Ba2Ti3Tl2O10 crystallizes in the triclinic P1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one O(9), two equivalent O(6), two equivalent O(8), and four equivalent O(7) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(10), one O(2), two equivalent O(1), and two equivalent O(3) atoms to form a mixture of distorted corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 14°. In the second Ti site, Ti(2) is bonded to one O(5), one O(7), two equivalent O(6), and two equivalent O(8) atoms to form a mixture of distorted corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 6-23°. In the third Ti site, Ti(3) is bonded to one O(1), one O(6), two equivalent O(10), and two equivalent O(5) atoms to form a mixture of distorted corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 13-23°. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a distorted T-shaped geometry to one O(4) and two equivalent O(9) atoms. In the second Tl site, Tl(2) is bonded in a see-saw-like geometry to one O(2), one O(9), and two equivalent O(4) atoms. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to two equivalent Ba(2), one Ti(3), and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded to four equivalent Ba(2), one Ti(1), and one Tl(2) atom to form a mixture of distorted corner and edge-sharing OBa4TiTl octahedra. The corner-sharing octahedral tilt angles are 10°. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ba(2) and two equivalent Ti(1) atoms. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to one Ba(2), one Tl(1), and two equivalent Tl(2) atoms. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Ti(2) and two equivalent Ti(3) atoms. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to two equivalent Ba(1), one Ti(3), and two equivalent Ti(2) atoms. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to four equivalent Ba(1) and one Ti(2) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ba(1) and two equivalent Ti(2) atoms. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one Tl(2), and two equivalent Tl(1) atoms. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one Ti(1) and two equivalent Ti(3) atoms.
Ba2Ti3Tl2O10 crystallizes in the triclinic P1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one O(9), two equivalent O(6), two equivalent O(8), and four equivalent O(7) atoms. The Ba(1)-O(9) bond length is 3.44 Å. There is one shorter (3.06 Å) and one longer (3.22 Å) Ba(1)-O(6) bond length. There is one shorter (2.80 Å) and one longer (2.82 Å) Ba(1)-O(8) bond length. There are a spread of Ba(1)-O(7) bond distances ranging from 2.72-2.95 Å. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. The Ba(2)-O(4) bond length is 2.62 Å. There is one shorter (2.87 Å) and one longer (3.01 Å) Ba(2)-O(1) bond length. There is one shorter (2.66 Å) and one longer (2.67 Å) Ba(2)-O(3) bond length. There are a spread of Ba(2)-O(2) bond distances ranging from 2.76-2.91 Å. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(10), one O(2), two equivalent O(1), and two equivalent O(3) atoms to form a mixture of distorted corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 14°. The Ti(1)-O(10) bond length is 1.89 Å. The Ti(1)-O(2) bond length is 2.24 Å. There is one shorter (2.01 Å) and one longer (2.02 Å) Ti(1)-O(1) bond length. There is one shorter (1.79 Å) and one longer (2.23 Å) Ti(1)-O(3) bond length. In the second Ti site, Ti(2) is bonded to one O(5), one O(7), two equivalent O(6), and two equivalent O(8) atoms to form a mixture of distorted corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 6-23°. The Ti(2)-O(5) bond length is 2.10 Å. The Ti(2)-O(7) bond length is 1.87 Å. There is one shorter (2.03 Å) and one longer (2.05 Å) Ti(2)-O(6) bond length. There is one shorter (1.78 Å) and one longer (2.22 Å) Ti(2)-O(8) bond length. In the third Ti site, Ti(3) is bonded to one O(1), one O(6), two equivalent O(10), and two equivalent O(5) atoms to form a mixture of distorted corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 13-23°. The Ti(3)-O(1) bond length is 2.09 Å. The Ti(3)-O(6) bond length is 1.96 Å. There is one shorter (2.00 Å) and one longer (2.08 Å) Ti(3)-O(10) bond length. There is one shorter (1.79 Å) and one longer (2.23 Å) Ti(3)-O(5) bond length. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a distorted T-shaped geometry to one O(4) and two equivalent O(9) atoms. The Tl(1)-O(4) bond length is 2.49 Å. There is one shorter (2.49 Å) and one longer (2.50 Å) Tl(1)-O(9) bond length. In the second Tl site, Tl(2) is bonded in a see-saw-like geometry to one O(2), one O(9), and two equivalent O(4) atoms. The Tl(2)-O(2) bond length is 2.29 Å. The Tl(2)-O(9) bond length is 2.10 Å. Both Tl(2)-O(4) bond lengths are 2.30 Å. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to two equivalent Ba(2), one Ti(3), and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded to four equivalent Ba(2), one Ti(1), and one Tl(2) atom to form a mixture of distorted corner and edge-sharing OBa4TiTl octahedra. The corner-sharing octahedral tilt angles are 10°. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ba(2) and two equivalent Ti(1) atoms. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to one Ba(2), one Tl(1), and two equivalent Tl(2) atoms. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Ti(2) and two equivalent Ti(3) atoms. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to two equivalent Ba(1), one Ti(3), and two equivalent Ti(2) atoms. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to four equivalent Ba(1) and one Ti(2) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ba(1) and two equivalent Ti(2) atoms. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one Tl(2), and two equivalent Tl(1) atoms. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one Ti(1) and two equivalent Ti(3) atoms.