Li3Co(BO2)5 crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(3), one O(5), one O(7), and one O(9) atom. In the second Li site, Li(2) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(10), one O(4), and one O(6) atom. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(4), one O(7), one O(8), and two equivalent O(2) atoms. Co(1) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(4), one O(6), and two equivalent O(5) atoms. There are five inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(10), and one O(3) atom. In the second B site, B(2) is bonded in a tetrahedral geometry to one O(2), one O(3), one O(6), and one O(8) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(2), one O(4), 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(5), and one O(8) atom. In the fifth B site, B(5) is bonded in a trigonal planar geometry to one O(6), one O(7), and one O(9) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to one Li(2), one Co(1), and one B(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Li(3), one B(2), and one B(3) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one Co(1), one B(1), and one B(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Co(1), and one B(3) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Co(1), and one B(4) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(2), one Co(1), one B(2), and one B(5) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Li(1), one Li(3), and one B(5) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(3), one B(2), and one B(4) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(1), one B(3), and one B(5) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(2), one B(1), and one B(4) atom.
Li3Co(BO2)5 crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(3), one O(5), one O(7), and one O(9) atom. The Li(1)-O(3) bond length is 2.29 Å. The Li(1)-O(5) bond length is 2.23 Å. The Li(1)-O(7) bond length is 1.92 Å. The Li(1)-O(9) bond length is 2.48 Å. In the second Li site, Li(2) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(10), one O(4), and one O(6) atom. The Li(2)-O(1) bond length is 2.40 Å. The Li(2)-O(10) bond length is 2.06 Å. The Li(2)-O(4) bond length is 2.32 Å. The Li(2)-O(6) bond length is 2.17 Å. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(4), one O(7), one O(8), and two equivalent O(2) atoms. The Li(3)-O(4) bond length is 2.53 Å. The Li(3)-O(7) bond length is 1.90 Å. The Li(3)-O(8) bond length is 2.19 Å. There is one shorter (2.02 Å) and one longer (2.26 Å) Li(3)-O(2) bond length. Co(1) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(4), one O(6), and two equivalent O(5) atoms. The Co(1)-O(1) bond length is 1.96 Å. The Co(1)-O(3) bond length is 2.27 Å. The Co(1)-O(4) bond length is 2.07 Å. The Co(1)-O(6) bond length is 2.45 Å. There is one shorter (2.10 Å) and one longer (2.11 Å) Co(1)-O(5) bond length. There are five inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(10), and one O(3) atom. The B(1)-O(1) bond length is 1.31 Å. The B(1)-O(10) bond length is 1.41 Å. The B(1)-O(3) bond length is 1.40 Å. In the second B site, B(2) is bonded in a tetrahedral geometry to one O(2), one O(3), one O(6), and one O(8) atom. The B(2)-O(2) bond length is 1.47 Å. The B(2)-O(3) bond length is 1.50 Å. The B(2)-O(6) bond length is 1.48 Å. The B(2)-O(8) bond length is 1.48 Å. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(2), one O(4), and one O(9) atom. The B(3)-O(2) bond length is 1.40 Å. The B(3)-O(4) bond length is 1.34 Å. The B(3)-O(9) bond length is 1.41 Å. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(10), one O(5), and one O(8) atom. The B(4)-O(10) bond length is 1.40 Å. The B(4)-O(5) bond length is 1.35 Å. The B(4)-O(8) bond length is 1.38 Å. In the fifth B site, B(5) is bonded in a trigonal planar geometry to one O(6), one O(7), and one O(9) atom. The B(5)-O(6) bond length is 1.42 Å. The B(5)-O(7) bond length is 1.33 Å. The B(5)-O(9) bond length is 1.42 Å. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to one Li(2), one Co(1), and one B(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Li(3), one B(2), and one B(3) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one Co(1), one B(1), and one B(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Co(1), and one B(3) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Co(1), and one B(4) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(2), one Co(1), one B(2), and one B(5) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Li(1), one Li(3), and one B(5) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(3), one B(2), and one B(4) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(1), one B(3), and one B(5) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(2), one B(1), and one B(4) atom.