Li3Co2(CO3)4 crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), one O(4), and one O(7) atom to form distorted LiO4 trigonal pyramids that share corners with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-56°. In the second Li site, Li(2) is bonded to one O(11), one O(5), one O(8), and one O(9) atom to form LiO4 tetrahedra that share corners with two equivalent Co(2)O6 octahedra and corners with two equivalent Li(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 37-62°. In the third Li site, Li(3) is bonded to one O(1), one O(10), one O(11), one O(12), and one O(8) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent Li(2)O4 tetrahedra, and  an edgeedge with one Co(2)O6 octahedra. The corner-sharing octahedral tilt angles are 66°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 6-coordinate geometry to one O(10), one O(2), one O(5), one O(6), one O(7), and one O(8) atom. In the second Co site, Co(2) is bonded to one O(1), one O(11), one O(12), one O(3), one O(4), and one O(9) atom to form distorted CoO6 octahedra that share corners with two equivalent Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O5 trigonal bipyramid, corners with two equivalent Li(1)O4 trigonal pyramids, and  an edgeedge with one Li(3)O5 trigonal bipyramid. There are four inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(6) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(3), one O(4), and one O(5) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(11), one O(7), and one O(9) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(10), one O(12), and one O(8) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(3), one Co(2), and one C(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Co(1), and one C(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Co(2), and one C(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Co(2), and one C(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(2), one Co(1), and one C(2) atom. In the sixth O site, O(6) is bonded in an L-shaped geometry to one Co(1) and one C(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(1), and one C(3) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Co(1), and one C(4) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(2), one Co(2), and one C(3) atom. In the tenth O site, O(10) is bonded in a T-shaped geometry to one Li(3), one Co(1), and one C(4) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Co(2), and one C(3) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(3), one Co(2), and one C(4) atom.
Li3Co2(CO3)4 crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), one O(4), and one O(7) atom to form distorted LiO4 trigonal pyramids that share corners with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-56°. The Li(1)-O(2) bond length is 2.05 Å. The Li(1)-O(3) bond length is 1.91 Å. The Li(1)-O(4) bond length is 1.93 Å. The Li(1)-O(7) bond length is 2.02 Å. In the second Li site, Li(2) is bonded to one O(11), one O(5), one O(8), and one O(9) atom to form LiO4 tetrahedra that share corners with two equivalent Co(2)O6 octahedra and corners with two equivalent Li(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 37-62°. The Li(2)-O(11) bond length is 1.98 Å. The Li(2)-O(5) bond length is 2.02 Å. The Li(2)-O(8) bond length is 2.08 Å. The Li(2)-O(9) bond length is 1.97 Å. In the third Li site, Li(3) is bonded to one O(1), one O(10), one O(11), one O(12), and one O(8) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent Li(2)O4 tetrahedra, and  an edgeedge with one Co(2)O6 octahedra. The corner-sharing octahedral tilt angles are 66°. The Li(3)-O(1) bond length is 2.03 Å. The Li(3)-O(10) bond length is 2.18 Å. The Li(3)-O(11) bond length is 2.20 Å. The Li(3)-O(12) bond length is 2.28 Å. The Li(3)-O(8) bond length is 2.11 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 6-coordinate geometry to one O(10), one O(2), one O(5), one O(6), one O(7), and one O(8) atom. The Co(1)-O(10) bond length is 2.02 Å. The Co(1)-O(2) bond length is 2.10 Å. The Co(1)-O(5) bond length is 1.96 Å. The Co(1)-O(6) bond length is 2.05 Å. The Co(1)-O(7) bond length is 1.99 Å. The Co(1)-O(8) bond length is 2.26 Å. In the second Co site, Co(2) is bonded to one O(1), one O(11), one O(12), one O(3), one O(4), and one O(9) atom to form distorted CoO6 octahedra that share corners with two equivalent Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O5 trigonal bipyramid, corners with two equivalent Li(1)O4 trigonal pyramids, and  an edgeedge with one Li(3)O5 trigonal bipyramid. The Co(2)-O(1) bond length is 2.07 Å. The Co(2)-O(11) bond length is 2.26 Å. The Co(2)-O(12) bond length is 2.05 Å. The Co(2)-O(3) bond length is 2.22 Å. The Co(2)-O(4) bond length is 2.09 Å. The Co(2)-O(9) bond length is 2.14 Å. There are four inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(6) atom. The C(1)-O(1) bond length is 1.28 Å. The C(1)-O(2) bond length is 1.30 Å. The C(1)-O(6) bond length is 1.30 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(3), one O(4), and one O(5) atom. The C(2)-O(3) bond length is 1.27 Å. The C(2)-O(4) bond length is 1.30 Å. The C(2)-O(5) bond length is 1.32 Å. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(11), one O(7), and one O(9) atom. The C(3)-O(11) bond length is 1.30 Å. The C(3)-O(7) bond length is 1.31 Å. The C(3)-O(9) bond length is 1.29 Å. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(10), one O(12), and one O(8) atom. The C(4)-O(10) bond length is 1.31 Å. The C(4)-O(12) bond length is 1.27 Å. The C(4)-O(8) bond length is 1.31 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(3), one Co(2), and one C(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Co(1), and one C(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Co(2), and one C(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Co(2), and one C(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(2), one Co(1), and one C(2) atom. In the sixth O site, O(6) is bonded in an L-shaped geometry to one Co(1) and one C(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(1), and one C(3) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Co(1), and one C(4) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(2), one Co(2), and one C(3) atom. In the tenth O site, O(10) is bonded in a T-shaped geometry to one Li(3), one Co(1), and one C(4) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Co(2), and one C(3) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(3), one Co(2), and one C(4) atom.