K2Li2TiO4 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), and three equivalent O(4) atoms. In the second K site, K(2) is bonded in a 6-coordinate geometry to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form distorted LiO4 tetrahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Ti(1)O4 tetrahedra,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Li(2)O4 tetrahedra, and  an edgeedge with one Ti(1)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form distorted LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Ti(1)O4 tetrahedra,  an edgeedge with one Li(1)O4 tetrahedra, and  an edgeedge with one Ti(1)O4 tetrahedra. Ti(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form TiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra,  an edgeedge with one Li(1)O4 tetrahedra, and  an edgeedge with one Li(2)O4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one K(1), two equivalent K(2), one Li(1), one Li(2), and one Ti(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one K(1), two equivalent K(2), one Li(1), one Li(2), and one Ti(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one K(1), one K(2), one Li(2), two equivalent Li(1), and one Ti(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one K(2), three equivalent K(1), one Li(2), and one Ti(1) atom.
K2Li2TiO4 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), and three equivalent O(4) atoms. The K(1)-O(1) bond length is 2.86 Å. The K(1)-O(2) bond length is 2.78 Å. The K(1)-O(3) bond length is 2.71 Å. There are a spread of K(1)-O(4) bond distances ranging from 2.95-3.12 Å. In the second K site, K(2) is bonded in a 6-coordinate geometry to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms. The K(2)-O(3) bond length is 2.68 Å. The K(2)-O(4) bond length is 2.72 Å. There is one shorter (2.77 Å) and one longer (3.16 Å) K(2)-O(1) bond length. There is one shorter (2.98 Å) and one longer (3.02 Å) K(2)-O(2) bond length. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form distorted LiO4 tetrahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Ti(1)O4 tetrahedra,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Li(2)O4 tetrahedra, and  an edgeedge with one Ti(1)O4 tetrahedra. The Li(1)-O(1) bond length is 1.93 Å. The Li(1)-O(2) bond length is 2.05 Å. There is one shorter (1.98 Å) and one longer (2.09 Å) Li(1)-O(3) bond length. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form distorted LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Ti(1)O4 tetrahedra,  an edgeedge with one Li(1)O4 tetrahedra, and  an edgeedge with one Ti(1)O4 tetrahedra. The Li(2)-O(1) bond length is 2.11 Å. The Li(2)-O(2) bond length is 1.96 Å. The Li(2)-O(3) bond length is 2.17 Å. The Li(2)-O(4) bond length is 1.99 Å. Ti(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form TiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra,  an edgeedge with one Li(1)O4 tetrahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The Ti(1)-O(1) bond length is 1.84 Å. The Ti(1)-O(2) bond length is 1.83 Å. The Ti(1)-O(3) bond length is 1.86 Å. The Ti(1)-O(4) bond length is 1.84 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one K(1), two equivalent K(2), one Li(1), one Li(2), and one Ti(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one K(1), two equivalent K(2), one Li(1), one Li(2), and one Ti(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one K(1), one K(2), one Li(2), two equivalent Li(1), and one Ti(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one K(2), three equivalent K(1), one Li(2), and one Ti(1) atom.