Ti2Sb2O7 crystallizes in the monoclinic P2_1 space group. There are four inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in an octahedral geometry to one O(1), one O(10), one O(2), one O(3), one O(5), and one O(7) atom. In the second Ti site, Ti(2) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(4), one O(7), and two equivalent O(6) atoms. In the third Ti site, Ti(3) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(14), one O(3), one O(8), and one O(9) atom. In the fourth Ti site, Ti(4) is bonded in a 6-coordinate geometry to one O(11), one O(14), one O(4), one O(9), and two equivalent O(13) atoms. There are four inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 4-coordinate geometry to one O(11), one O(13), one O(4), and one O(6) atom. In the second Sb site, Sb(2) is bonded in a 6-coordinate geometry to one O(12), one O(8), two equivalent O(2), and two equivalent O(5) atoms. In the third Sb site, Sb(3) is bonded in a 5-coordinate geometry to one O(10), one O(13), one O(14), one O(7), and one O(9) atom. In the fourth Sb site, Sb(4) is bonded in a 4-coordinate geometry to one O(10), one O(12), one O(2), and one O(8) atom. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Ti(1) and one Ti(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ti(1), one Sb(4), and two equivalent Sb(2) atoms. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Ti(1) and one Ti(3) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ti(2), one Ti(4), and one Sb(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Ti(1) and two equivalent Sb(2) atoms. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to two equivalent Ti(2) and one Sb(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Ti(1), one Ti(2), and one Sb(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Ti(3), one Sb(2), and one Sb(4) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Ti(3), one Ti(4), and one Sb(3) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Ti(1), one Ti(3), one Sb(3), and one Sb(4) atom. In the eleventh O site, O(11) is bonded in a distorted T-shaped geometry to one Ti(2), one Ti(4), and one Sb(1) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Ti(3), one Sb(2), and one Sb(4) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to two equivalent Ti(4), one Sb(1), and one Sb(3) atom. In the fourteenth O site, O(14) is bonded in a T-shaped geometry to one Ti(3), one Ti(4), and one Sb(3) atom.
Ti2Sb2O7 crystallizes in the monoclinic P2_1 space group. There are four inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in an octahedral geometry to one O(1), one O(10), one O(2), one O(3), one O(5), and one O(7) atom. The Ti(1)-O(1) bond length is 2.10 Å. The Ti(1)-O(10) bond length is 2.16 Å. The Ti(1)-O(2) bond length is 2.09 Å. The Ti(1)-O(3) bond length is 1.87 Å. The Ti(1)-O(5) bond length is 1.91 Å. The Ti(1)-O(7) bond length is 1.87 Å. In the second Ti site, Ti(2) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(4), one O(7), and two equivalent O(6) atoms. The Ti(2)-O(1) bond length is 1.77 Å. The Ti(2)-O(11) bond length is 2.04 Å. The Ti(2)-O(4) bond length is 2.04 Å. The Ti(2)-O(7) bond length is 1.95 Å. There is one shorter (1.99 Å) and one longer (2.44 Å) Ti(2)-O(6) bond length. In the third Ti site, Ti(3) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(14), one O(3), one O(8), and one O(9) atom. The Ti(3)-O(10) bond length is 2.10 Å. The Ti(3)-O(12) bond length is 1.86 Å. The Ti(3)-O(14) bond length is 2.09 Å. The Ti(3)-O(3) bond length is 1.86 Å. The Ti(3)-O(8) bond length is 1.87 Å. The Ti(3)-O(9) bond length is 2.46 Å. In the fourth Ti site, Ti(4) is bonded in a 6-coordinate geometry to one O(11), one O(14), one O(4), one O(9), and two equivalent O(13) atoms. The Ti(4)-O(11) bond length is 2.01 Å. The Ti(4)-O(14) bond length is 2.04 Å. The Ti(4)-O(4) bond length is 1.96 Å. The Ti(4)-O(9) bond length is 1.80 Å. There is one shorter (1.97 Å) and one longer (2.39 Å) Ti(4)-O(13) bond length. There are four inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 4-coordinate geometry to one O(11), one O(13), one O(4), and one O(6) atom. The Sb(1)-O(11) bond length is 2.11 Å. The Sb(1)-O(13) bond length is 2.50 Å. The Sb(1)-O(4) bond length is 2.11 Å. The Sb(1)-O(6) bond length is 2.06 Å. In the second Sb site, Sb(2) is bonded in a 6-coordinate geometry to one O(12), one O(8), two equivalent O(2), and two equivalent O(5) atoms. The Sb(2)-O(12) bond length is 2.74 Å. The Sb(2)-O(8) bond length is 2.19 Å. There is one shorter (2.14 Å) and one longer (2.56 Å) Sb(2)-O(2) bond length. There is one shorter (2.01 Å) and one longer (2.67 Å) Sb(2)-O(5) bond length. In the third Sb site, Sb(3) is bonded in a 5-coordinate geometry to one O(10), one O(13), one O(14), one O(7), and one O(9) atom. The Sb(3)-O(10) bond length is 2.55 Å. The Sb(3)-O(13) bond length is 2.12 Å. The Sb(3)-O(14) bond length is 2.06 Å. The Sb(3)-O(7) bond length is 2.65 Å. The Sb(3)-O(9) bond length is 2.16 Å. In the fourth Sb site, Sb(4) is bonded in a 4-coordinate geometry to one O(10), one O(12), one O(2), and one O(8) atom. The Sb(4)-O(10) bond length is 2.08 Å. The Sb(4)-O(12) bond length is 2.05 Å. The Sb(4)-O(2) bond length is 2.24 Å. The Sb(4)-O(8) bond length is 2.26 Å. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Ti(1) and one Ti(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ti(1), one Sb(4), and two equivalent Sb(2) atoms. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Ti(1) and one Ti(3) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ti(2), one Ti(4), and one Sb(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Ti(1) and two equivalent Sb(2) atoms. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to two equivalent Ti(2) and one Sb(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Ti(1), one Ti(2), and one Sb(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Ti(3), one Sb(2), and one Sb(4) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Ti(3), one Ti(4), and one Sb(3) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Ti(1), one Ti(3), one Sb(3), and one Sb(4) atom. In the eleventh O site, O(11) is bonded in a distorted T-shaped geometry to one Ti(2), one Ti(4), and one Sb(1) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Ti(3), one Sb(2), and one Sb(4) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to two equivalent Ti(4), one Sb(1), and one Sb(3) atom. In the fourteenth O site, O(14) is bonded in a T-shaped geometry to one Ti(3), one Ti(4), and one Sb(3) atom.