LiCo(CO3)2 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(16), one O(17), one O(23), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, and corners with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-75°. In the second Li site, Li(2) is bonded to one O(15), one O(18), one O(2), one O(24), and one O(7) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Co(4)O6 octahedra, corners with two equivalent Co(3)O6 octahedra, and  an edgeedge with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-69°. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(13), one O(19), one O(21), one O(3), and one O(5) atom. In the fourth Li site, Li(4) is bonded to one O(14), one O(20), one O(22), and one O(6) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra, and corners with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-74°. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(11), one O(16), one O(18), one O(2), one O(21), and one O(8) atom to form distorted CoO6 octahedra that share corners with two equivalent Li(1)O4 tetrahedra and  an edgeedge with one Li(2)O5 trigonal bipyramid. In the second Co site, Co(2) is bonded to one O(10), one O(14), one O(19), one O(23), one O(3), and one O(6) atom to form distorted CoO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra and corners with two equivalent Li(4)O4 tetrahedra. In the third Co site, Co(3) is bonded to one O(1), one O(12), one O(15), one O(17), one O(22), and one O(7) atom to form CoO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, and corners with two equivalent Li(2)O5 trigonal bipyramids. In the fourth Co site, Co(4) is bonded to one O(13), one O(20), one O(24), one O(4), one O(5), and one O(9) atom to form distorted CoO6 octahedra that share  a cornercorner with one Li(4)O4 tetrahedra and  a cornercorner with one Li(2)O5 trigonal bipyramid. There are eight inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(12), and one O(5) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(11), one O(2), and one O(6) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(10), one O(3), and one O(7) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(4), one O(8), and one O(9) atom. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one O(13), one O(17), and one O(24) atom. In the sixth C site, C(6) is bonded in a trigonal planar geometry to one O(14), one O(18), and one O(23) atom. In the seventh C site, C(7) is bonded in a trigonal planar geometry to one O(15), one O(19), and one O(22) atom. In the eighth C site, C(8) is bonded in a trigonal planar geometry to one O(16), one O(20), and one O(21) atom. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in an L-shaped geometry to one Co(3) and one C(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(2), one Co(1), and one C(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(3), one Co(2), and one C(3) atom. In the fourth O site, O(4) is bonded in a distorted L-shaped geometry to one Co(4) and one C(4) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(3), one Co(4), and one C(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(4), one Co(2), and one C(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(2), one Co(3), and one C(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(1), and one C(4) atom. In the ninth O site, O(9) is bonded in an L-shaped geometry to one Co(4) and one C(4) atom. In the tenth O site, O(10) is bonded in an L-shaped geometry to one Co(2) and one C(3) atom. In the eleventh O site, O(11) is bonded in an L-shaped geometry to one Co(1) and one C(2) atom. In the twelfth O site, O(12) is bonded in an L-shaped geometry to one Co(3) and one C(1) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Li(3), one Co(4), and one C(5) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Li(4), one Co(2), and one C(6) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Li(2), one Co(3), and one C(7) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Li(1), one Co(1), and one C(8) atom. In the seventeenth O site, O(17) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Co(3), and one C(5) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal planar geometry to one Li(2), one Co(1), and one C(6) atom. In the nineteenth O site, O(19) is bonded in a 3-coordinate geometry to one Li(3), one Co(2), and one C(7) atom. In the twentieth O site, O(20) is bonded in a distorted trigonal planar geometry to one Li(4), one Co(4), and one C(8) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one Li(3), one Co(1), and one C(8) atom. In the twenty-second O site, O(22) is bonded in a 3-coordinate geometry to one Li(4), one Co(3), and one C(7) atom. In the twenty-third O site, O(23) is bonded in a 3-coordinate geometry to one Li(1), one Co(2), and one C(6) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one Li(2), one Co(4), and one C(5) atom.
LiCo(CO3)2 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(16), one O(17), one O(23), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, and corners with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-75°. The Li(1)-O(16) bond length is 2.26 Å. The Li(1)-O(17) bond length is 1.99 Å. The Li(1)-O(23) bond length is 2.04 Å. The Li(1)-O(8) bond length is 2.15 Å. In the second Li site, Li(2) is bonded to one O(15), one O(18), one O(2), one O(24), and one O(7) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Co(4)O6 octahedra, corners with two equivalent Co(3)O6 octahedra, and  an edgeedge with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-69°. The Li(2)-O(15) bond length is 2.31 Å. The Li(2)-O(18) bond length is 2.08 Å. The Li(2)-O(2) bond length is 2.36 Å. The Li(2)-O(24) bond length is 1.99 Å. The Li(2)-O(7) bond length is 2.20 Å. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(13), one O(19), one O(21), one O(3), and one O(5) atom. The Li(3)-O(13) bond length is 2.12 Å. The Li(3)-O(19) bond length is 2.04 Å. The Li(3)-O(21) bond length is 2.00 Å. The Li(3)-O(3) bond length is 2.46 Å. The Li(3)-O(5) bond length is 2.41 Å. In the fourth Li site, Li(4) is bonded to one O(14), one O(20), one O(22), and one O(6) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra, and corners with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-74°. The Li(4)-O(14) bond length is 2.35 Å. The Li(4)-O(20) bond length is 2.03 Å. The Li(4)-O(22) bond length is 2.02 Å. The Li(4)-O(6) bond length is 2.08 Å. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(11), one O(16), one O(18), one O(2), one O(21), and one O(8) atom to form distorted CoO6 octahedra that share corners with two equivalent Li(1)O4 tetrahedra and  an edgeedge with one Li(2)O5 trigonal bipyramid. The Co(1)-O(11) bond length is 2.02 Å. The Co(1)-O(16) bond length is 2.05 Å. The Co(1)-O(18) bond length is 2.16 Å. The Co(1)-O(2) bond length is 2.05 Å. The Co(1)-O(21) bond length is 2.13 Å. The Co(1)-O(8) bond length is 1.94 Å. In the second Co site, Co(2) is bonded to one O(10), one O(14), one O(19), one O(23), one O(3), and one O(6) atom to form distorted CoO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra and corners with two equivalent Li(4)O4 tetrahedra. The Co(2)-O(10) bond length is 1.92 Å. The Co(2)-O(14) bond length is 1.97 Å. The Co(2)-O(19) bond length is 2.26 Å. The Co(2)-O(23) bond length is 1.99 Å. The Co(2)-O(3) bond length is 1.94 Å. The Co(2)-O(6) bond length is 2.11 Å. In the third Co site, Co(3) is bonded to one O(1), one O(12), one O(15), one O(17), one O(22), and one O(7) atom to form CoO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, and corners with two equivalent Li(2)O5 trigonal bipyramids. The Co(3)-O(1) bond length is 1.96 Å. The Co(3)-O(12) bond length is 1.93 Å. The Co(3)-O(15) bond length is 1.95 Å. The Co(3)-O(17) bond length is 2.18 Å. The Co(3)-O(22) bond length is 1.99 Å. The Co(3)-O(7) bond length is 2.15 Å. In the fourth Co site, Co(4) is bonded to one O(13), one O(20), one O(24), one O(4), one O(5), and one O(9) atom to form distorted CoO6 octahedra that share  a cornercorner with one Li(4)O4 tetrahedra and  a cornercorner with one Li(2)O5 trigonal bipyramid. The Co(4)-O(13) bond length is 2.05 Å. The Co(4)-O(20) bond length is 2.02 Å. The Co(4)-O(24) bond length is 2.08 Å. The Co(4)-O(4) bond length is 2.09 Å. The Co(4)-O(5) bond length is 1.98 Å. The Co(4)-O(9) bond length is 2.03 Å. There are eight inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(12), and one O(5) atom. The C(1)-O(1) bond length is 1.30 Å. The C(1)-O(12) bond length is 1.30 Å. The C(1)-O(5) bond length is 1.29 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(11), one O(2), and one O(6) atom. The C(2)-O(11) bond length is 1.30 Å. The C(2)-O(2) bond length is 1.31 Å. The C(2)-O(6) bond length is 1.28 Å. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(10), one O(3), and one O(7) atom. The C(3)-O(10) bond length is 1.31 Å. The C(3)-O(3) bond length is 1.31 Å. The C(3)-O(7) bond length is 1.27 Å. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(4), one O(8), and one O(9) atom. The C(4)-O(4) bond length is 1.29 Å. The C(4)-O(8) bond length is 1.31 Å. The C(4)-O(9) bond length is 1.29 Å. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one O(13), one O(17), and one O(24) atom. The C(5)-O(13) bond length is 1.31 Å. The C(5)-O(17) bond length is 1.28 Å. The C(5)-O(24) bond length is 1.31 Å. In the sixth C site, C(6) is bonded in a trigonal planar geometry to one O(14), one O(18), and one O(23) atom. The C(6)-O(14) bond length is 1.31 Å. The C(6)-O(18) bond length is 1.27 Å. The C(6)-O(23) bond length is 1.31 Å. In the seventh C site, C(7) is bonded in a trigonal planar geometry to one O(15), one O(19), and one O(22) atom. The C(7)-O(15) bond length is 1.31 Å. The C(7)-O(19) bond length is 1.26 Å. The C(7)-O(22) bond length is 1.32 Å. In the eighth C site, C(8) is bonded in a trigonal planar geometry to one O(16), one O(20), and one O(21) atom. The C(8)-O(16) bond length is 1.30 Å. The C(8)-O(20) bond length is 1.30 Å. The C(8)-O(21) bond length is 1.30 Å. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in an L-shaped geometry to one Co(3) and one C(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(2), one Co(1), and one C(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(3), one Co(2), and one C(3) atom. In the fourth O site, O(4) is bonded in a distorted L-shaped geometry to one Co(4) and one C(4) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(3), one Co(4), and one C(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(4), one Co(2), and one C(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(2), one Co(3), and one C(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(1), and one C(4) atom. In the ninth O site, O(9) is bonded in an L-shaped geometry to one Co(4) and one C(4) atom. In the tenth O site, O(10) is bonded in an L-shaped geometry to one Co(2) and one C(3) atom. In the eleventh O site, O(11) is bonded in an L-shaped geometry to one Co(1) and one C(2) atom. In the twelfth O site, O(12) is bonded in an L-shaped geometry to one Co(3) and one C(1) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Li(3), one Co(4), and one C(5) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Li(4), one Co(2), and one C(6) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Li(2), one Co(3), and one C(7) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Li(1), one Co(1), and one C(8) atom. In the seventeenth O site, O(17) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Co(3), and one C(5) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal planar geometry to one Li(2), one Co(1), and one C(6) atom. In the nineteenth O site, O(19) is bonded in a 3-coordinate geometry to one Li(3), one Co(2), and one C(7) atom. In the twentieth O site, O(20) is bonded in a distorted trigonal planar geometry to one Li(4), one Co(4), and one C(8) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one Li(3), one Co(1), and one C(8) atom. In the twenty-second O site, O(22) is bonded in a 3-coordinate geometry to one Li(4), one Co(3), and one C(7) atom. In the twenty-third O site, O(23) is bonded in a 3-coordinate geometry to one Li(1), one Co(2), and one C(6) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one Li(2), one Co(4), and one C(5) atom.