geometry to one O(10), one O(12), one O(2), one O(4), one O(6), and one O(7) atom. In the second Zr site, Zr(2) is bonded in a 2-coordinate geometry to one O(1), one O(11), one O(3), one O(5), one O(8), and one O(9) atom. In the third Zr site, Zr(3) is bonded in a 2-coordinate geometry to one O(10), one O(12), one O(2), one O(3), one O(5), and one O(8) atom. Ti(1) is bonded in a 2-coordinate geometry to one O(1), one O(11), one O(4), one O(6), one O(7), and one O(9) atom. There are four inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 1-coordinate geometry to one O(1), one O(11), one O(5), and one O(6) atom. In the second Pb site, Pb(2) is bonded in a 3-coordinate geometry to one O(10), one O(2), and one O(6) atom. In the third Pb site, Pb(3) is bonded in a 4-coordinate geometry to one O(11), one O(12), one O(3), one O(5), and one O(8) atom. In the fourth Pb site, Pb(4) is bonded in a 3-coordinate geometry to one O(11), one O(4), one O(6), and one O(7) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Zr(2), one Ti(1), and one Pb(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Zr(1), one Zr(3), and one Pb(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Zr(2), one Zr(3), and one Pb(3) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Zr(1), one Ti(1), and one Pb(4) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Zr(2), one Zr(3), one Pb(1), and one Pb(3) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Zr(1), one Ti(1), one Pb(1), one Pb(2), and one Pb(4) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Zr(1), one Ti(1), and one Pb(4) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Zr(2), one Zr(3), and one Pb(3) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Zr(2) and one Ti(1) atom. In the tenth O site, O(10) is bonded in a distorted bent 150 degrees geometry to one Zr(1), one Zr(3), and one Pb(2) atom. In the eleventh O site, O(11) is bonded in a 5-coordinate geometry to one Zr(2), one Ti(1), one Pb(1), one Pb(3), and one Pb(4) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Zr(1), one Zr(3), and one Pb(3) atom.
Zr3Ti(PbO3)4 crystallizes in the triclinic P1 space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 2-coordinate geometry to one O(10), one O(12), one O(2), one O(4), one O(6), and one O(7) atom. The Zr(1)-O(10) bond length is 1.70 Å. The Zr(1)-O(12) bond length is 2.63 Å. The Zr(1)-O(2) bond length is 2.25 Å. The Zr(1)-O(4) bond length is 1.68 Å. The Zr(1)-O(6) bond length is 2.82 Å. The Zr(1)-O(7) bond length is 2.28 Å. In the second Zr site, Zr(2) is bonded in a 2-coordinate geometry to one O(1), one O(11), one O(3), one O(5), one O(8), and one O(9) atom. The Zr(2)-O(1) bond length is 2.34 Å. The Zr(2)-O(11) bond length is 2.64 Å. The Zr(2)-O(3) bond length is 1.67 Å. The Zr(2)-O(5) bond length is 2.69 Å. The Zr(2)-O(8) bond length is 2.28 Å. The Zr(2)-O(9) bond length is 1.75 Å. In the third Zr site, Zr(3) is bonded in a 2-coordinate geometry to one O(10), one O(12), one O(2), one O(3), one O(5), and one O(8) atom. The Zr(3)-O(10) bond length is 1.70 Å. The Zr(3)-O(12) bond length is 2.75 Å. The Zr(3)-O(2) bond length is 2.22 Å. The Zr(3)-O(3) bond length is 1.69 Å. The Zr(3)-O(5) bond length is 2.72 Å. The Zr(3)-O(8) bond length is 2.22 Å. Ti(1) is bonded in a 2-coordinate geometry to one O(1), one O(11), one O(4), one O(6), one O(7), and one O(9) atom. The Ti(1)-O(1) bond length is 2.05 Å. The Ti(1)-O(11) bond length is 2.68 Å. The Ti(1)-O(4) bond length is 1.64 Å. The Ti(1)-O(6) bond length is 2.50 Å. The Ti(1)-O(7) bond length is 2.16 Å. The Ti(1)-O(9) bond length is 1.57 Å. There are four inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 1-coordinate geometry to one O(1), one O(11), one O(5), and one O(6) atom. The Pb(1)-O(1) bond length is 2.68 Å. The Pb(1)-O(11) bond length is 2.85 Å. The Pb(1)-O(5) bond length is 2.24 Å. The Pb(1)-O(6) bond length is 2.82 Å. In the second Pb site, Pb(2) is bonded in a 3-coordinate geometry to one O(10), one O(2), and one O(6) atom. The Pb(2)-O(10) bond length is 2.50 Å. The Pb(2)-O(2) bond length is 2.71 Å. The Pb(2)-O(6) bond length is 2.22 Å. In the third Pb site, Pb(3) is bonded in a 4-coordinate geometry to one O(11), one O(12), one O(3), one O(5), and one O(8) atom. The Pb(3)-O(11) bond length is 2.83 Å. The Pb(3)-O(12) bond length is 2.35 Å. The Pb(3)-O(3) bond length is 2.57 Å. The Pb(3)-O(5) bond length is 2.70 Å. The Pb(3)-O(8) bond length is 2.48 Å. In the fourth Pb site, Pb(4) is bonded in a 3-coordinate geometry to one O(11), one O(4), one O(6), and one O(7) atom. The Pb(4)-O(11) bond length is 2.26 Å. The Pb(4)-O(4) bond length is 2.55 Å. The Pb(4)-O(6) bond length is 2.78 Å. The Pb(4)-O(7) bond length is 2.46 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Zr(2), one Ti(1), and one Pb(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Zr(1), one Zr(3), and one Pb(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Zr(2), one Zr(3), and one Pb(3) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Zr(1), one Ti(1), and one Pb(4) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Zr(2), one Zr(3), one Pb(1), and one Pb(3) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Zr(1), one Ti(1), one Pb(1), one Pb(2), and one Pb(4) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Zr(1), one Ti(1), and one Pb(4) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Zr(2), one Zr(3), and one Pb(3) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Zr(2) and one Ti(1) atom. In the tenth O site, O(10) is bonded in a distorted bent 150 degrees geometry to one Zr(1), one Zr(3), and one Pb(2) atom. In the eleventh O site, O(11) is bonded in a 5-coordinate geometry to one Zr(2), one Ti(1), one Pb(1), one Pb(3), and one Pb(4) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Zr(1), one Zr(3), and one Pb(3) atom.