Li2CoAlO4 is beta beryllia-derived structured and crystallizes in the monoclinic P2_1/c space group. There are two 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 LiO4 tetrahedra that share corners with four equivalent Co(1)O4 tetrahedra, corners with four equivalent Al(1)O4 tetrahedra, corners with two equivalent Li(2)O4 trigonal pyramids, and  an edgeedge with one Li(2)O4 trigonal pyramid. 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 trigonal pyramids that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Al(1)O4 tetrahedra, corners with four equivalent Co(1)O4 tetrahedra,  an edgeedge with one Li(1)O4 tetrahedra, and  an edgeedge with one Al(1)O4 tetrahedra. 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 four equivalent Li(1)O4 tetrahedra, corners with four equivalent Al(1)O4 tetrahedra, and corners with four equivalent Li(2)O4 trigonal pyramids. Al(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form AlO4 tetrahedra that share corners with four equivalent Li(1)O4 tetrahedra, corners with four equivalent Co(1)O4 tetrahedra, corners with two equivalent Li(2)O4 trigonal pyramids, and  an edgeedge with one Li(2)O4 trigonal pyramid. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Co(1), and one Al(1) atom to form a mixture of corner and edge-sharing OLi2AlCo tetrahedra. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Co(1), and one Al(1) atom to form a mixture of corner and edge-sharing OLi2AlCo tetrahedra. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Co(1), and one Al(1) atom to form a mixture of distorted corner and edge-sharing OLi2AlCo trigonal pyramids. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Co(1), and one Al(1) atom to form corner-sharing OLi2AlCo tetrahedra.
Li2CoAlO4 is beta beryllia-derived structured and crystallizes in the monoclinic P2_1/c space group. There are two 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 LiO4 tetrahedra that share corners with four equivalent Co(1)O4 tetrahedra, corners with four equivalent Al(1)O4 tetrahedra, corners with two equivalent Li(2)O4 trigonal pyramids, and  an edgeedge with one Li(2)O4 trigonal pyramid. The Li(1)-O(1) bond length is 1.96 Å. The Li(1)-O(2) bond length is 2.05 Å. The Li(1)-O(3) bond length is 1.98 Å. The Li(1)-O(4) bond length is 1.99 Å. 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 trigonal pyramids that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Al(1)O4 tetrahedra, corners with four equivalent Co(1)O4 tetrahedra,  an edgeedge with one Li(1)O4 tetrahedra, and  an edgeedge with one Al(1)O4 tetrahedra. The Li(2)-O(1) bond length is 1.99 Å. The Li(2)-O(2) bond length is 1.98 Å. The Li(2)-O(3) bond length is 2.22 Å. The Li(2)-O(4) bond length is 1.96 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 four equivalent Li(1)O4 tetrahedra, corners with four equivalent Al(1)O4 tetrahedra, and corners with four equivalent Li(2)O4 trigonal pyramids. The Co(1)-O(1) bond length is 1.87 Å. The Co(1)-O(2) bond length is 1.87 Å. The Co(1)-O(3) bond length is 1.85 Å. The Co(1)-O(4) bond length is 1.89 Å. Al(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form AlO4 tetrahedra that share corners with four equivalent Li(1)O4 tetrahedra, corners with four equivalent Co(1)O4 tetrahedra, corners with two equivalent Li(2)O4 trigonal pyramids, and  an edgeedge with one Li(2)O4 trigonal pyramid. The Al(1)-O(1) bond length is 1.79 Å. The Al(1)-O(2) bond length is 1.78 Å. The Al(1)-O(3) bond length is 1.79 Å. The Al(1)-O(4) bond length is 1.78 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Co(1), and one Al(1) atom to form a mixture of corner and edge-sharing OLi2AlCo tetrahedra. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Co(1), and one Al(1) atom to form a mixture of corner and edge-sharing OLi2AlCo tetrahedra. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Co(1), and one Al(1) atom to form a mixture of distorted corner and edge-sharing OLi2AlCo trigonal pyramids. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Co(1), and one Al(1) atom to form corner-sharing OLi2AlCo tetrahedra.