Li5Co4(BO3)4 crystallizes in the triclinic P1 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(12), one O(5), one O(7), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Co(2)O4 tetrahedra, corners with three equivalent Co(4)O4 trigonal pyramids, and  an edgeedge with one Li(3)O4 trigonal pyramid. In the second Li site, Li(2) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(8) atom. In the third Li site, Li(3) is bonded to one O(10), one O(11), one O(5), and one O(7) atom to form distorted LiO4 trigonal pyramids that share corners with three equivalent Co(2)O4 tetrahedra,  an edgeedge with one Li(1)O4 tetrahedra, and  an edgeedge with one Co(4)O4 trigonal pyramid. In the fourth Li site, Li(4) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(4), one O(6), and one O(7) atom. In the fifth Li site, Li(5) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(4), one O(6), and one O(8) atom. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded in a tetrahedral geometry to one O(1), one O(3), one O(4), and one O(6) atom. In the second Co site, Co(2) is bonded to one O(10), one O(11), one O(2), and one O(5) atom to form CoO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Co(4)O4 trigonal pyramid, and corners with three equivalent Li(3)O4 trigonal pyramids. In the third Co site, Co(3) is bonded in a 4-coordinate geometry to one O(11), one O(2), one O(3), and one O(8) atom. In the fourth Co site, Co(4) is bonded to one O(10), one O(12), one O(7), and one O(9) atom to form distorted CoO4 trigonal pyramids that share  a cornercorner with one Co(2)O4 tetrahedra, corners with three equivalent Li(1)O4 tetrahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. There are four inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(8) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1), one O(4), and one O(6) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(12), one O(7), and one O(9) atom. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(10), one O(11), and one O(5) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(4), one Li(5), one Co(1), and one B(2) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(2), one Co(2), one Co(3), and one B(1) atom. In the third O site, O(3) is bonded in a distorted tetrahedral geometry to one Li(2), one Co(1), one Co(3), and one B(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(4), one Li(5), one Co(1), and one B(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Co(2), and one B(4) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(4), one Li(5), one Co(1), and one B(2) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Li(1), one Li(3), one Li(4), one Co(4), and one B(3) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(5), one Co(3), and one B(1) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(4), and one B(3) atom. In the tenth O site, O(10) is bonded in a distorted tetrahedral geometry to one Li(3), one Co(2), one Co(4), and one B(4) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Li(3), one Co(2), one Co(3), and one B(4) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(4), and one B(3) atom.
Li5Co4(BO3)4 crystallizes in the triclinic P1 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(12), one O(5), one O(7), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Co(2)O4 tetrahedra, corners with three equivalent Co(4)O4 trigonal pyramids, and  an edgeedge with one Li(3)O4 trigonal pyramid. The Li(1)-O(12) bond length is 1.88 Å. The Li(1)-O(5) bond length is 2.25 Å. The Li(1)-O(7) bond length is 1.92 Å. The Li(1)-O(9) bond length is 1.86 Å. In the second Li site, Li(2) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(8) atom. The Li(2)-O(2) bond length is 1.98 Å. The Li(2)-O(3) bond length is 1.95 Å. The Li(2)-O(8) bond length is 1.89 Å. In the third Li site, Li(3) is bonded to one O(10), one O(11), one O(5), and one O(7) atom to form distorted LiO4 trigonal pyramids that share corners with three equivalent Co(2)O4 tetrahedra,  an edgeedge with one Li(1)O4 tetrahedra, and  an edgeedge with one Co(4)O4 trigonal pyramid. The Li(3)-O(10) bond length is 1.90 Å. The Li(3)-O(11) bond length is 1.89 Å. The Li(3)-O(5) bond length is 1.89 Å. The Li(3)-O(7) bond length is 2.40 Å. In the fourth Li site, Li(4) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(4), one O(6), and one O(7) atom. The Li(4)-O(1) bond length is 2.04 Å. The Li(4)-O(4) bond length is 2.05 Å. The Li(4)-O(6) bond length is 2.07 Å. The Li(4)-O(7) bond length is 1.99 Å. In the fifth Li site, Li(5) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(4), one O(6), and one O(8) atom. The Li(5)-O(1) bond length is 2.27 Å. The Li(5)-O(4) bond length is 2.05 Å. The Li(5)-O(6) bond length is 1.98 Å. The Li(5)-O(8) bond length is 1.91 Å. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded in a tetrahedral geometry to one O(1), one O(3), one O(4), and one O(6) atom. The Co(1)-O(1) bond length is 2.01 Å. The Co(1)-O(3) bond length is 2.10 Å. The Co(1)-O(4) bond length is 2.01 Å. The Co(1)-O(6) bond length is 2.02 Å. In the second Co site, Co(2) is bonded to one O(10), one O(11), one O(2), and one O(5) atom to form CoO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Co(4)O4 trigonal pyramid, and corners with three equivalent Li(3)O4 trigonal pyramids. The Co(2)-O(10) bond length is 2.00 Å. The Co(2)-O(11) bond length is 1.97 Å. The Co(2)-O(2) bond length is 2.00 Å. The Co(2)-O(5) bond length is 1.98 Å. In the third Co site, Co(3) is bonded in a 4-coordinate geometry to one O(11), one O(2), one O(3), and one O(8) atom. The Co(3)-O(11) bond length is 2.31 Å. The Co(3)-O(2) bond length is 2.09 Å. The Co(3)-O(3) bond length is 2.01 Å. The Co(3)-O(8) bond length is 2.14 Å. In the fourth Co site, Co(4) is bonded to one O(10), one O(12), one O(7), and one O(9) atom to form distorted CoO4 trigonal pyramids that share  a cornercorner with one Co(2)O4 tetrahedra, corners with three equivalent Li(1)O4 tetrahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. The Co(4)-O(10) bond length is 2.09 Å. The Co(4)-O(12) bond length is 1.94 Å. The Co(4)-O(7) bond length is 1.98 Å. The Co(4)-O(9) bond length is 1.93 Å. There are four inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(8) atom. The B(1)-O(2) bond length is 1.39 Å. The B(1)-O(3) bond length is 1.42 Å. The B(1)-O(8) bond length is 1.37 Å. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1), one O(4), and one O(6) atom. The B(2)-O(1) bond length is 1.40 Å. The B(2)-O(4) bond length is 1.40 Å. The B(2)-O(6) bond length is 1.40 Å. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(12), one O(7), and one O(9) atom. The B(3)-O(12) bond length is 1.37 Å. The B(3)-O(7) bond length is 1.41 Å. The B(3)-O(9) bond length is 1.37 Å. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(10), one O(11), and one O(5) atom. The B(4)-O(10) bond length is 1.41 Å. The B(4)-O(11) bond length is 1.38 Å. The B(4)-O(5) bond length is 1.38 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(4), one Li(5), one Co(1), and one B(2) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(2), one Co(2), one Co(3), and one B(1) atom. In the third O site, O(3) is bonded in a distorted tetrahedral geometry to one Li(2), one Co(1), one Co(3), and one B(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(4), one Li(5), one Co(1), and one B(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Co(2), and one B(4) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(4), one Li(5), one Co(1), and one B(2) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Li(1), one Li(3), one Li(4), one Co(4), and one B(3) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(5), one Co(3), and one B(1) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(4), and one B(3) atom. In the tenth O site, O(10) is bonded in a distorted tetrahedral geometry to one Li(3), one Co(2), one Co(4), and one B(4) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Li(3), one Co(2), one Co(3), and one B(4) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(4), and one B(3) atom.