Li2CoBO4 is Clathrate-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(2), one O(4), and two equivalent O(1) atoms to form LiO4 trigonal pyramids that share  a cornercorner with one Co(1)O4 tetrahedra, 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 Co(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 Co(1)O4 tetrahedra, corners with two equivalent Li(1)O4 trigonal pyramids, and  an edgeedge with one Li(1)O4 trigonal pyramid. Co(1) is bonded to one O(2), one O(3), and two equivalent O(4) atoms to form CoO4 tetrahedra that share corners with two equivalent Co(1)O4 tetrahedra, corners with four equivalent Li(2)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid, and  an edgeedge with one Li(1)O4 trigonal pyramid. B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), two equivalent Li(1), and one B(1) atom to form distorted OLi3B tetrahedra that share corners with two equivalent O(1)Li3B tetrahedra,  a cornercorner with one O(4)Li2Co2 trigonal pyramid, corners with four equivalent O(2)Li2CoB trigonal pyramids, and  an edgeedge with one O(4)Li2Co2 trigonal pyramid. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Co(1), and one B(1) atom to form distorted OLi2CoB trigonal pyramids that share corners with four equivalent O(1)Li3B tetrahedra, corners with two equivalent O(4)Li2Co2 trigonal pyramids, and  an edgeedge with one O(4)Li2Co2 trigonal pyramid. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(2), one Co(1), and one B(1) atom. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), and two equivalent Co(1) atoms to form distorted OLi2Co2 trigonal pyramids that share  a cornercorner with one O(1)Li3B tetrahedra, corners with two equivalent O(4)Li2Co2 trigonal pyramids, corners with two equivalent O(2)Li2CoB trigonal pyramids,  an edgeedge with one O(1)Li3B tetrahedra, and  an edgeedge with one O(2)Li2CoB trigonal pyramid.
Li2CoBO4 is Clathrate-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(2), one O(4), and two equivalent O(1) atoms to form LiO4 trigonal pyramids that share  a cornercorner with one Co(1)O4 tetrahedra, 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 Co(1)O4 tetrahedra. The Li(1)-O(2) bond length is 2.08 Å. The Li(1)-O(4) bond length is 2.11 Å. Both Li(1)-O(1) bond lengths are 1.95 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 Co(1)O4 tetrahedra, corners with two equivalent Li(1)O4 trigonal pyramids, and  an edgeedge with one Li(1)O4 trigonal pyramid. The Li(2)-O(1) bond length is 1.99 Å. The Li(2)-O(2) bond length is 2.01 Å. The Li(2)-O(3) bond length is 1.96 Å. The Li(2)-O(4) bond length is 1.98 Å. Co(1) is bonded to one O(2), one O(3), and two equivalent O(4) atoms to form CoO4 tetrahedra that share corners with two equivalent Co(1)O4 tetrahedra, corners with four equivalent Li(2)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid, and  an edgeedge with one Li(1)O4 trigonal pyramid. The Co(1)-O(2) bond length is 1.93 Å. The Co(1)-O(3) bond length is 1.86 Å. There is one shorter (1.81 Å) and one longer (1.90 Å) Co(1)-O(4) bond length. B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. The B(1)-O(1) bond length is 1.35 Å. The B(1)-O(2) bond length is 1.41 Å. The B(1)-O(3) bond length is 1.40 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), two equivalent Li(1), and one B(1) atom to form distorted OLi3B tetrahedra that share corners with two equivalent O(1)Li3B tetrahedra,  a cornercorner with one O(4)Li2Co2 trigonal pyramid, corners with four equivalent O(2)Li2CoB trigonal pyramids, and  an edgeedge with one O(4)Li2Co2 trigonal pyramid. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Co(1), and one B(1) atom to form distorted OLi2CoB trigonal pyramids that share corners with four equivalent O(1)Li3B tetrahedra, corners with two equivalent O(4)Li2Co2 trigonal pyramids, and  an edgeedge with one O(4)Li2Co2 trigonal pyramid. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(2), one Co(1), and one B(1) atom. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), and two equivalent Co(1) atoms to form distorted OLi2Co2 trigonal pyramids that share  a cornercorner with one O(1)Li3B tetrahedra, corners with two equivalent O(4)Li2Co2 trigonal pyramids, corners with two equivalent O(2)Li2CoB trigonal pyramids,  an edgeedge with one O(1)Li3B tetrahedra, and  an edgeedge with one O(2)Li2CoB trigonal pyramid.