KLiCoO2 crystallizes in the monoclinic C2/m space group. K(1) is bonded in a 7-coordinate geometry to two equivalent O(2) and five equivalent O(1) atoms. Li(1) is bonded to one O(1) and three equivalent O(2) atoms to form distorted LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with four equivalent Co(1)O4 tetrahedra, edges with two equivalent Li(1)O4 tetrahedra, and edges with two equivalent Co(1)O4 tetrahedra. Co(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form distorted CoO4 tetrahedra that share corners with two equivalent Co(1)O4 tetrahedra, corners with four equivalent Li(1)O4 tetrahedra,  an edgeedge with one Co(1)O4 tetrahedra, and edges with two equivalent Li(1)O4 tetrahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to five equivalent K(1), one Li(1), and two equivalent Co(1) atoms. In the second O site, O(2) is bonded in a 7-coordinate geometry to two equivalent K(1), three equivalent Li(1), and two equivalent Co(1) atoms.
KLiCoO2 crystallizes in the monoclinic C2/m space group. K(1) is bonded in a 7-coordinate geometry to two equivalent O(2) and five equivalent O(1) atoms. Both K(1)-O(2) bond lengths are 2.85 Å. There are a spread of K(1)-O(1) bond distances ranging from 2.88-3.06 Å. Li(1) is bonded to one O(1) and three equivalent O(2) atoms to form distorted LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with four equivalent Co(1)O4 tetrahedra, edges with two equivalent Li(1)O4 tetrahedra, and edges with two equivalent Co(1)O4 tetrahedra. The Li(1)-O(1) bond length is 2.10 Å. There is one shorter (1.95 Å) and two longer (1.96 Å) Li(1)-O(2) bond lengths. Co(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form distorted CoO4 tetrahedra that share corners with two equivalent Co(1)O4 tetrahedra, corners with four equivalent Li(1)O4 tetrahedra,  an edgeedge with one Co(1)O4 tetrahedra, and edges with two equivalent Li(1)O4 tetrahedra. Both Co(1)-O(1) bond lengths are 1.99 Å. There is one shorter (2.03 Å) and one longer (2.11 Å) Co(1)-O(2) bond length. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to five equivalent K(1), one Li(1), and two equivalent Co(1) atoms. In the second O site, O(2) is bonded in a 7-coordinate geometry to two equivalent K(1), three equivalent Li(1), and two equivalent Co(1) atoms.