K2Li3CoO4 is alpha Pu-derived structured and 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 7-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form distorted LiO4 trigonal pyramids that share corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Co(1)O4 tetrahedra,  an edgeedge with one Li(2)O4 tetrahedra, and  an edgeedge with one Co(1)O4 tetrahedra. In the second Li site, Li(2) 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 Co(1)O4 tetrahedra, corners with two equivalent Li(1)O4 trigonal pyramids,  an edgeedge with one Li(2)O4 tetrahedra,  an edgeedge with one Co(1)O4 tetrahedra, and  an edgeedge with one Li(1)O4 trigonal pyramid. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), and one O(4) atom. Co(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form CoO4 tetrahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(1)O4 trigonal pyramids,  an edgeedge with one Li(2)O4 tetrahedra, and  an edgeedge with one Li(1)O4 trigonal pyramid. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one K(1), two equivalent K(2), one Li(1), one Li(2), one Li(3), and one Co(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one K(1), two equivalent K(2), one Li(1), one Li(2), one Li(3), and one Co(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one K(1), one K(2), one Li(1), one Li(3), two equivalent Li(2), and one Co(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent K(2), three equivalent K(1), one Li(1), one Li(3), and one Co(1) atom.
K2Li3CoO4 is alpha Pu-derived structured and 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 2.81 Å. The K(1)-O(2) bond length is 2.84 Å. The K(1)-O(3) bond length is 2.75 Å. There are a spread of K(1)-O(4) bond distances ranging from 2.84-2.96 Å. In the second K site, K(2) is bonded in a 7-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. The K(2)-O(3) bond length is 2.86 Å. There is one shorter (2.83 Å) and one longer (2.93 Å) K(2)-O(1) bond length. There is one shorter (2.72 Å) and one longer (2.98 Å) K(2)-O(2) bond length. There is one shorter (3.00 Å) and one longer (3.12 Å) K(2)-O(4) bond length. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form distorted LiO4 trigonal pyramids that share corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Co(1)O4 tetrahedra,  an edgeedge with one Li(2)O4 tetrahedra, and  an edgeedge with one Co(1)O4 tetrahedra. The Li(1)-O(1) bond length is 1.97 Å. The Li(1)-O(2) bond length is 2.03 Å. The Li(1)-O(3) bond length is 2.05 Å. The Li(1)-O(4) bond length is 2.03 Å. In the second Li site, Li(2) 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 Co(1)O4 tetrahedra, corners with two equivalent Li(1)O4 trigonal pyramids,  an edgeedge with one Li(2)O4 tetrahedra,  an edgeedge with one Co(1)O4 tetrahedra, and  an edgeedge with one Li(1)O4 trigonal pyramid. The Li(2)-O(1) bond length is 2.04 Å. The Li(2)-O(2) bond length is 1.94 Å. There is one shorter (2.00 Å) and one longer (2.02 Å) Li(2)-O(3) bond length. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), and one O(4) atom. The Li(3)-O(1) bond length is 1.98 Å. The Li(3)-O(2) bond length is 2.22 Å. The Li(3)-O(3) bond length is 1.97 Å. The Li(3)-O(4) bond length is 2.02 Å. Co(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form CoO4 tetrahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(1)O4 trigonal pyramids,  an edgeedge with one Li(2)O4 tetrahedra, and  an edgeedge with one Li(1)O4 trigonal pyramid. The Co(1)-O(1) bond length is 1.90 Å. The Co(1)-O(2) bond length is 1.84 Å. The Co(1)-O(3) bond length is 1.94 Å. The Co(1)-O(4) bond length is 1.88 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one K(1), two equivalent K(2), one Li(1), one Li(2), one Li(3), and one Co(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one K(1), two equivalent K(2), one Li(1), one Li(2), one Li(3), and one Co(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one K(1), one K(2), one Li(1), one Li(3), two equivalent Li(2), and one Co(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent K(2), three equivalent K(1), one Li(1), one Li(3), and one Co(1) atom.