Li2CoAlO4 is Stannite-like structured and crystallizes in the orthorhombic Pna2_1 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 Li(2)O4 tetrahedra, corners with four equivalent Co(1)O4 tetrahedra, and corners with four equivalent Al(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 LiO4 tetrahedra that share corners with four equivalent Li(1)O4 tetrahedra, corners with four equivalent Co(1)O4 tetrahedra, and corners with four equivalent 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 Li(2)O4 tetrahedra, and corners with four equivalent Al(1)O4 tetrahedra. 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 Li(2)O4 tetrahedra, and corners with four equivalent Co(1)O4 tetrahedra. 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 corner-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 corner-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 corner-sharing OLi2AlCo tetrahedra. 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 Stannite-like structured and crystallizes in the orthorhombic Pna2_1 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 Li(2)O4 tetrahedra, corners with four equivalent Co(1)O4 tetrahedra, and corners with four equivalent Al(1)O4 tetrahedra. The Li(1)-O(1) bond length is 1.97 Å. The Li(1)-O(2) bond length is 2.02 Å. The Li(1)-O(3) bond length is 2.01 Å. The Li(1)-O(4) bond length is 1.98 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 LiO4 tetrahedra that share corners with four equivalent Li(1)O4 tetrahedra, corners with four equivalent Co(1)O4 tetrahedra, and corners with four equivalent Al(1)O4 tetrahedra. The Li(2)-O(1) bond length is 2.00 Å. The Li(2)-O(2) bond length is 1.99 Å. The Li(2)-O(3) bond length is 2.02 Å. The Li(2)-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 four equivalent Li(1)O4 tetrahedra, corners with four equivalent Li(2)O4 tetrahedra, and corners with four equivalent Al(1)O4 tetrahedra. The Co(1)-O(1) bond length is 1.89 Å. The Co(1)-O(2) bond length is 1.88 Å. The Co(1)-O(3) bond length is 1.88 Å. The Co(1)-O(4) bond length is 1.88 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 Li(2)O4 tetrahedra, and corners with four equivalent Co(1)O4 tetrahedra. The Al(1)-O(1) bond length is 1.78 Å. The Al(1)-O(2) bond length is 1.78 Å. The Al(1)-O(3) bond length is 1.78 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 corner-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 corner-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 corner-sharing OLi2AlCo tetrahedra. 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.