HfTi4(PbO3)5 crystallizes in the monoclinic Cm space group. Hf(1) is bonded in a 6-coordinate geometry to one O(10), one O(9), two equivalent O(1), and two equivalent O(5) atoms. There are four inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 5-coordinate geometry to one O(9), two equivalent O(4), and two equivalent O(5) atoms. In the second Ti site, Ti(2) is bonded in a 5-coordinate geometry to one O(8), two equivalent O(3), and two equivalent O(4) atoms. In the third Ti site, Ti(3) is bonded in a 5-coordinate geometry to one O(7), two equivalent O(2), and two equivalent O(3) atoms. In the fourth Ti site, Ti(4) is bonded in a 6-coordinate geometry to one O(10), one O(6), two equivalent O(1), and two equivalent O(2) atoms. There are five inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(5) atoms. In the second Pb site, Pb(2) is bonded in a 5-coordinate geometry to one O(7), two equivalent O(4), and two equivalent O(5) atoms. In the third Pb site, Pb(3) is bonded in a 4-coordinate geometry to two equivalent O(3) and two equivalent O(4) atoms. In the fourth Pb site, Pb(4) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(3) atoms. In the fifth Pb site, Pb(5) is bonded in a 7-coordinate geometry to one O(6), two equivalent O(1), two equivalent O(10), and two equivalent O(2) atoms. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Hf(1), one Ti(4), one Pb(1), and one Pb(5) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ti(3), one Ti(4), one Pb(4), and one Pb(5) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Ti(2), one Ti(3), one Pb(3), and one Pb(4) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Ti(1), one Ti(2), one Pb(2), and one Pb(3) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Hf(1), one Ti(1), one Pb(1), and one Pb(2) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one Ti(4) and one Pb(5) atom. In the seventh O site, O(7) is bonded in a single-bond geometry to one Ti(3) and one Pb(2) atom. In the eighth O site, O(8) is bonded in a single-bond geometry to one Ti(2) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Hf(1) and one Ti(1) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one Hf(1), one Ti(4), and two equivalent Pb(5) atoms.
HfTi4(PbO3)5 crystallizes in the monoclinic Cm space group. Hf(1) is bonded in a 6-coordinate geometry to one O(10), one O(9), two equivalent O(1), and two equivalent O(5) atoms. The Hf(1)-O(10) bond length is 1.93 Å. The Hf(1)-O(9) bond length is 2.64 Å. Both Hf(1)-O(1) bond lengths are 2.08 Å. Both Hf(1)-O(5) bond lengths are 2.08 Å. There are four inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 5-coordinate geometry to one O(9), two equivalent O(4), and two equivalent O(5) atoms. The Ti(1)-O(9) bond length is 1.78 Å. Both Ti(1)-O(4) bond lengths are 2.00 Å. Both Ti(1)-O(5) bond lengths are 1.98 Å. In the second Ti site, Ti(2) is bonded in a 5-coordinate geometry to one O(8), two equivalent O(3), and two equivalent O(4) atoms. The Ti(2)-O(8) bond length is 1.74 Å. Both Ti(2)-O(3) bond lengths are 2.00 Å. Both Ti(2)-O(4) bond lengths are 2.01 Å. In the third Ti site, Ti(3) is bonded in a 5-coordinate geometry to one O(7), two equivalent O(2), and two equivalent O(3) atoms. The Ti(3)-O(7) bond length is 1.76 Å. Both Ti(3)-O(2) bond lengths are 1.99 Å. Both Ti(3)-O(3) bond lengths are 2.00 Å. In the fourth Ti site, Ti(4) is bonded in a 6-coordinate geometry to one O(10), one O(6), two equivalent O(1), and two equivalent O(2) atoms. The Ti(4)-O(10) bond length is 2.53 Å. The Ti(4)-O(6) bond length is 1.77 Å. Both Ti(4)-O(1) bond lengths are 1.97 Å. Both Ti(4)-O(2) bond lengths are 2.02 Å. There are five inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(5) atoms. Both Pb(1)-O(1) bond lengths are 2.52 Å. Both Pb(1)-O(5) bond lengths are 2.55 Å. In the second Pb site, Pb(2) is bonded in a 5-coordinate geometry to one O(7), two equivalent O(4), and two equivalent O(5) atoms. The Pb(2)-O(7) bond length is 2.71 Å. Both Pb(2)-O(4) bond lengths are 2.49 Å. Both Pb(2)-O(5) bond lengths are 2.57 Å. In the third Pb site, Pb(3) is bonded in a 4-coordinate geometry to two equivalent O(3) and two equivalent O(4) atoms. Both Pb(3)-O(3) bond lengths are 2.48 Å. Both Pb(3)-O(4) bond lengths are 2.54 Å. In the fourth Pb site, Pb(4) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(3) atoms. Both Pb(4)-O(2) bond lengths are 2.50 Å. Both Pb(4)-O(3) bond lengths are 2.53 Å. In the fifth Pb site, Pb(5) is bonded in a 7-coordinate geometry to one O(6), two equivalent O(1), two equivalent O(10), and two equivalent O(2) atoms. The Pb(5)-O(6) bond length is 2.78 Å. Both Pb(5)-O(1) bond lengths are 2.58 Å. Both Pb(5)-O(10) bond lengths are 2.84 Å. Both Pb(5)-O(2) bond lengths are 2.48 Å. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Hf(1), one Ti(4), one Pb(1), and one Pb(5) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ti(3), one Ti(4), one Pb(4), and one Pb(5) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Ti(2), one Ti(3), one Pb(3), and one Pb(4) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Ti(1), one Ti(2), one Pb(2), and one Pb(3) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Hf(1), one Ti(1), one Pb(1), and one Pb(2) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one Ti(4) and one Pb(5) atom. In the seventh O site, O(7) is bonded in a single-bond geometry to one Ti(3) and one Pb(2) atom. In the eighth O site, O(8) is bonded in a single-bond geometry to one Ti(2) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Hf(1) and one Ti(1) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one Hf(1), one Ti(4), and two equivalent Pb(5) atoms.