Li2Ti4Co(PO5)4 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(5), two equivalent O(7), and two equivalent O(9) atoms to form LiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 59°. In the second Li site, Li(2) is bonded to two equivalent O(10), two equivalent O(6), and two equivalent O(8) atoms to form distorted LiO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and faces with two equivalent Ti(1)O6 octahedra. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(10), one O(2), one O(4), one O(5), one O(6), and one O(8) atom to form distorted TiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and  a faceface with one Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-59°. In the second Ti site, Ti(2) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(5), one O(6), one O(7), and one O(9) atom. Co(1) is bonded to two equivalent O(1), two equivalent O(5), and two equivalent O(9) atoms to form distorted CoO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and edges with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles are 54°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(4), one O(8), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra, and corners with three equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-58°. In the second P site, P(2) is bonded to one O(1), one O(10), one O(3), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra, and  a cornercorner with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-54°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ti(2), one Co(1), and one P(2) atom. In the second O site, O(2) is bonded in a bent 150 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 Ti(2) and one P(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), one Ti(1), one Ti(2), and one Co(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(2), one Ti(1), and one Ti(2) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Li(1), one Ti(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(2), one Ti(1), and one P(1) atom. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Ti(2), one Co(1), and one P(1) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(2), one Ti(1), and one P(2) atom.
Li2Ti4Co(PO5)4 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(5), two equivalent O(7), and two equivalent O(9) atoms to form LiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 59°. Both Li(1)-O(5) bond lengths are 2.19 Å. Both Li(1)-O(7) bond lengths are 2.07 Å. Both Li(1)-O(9) bond lengths are 2.21 Å. In the second Li site, Li(2) is bonded to two equivalent O(10), two equivalent O(6), and two equivalent O(8) atoms to form distorted LiO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and faces with two equivalent Ti(1)O6 octahedra. Both Li(2)-O(10) bond lengths are 2.21 Å. Both Li(2)-O(6) bond lengths are 2.09 Å. Both Li(2)-O(8) bond lengths are 2.13 Å. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(10), one O(2), one O(4), one O(5), one O(6), and one O(8) atom to form distorted TiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and  a faceface with one Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-59°. The Ti(1)-O(10) bond length is 2.03 Å. The Ti(1)-O(2) bond length is 1.93 Å. The Ti(1)-O(4) bond length is 1.94 Å. The Ti(1)-O(5) bond length is 1.79 Å. The Ti(1)-O(6) bond length is 2.18 Å. The Ti(1)-O(8) bond length is 2.05 Å. In the second Ti site, Ti(2) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(5), one O(6), one O(7), and one O(9) atom. The Ti(2)-O(1) bond length is 2.06 Å. The Ti(2)-O(3) bond length is 1.91 Å. The Ti(2)-O(5) bond length is 2.37 Å. The Ti(2)-O(6) bond length is 1.71 Å. The Ti(2)-O(7) bond length is 1.99 Å. The Ti(2)-O(9) bond length is 2.07 Å. Co(1) is bonded to two equivalent O(1), two equivalent O(5), and two equivalent O(9) atoms to form distorted CoO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and edges with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles are 54°. Both Co(1)-O(1) bond lengths are 2.09 Å. Both Co(1)-O(5) bond lengths are 2.03 Å. Both Co(1)-O(9) bond lengths are 2.22 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(4), one O(8), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra, and corners with three equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-58°. The P(1)-O(2) bond length is 1.53 Å. The P(1)-O(4) bond length is 1.54 Å. The P(1)-O(8) bond length is 1.53 Å. The P(1)-O(9) bond length is 1.58 Å. In the second P site, P(2) is bonded to one O(1), one O(10), one O(3), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra, and  a cornercorner with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-54°. The P(2)-O(1) bond length is 1.56 Å. The P(2)-O(10) bond length is 1.54 Å. The P(2)-O(3) bond length is 1.55 Å. The P(2)-O(7) bond length is 1.55 Å. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ti(2), one Co(1), and one P(2) atom. In the second O site, O(2) is bonded in a bent 150 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 Ti(2) and one P(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), one Ti(1), one Ti(2), and one Co(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(2), one Ti(1), and one Ti(2) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Li(1), one Ti(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(2), one Ti(1), and one P(1) atom. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Ti(2), one Co(1), and one P(1) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(2), one Ti(1), and one P(2) atom.