Li2CoBO4 is beta beryllia-derived structured and crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms 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 B(1)O4 tetrahedra. Co(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form distorted CoO4 tetrahedra that share corners with two equivalent B(1)O4 tetrahedra, corners with eight equivalent Li(1)O4 tetrahedra, and  an edgeedge with one B(1)O4 tetrahedra. B(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form BO4 tetrahedra that share corners with two equivalent Co(1)O4 tetrahedra, corners with eight equivalent Li(1)O4 tetrahedra, and  an edgeedge with one Co(1)O4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one Co(1), and one B(1) atom to form distorted corner-sharing OLi2CoB tetrahedra. In the second O site, O(2) is bonded to two equivalent Li(1), one Co(1), and one B(1) atom to form a mixture of distorted corner and edge-sharing OLi2CoB tetrahedra. In the third O site, O(3) is bonded to two equivalent Li(1), one Co(1), and one B(1) atom to form a mixture of distorted corner and edge-sharing OLi2CoB trigonal pyramids.
Li2CoBO4 is beta beryllia-derived structured and crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms 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 B(1)O4 tetrahedra. The Li(1)-O(2) bond length is 1.89 Å. The Li(1)-O(3) bond length is 1.92 Å. There is one shorter (2.00 Å) and one longer (2.02 Å) Li(1)-O(1) bond length. Co(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form distorted CoO4 tetrahedra that share corners with two equivalent B(1)O4 tetrahedra, corners with eight equivalent Li(1)O4 tetrahedra, and  an edgeedge with one B(1)O4 tetrahedra. The Co(1)-O(2) bond length is 1.90 Å. The Co(1)-O(3) bond length is 1.93 Å. Both Co(1)-O(1) bond lengths are 1.86 Å. B(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form BO4 tetrahedra that share corners with two equivalent Co(1)O4 tetrahedra, corners with eight equivalent Li(1)O4 tetrahedra, and  an edgeedge with one Co(1)O4 tetrahedra. The B(1)-O(2) bond length is 1.49 Å. The B(1)-O(3) bond length is 1.49 Å. Both B(1)-O(1) bond lengths are 1.50 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one Co(1), and one B(1) atom to form distorted corner-sharing OLi2CoB tetrahedra. In the second O site, O(2) is bonded to two equivalent Li(1), one Co(1), and one B(1) atom to form a mixture of distorted corner and edge-sharing OLi2CoB tetrahedra. In the third O site, O(3) is bonded to two equivalent Li(1), one Co(1), and one B(1) atom to form a mixture of distorted corner and edge-sharing OLi2CoB trigonal pyramids.