LiTi(PO3)4 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(6) atoms. Ti(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form TiO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra and corners with four equivalent P(1)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent Ti(1)O6 octahedra and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 36-48°. In the second P site, P(2) is bonded to one O(1), one O(3), one O(4), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 45°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-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 bent 120 degrees geometry to one Ti(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(1) atom. In the sixth O site, O(6) is bonded in an L-shaped geometry to one Li(1) and one P(2) atom.
LiTi(PO3)4 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(6) atoms. Both Li(1)-O(1) bond lengths are 2.22 Å. Both Li(1)-O(6) bond lengths are 1.96 Å. Ti(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form TiO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra and corners with four equivalent P(1)O4 tetrahedra. Both Ti(1)-O(1) bond lengths are 2.07 Å. Both Ti(1)-O(2) bond lengths are 2.08 Å. Both Ti(1)-O(5) bond lengths are 2.04 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent Ti(1)O6 octahedra and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 36-48°. The P(1)-O(2) bond length is 1.51 Å. The P(1)-O(3) bond length is 1.59 Å. The P(1)-O(4) bond length is 1.61 Å. The P(1)-O(5) bond length is 1.50 Å. In the second P site, P(2) is bonded to one O(1), one O(3), one O(4), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 45°. The P(2)-O(1) bond length is 1.53 Å. The P(2)-O(3) bond length is 1.60 Å. The P(2)-O(4) bond length is 1.62 Å. The P(2)-O(6) bond length is 1.49 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-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 bent 120 degrees geometry to one Ti(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(1) atom. In the sixth O site, O(6) is bonded in an L-shaped geometry to one Li(1) and one P(2) atom.