LiTiP2O7 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a distorted see-saw-like geometry to one O(1), one O(2), one O(5), and one O(6) atom. Ti(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(4), one O(6), and one O(7) atom to form corner-sharing PO4 tetrahedra. In the second P site, P(2) is bonded to one O(1), one O(2), one O(5), and one O(7) atom to form corner-sharing PO4 tetrahedra. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Li(1), one Ti(1), and one P(2) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Li(1), one Ti(1), and one P(2) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Ti(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Ti(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Ti(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one Ti(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom.
LiTiP2O7 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a distorted see-saw-like geometry to one O(1), one O(2), one O(5), and one O(6) atom. The Li(1)-O(1) bond length is 1.88 Å. The Li(1)-O(2) bond length is 1.89 Å. The Li(1)-O(5) bond length is 2.34 Å. The Li(1)-O(6) bond length is 2.40 Å. Ti(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. The Ti(1)-O(1) bond length is 2.48 Å. The Ti(1)-O(2) bond length is 2.10 Å. The Ti(1)-O(3) bond length is 2.08 Å. The Ti(1)-O(4) bond length is 1.97 Å. The Ti(1)-O(5) bond length is 2.00 Å. The Ti(1)-O(6) bond length is 2.02 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(4), one O(6), and one O(7) atom to form corner-sharing PO4 tetrahedra. The P(1)-O(3) bond length is 1.51 Å. The P(1)-O(4) bond length is 1.54 Å. The P(1)-O(6) bond length is 1.55 Å. The P(1)-O(7) bond length is 1.62 Å. In the second P site, P(2) is bonded to one O(1), one O(2), one O(5), and one O(7) atom to form corner-sharing PO4 tetrahedra. The P(2)-O(1) bond length is 1.52 Å. The P(2)-O(2) bond length is 1.54 Å. The P(2)-O(5) bond length is 1.54 Å. The P(2)-O(7) bond length is 1.61 Å. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Li(1), one Ti(1), and one P(2) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Li(1), one Ti(1), and one P(2) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Ti(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Ti(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Ti(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one Ti(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom.