LiCo2(BO3)2 crystallizes in the triclinic P1 space group. Li(1) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form LiO4 tetrahedra that share  a cornercorner with one Co(1)O5 trigonal bipyramid, corners with three equivalent Co(2)O5 trigonal bipyramids, and  an edgeedge with one Co(1)O5 trigonal bipyramid. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(2), one O(3), one O(5), and one O(6) atom to form CoO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  an edgeedge with one Li(1)O4 tetrahedra, and edges with two equivalent Co(2)O5 trigonal bipyramids. In the second Co site, Co(2) is bonded to one O(1), one O(2), one O(4), one O(5), and one O(6) atom to form distorted CoO5 trigonal bipyramids that share corners with three equivalent Li(1)O4 tetrahedra and edges with two equivalent Co(1)O5 trigonal bipyramids. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(4), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Co(1), one Co(2), and one B(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Co(1), one Co(2), and one B(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Co(1), and one B(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(2), and one B(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), one Co(1), one Co(2), and one B(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(1), one Co(1), one Co(2), and one B(2) atom.
LiCo2(BO3)2 crystallizes in the triclinic P1 space group. Li(1) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form LiO4 tetrahedra that share  a cornercorner with one Co(1)O5 trigonal bipyramid, corners with three equivalent Co(2)O5 trigonal bipyramids, and  an edgeedge with one Co(1)O5 trigonal bipyramid. The Li(1)-O(3) bond length is 2.01 Å. The Li(1)-O(4) bond length is 1.90 Å. The Li(1)-O(5) bond length is 2.03 Å. The Li(1)-O(6) bond length is 2.00 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(2), one O(3), one O(5), and one O(6) atom to form CoO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  an edgeedge with one Li(1)O4 tetrahedra, and edges with two equivalent Co(2)O5 trigonal bipyramids. The Co(1)-O(1) bond length is 1.87 Å. The Co(1)-O(2) bond length is 1.92 Å. The Co(1)-O(3) bond length is 1.83 Å. The Co(1)-O(5) bond length is 2.17 Å. The Co(1)-O(6) bond length is 2.15 Å. In the second Co site, Co(2) is bonded to one O(1), one O(2), one O(4), one O(5), and one O(6) atom to form distorted CoO5 trigonal bipyramids that share corners with three equivalent Li(1)O4 tetrahedra and edges with two equivalent Co(1)O5 trigonal bipyramids. The Co(2)-O(1) bond length is 2.38 Å. The Co(2)-O(2) bond length is 2.07 Å. The Co(2)-O(4) bond length is 1.96 Å. The Co(2)-O(5) bond length is 2.04 Å. The Co(2)-O(6) bond length is 1.99 Å. There are two inequivalent B sites. In the first B site, 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 1.37 Å. The B(1)-O(2) bond length is 1.39 Å. The B(1)-O(3) bond length is 1.38 Å. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(4), one O(5), and one O(6) atom. The B(2)-O(4) bond length is 1.35 Å. The B(2)-O(5) bond length is 1.41 Å. The B(2)-O(6) bond length is 1.41 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Co(1), one Co(2), and one B(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Co(1), one Co(2), and one B(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Co(1), and one B(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(2), and one B(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), one Co(1), one Co(2), and one B(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(1), one Co(1), one Co(2), and one B(2) atom.