Li2Co(CO3)2 crystallizes in the triclinic P1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(10), one O(19), one O(21), and one O(5) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra, and  an edgeedge with one Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-80°. In the second Li site, Li(2) is bonded to one O(20), one O(22), one O(6), and one O(9) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, and  an edgeedge with one Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-80°. In the third Li site, Li(3) is bonded to one O(11), one O(17), one O(24), and one O(8) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one Li(7)O4 tetrahedra, and  an edgeedge with one Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-80°. In the fourth Li site, Li(4) is bonded to one O(12), one O(18), one O(23), and one O(7) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Li(7)O4 tetrahedra, and  an edgeedge with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-80°. In the fifth Li site, Li(5) is bonded in a 4-coordinate geometry to one O(16), one O(19), one O(3), and one O(9) atom. In the sixth Li site, Li(6) is bonded in a 4-coordinate geometry to one O(10), one O(15), one O(20), and one O(4) atom. In the seventh Li site, Li(7) is bonded to one O(11), one O(13), one O(18), and one O(2) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent Co(3)O6 octahedra,  a cornercorner with one Li(3)O4 trigonal pyramid, and  a cornercorner with one Li(4)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 43-79°. In the eighth Li site, Li(8) is bonded in a 4-coordinate geometry to one O(1), one O(12), one O(14), and one O(17) atom. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(12), one O(14), one O(18), one O(22), one O(4), and one O(8) atom to form distorted CoO6 octahedra that share  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  a cornercorner with one Li(3)O4 trigonal pyramid, and  an edgeedge with one Li(4)O4 trigonal pyramid. In the second Co site, Co(2) is bonded to one O(10), one O(15), one O(19), one O(2), one O(23), and one O(6) atom to form distorted CoO6 octahedra that share  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  a cornercorner with one Li(4)O4 trigonal pyramid, and  an edgeedge with one Li(1)O4 trigonal pyramid. In the third Co site, Co(3) is bonded to one O(11), one O(13), one O(17), one O(21), one O(3), and one O(7) atom to form distorted CoO6 octahedra that share corners with two equivalent Li(7)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid,  a cornercorner with one Li(4)O4 trigonal pyramid, and  an edgeedge with one Li(3)O4 trigonal pyramid. In the fourth Co site, Co(4) is bonded to one O(1), one O(16), one O(20), one O(24), one O(5), and one O(9) atom to form distorted CoO6 octahedra that share  a cornercorner with one Li(1)O4 trigonal pyramid,  a cornercorner with one Li(3)O4 trigonal pyramid, and  an edgeedge with one Li(2)O4 trigonal pyramid. 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(13), and one O(5) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(14), 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(15), 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(16), one O(4), and one O(8) atom. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one O(17), one O(21), and one O(9) atom. In the sixth C site, C(6) is bonded in a trigonal planar geometry to one O(10), one O(18), and one O(22) atom. In the seventh C site, C(7) is bonded in a trigonal planar geometry to one O(11), one O(19), and one O(23) atom. In the eighth C site, C(8) is bonded in a trigonal planar geometry to one O(12), one O(20), and one O(24) atom. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(8), one Co(4), and one C(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(7), one Co(2), and one C(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(5), one Co(3), and one C(3) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(6), one Co(1), and one C(4) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Li(1), one Co(4), and one C(1) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Li(2), one Co(2), and one C(2) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Li(4), one Co(3), and one C(3) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Li(3), one Co(1), and one C(4) atom. In the ninth O site, O(9) is bonded in a distorted tetrahedral geometry to one Li(2), one Li(5), one Co(4), and one C(5) atom. In the tenth O site, O(10) is bonded to one Li(1), one Li(6), one Co(2), and one C(6) atom to form distorted corner-sharing OLi2CoC tetrahedra. In the eleventh O site, O(11) is bonded to one Li(3), one Li(7), one Co(3), and one C(7) atom to form distorted corner-sharing OLi2CoC tetrahedra. In the twelfth O site, O(12) is bonded to one Li(4), one Li(8), one Co(1), and one C(8) atom to form distorted edge-sharing OLi2CoC tetrahedra. In the thirteenth O site, O(13) is bonded in a trigonal non-coplanar geometry to one Li(7), one Co(3), and one C(1) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal non-coplanar geometry to one Li(8), one Co(1), and one C(2) atom. In the fifteenth O site, O(15) is bonded in a trigonal non-coplanar geometry to one Li(6), one Co(2), and one C(3) atom. In the sixteenth O site, O(16) is bonded in a trigonal non-coplanar geometry to one Li(5), one Co(4), and one C(4) atom. In the seventeenth O site, O(17) is bonded in a 4-coordinate geometry to one Li(3), one Li(8), one Co(3), and one C(5) atom. In the eighteenth O site, O(18) is bonded to one Li(4), one Li(7), one Co(1), and one C(6) atom to form a mixture of distorted corner and edge-sharing OLi2CoC trigonal pyramids. In the nineteenth O site, O(19) is bonded in a 4-coordinate geometry to one Li(1), one Li(5), one Co(2), and one C(7) atom. In the twentieth O site, O(20) is bonded in a 4-coordinate geometry to one Li(2), one Li(6), 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(1), one Co(3), and one C(5) atom. In the twenty-second O site, O(22) is bonded in a 3-coordinate geometry to one Li(2), one Co(1), and one C(6) atom. In the twenty-third O site, O(23) is bonded in a 3-coordinate geometry to one Li(4), one Co(2), and one C(7) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one Li(3), one Co(4), and one C(8) atom.
Li2Co(CO3)2 crystallizes in the triclinic P1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(10), one O(19), one O(21), and one O(5) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra, and  an edgeedge with one Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-80°. The Li(1)-O(10) bond length is 2.05 Å. The Li(1)-O(19) bond length is 2.13 Å. The Li(1)-O(21) bond length is 1.98 Å. The Li(1)-O(5) bond length is 1.99 Å. In the second Li site, Li(2) is bonded to one O(20), one O(22), one O(6), and one O(9) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, and  an edgeedge with one Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-80°. The Li(2)-O(20) bond length is 2.14 Å. The Li(2)-O(22) bond length is 1.98 Å. The Li(2)-O(6) bond length is 1.98 Å. The Li(2)-O(9) bond length is 2.06 Å. In the third Li site, Li(3) is bonded to one O(11), one O(17), one O(24), and one O(8) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one Li(7)O4 tetrahedra, and  an edgeedge with one Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-80°. The Li(3)-O(11) bond length is 2.06 Å. The Li(3)-O(17) bond length is 2.12 Å. The Li(3)-O(24) bond length is 1.98 Å. The Li(3)-O(8) bond length is 1.99 Å. In the fourth Li site, Li(4) is bonded to one O(12), one O(18), one O(23), and one O(7) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Li(7)O4 tetrahedra, and  an edgeedge with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-80°. The Li(4)-O(12) bond length is 2.05 Å. The Li(4)-O(18) bond length is 2.13 Å. The Li(4)-O(23) bond length is 1.98 Å. The Li(4)-O(7) bond length is 1.98 Å. In the fifth Li site, Li(5) is bonded in a 4-coordinate geometry to one O(16), one O(19), one O(3), and one O(9) atom. The Li(5)-O(16) bond length is 1.97 Å. The Li(5)-O(19) bond length is 2.59 Å. The Li(5)-O(3) bond length is 1.93 Å. The Li(5)-O(9) bond length is 2.08 Å. In the sixth Li site, Li(6) is bonded in a 4-coordinate geometry to one O(10), one O(15), one O(20), and one O(4) atom. The Li(6)-O(10) bond length is 2.09 Å. The Li(6)-O(15) bond length is 1.97 Å. The Li(6)-O(20) bond length is 2.57 Å. The Li(6)-O(4) bond length is 1.93 Å. In the seventh Li site, Li(7) is bonded to one O(11), one O(13), one O(18), and one O(2) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent Co(3)O6 octahedra,  a cornercorner with one Li(3)O4 trigonal pyramid, and  a cornercorner with one Li(4)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 43-79°. The Li(7)-O(11) bond length is 2.08 Å. The Li(7)-O(13) bond length is 1.97 Å. The Li(7)-O(18) bond length is 2.56 Å. The Li(7)-O(2) bond length is 1.93 Å. In the eighth Li site, Li(8) is bonded in a 4-coordinate geometry to one O(1), one O(12), one O(14), and one O(17) atom. The Li(8)-O(1) bond length is 1.93 Å. The Li(8)-O(12) bond length is 2.08 Å. The Li(8)-O(14) bond length is 1.97 Å. The Li(8)-O(17) bond length is 2.58 Å. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(12), one O(14), one O(18), one O(22), one O(4), and one O(8) atom to form distorted CoO6 octahedra that share  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  a cornercorner with one Li(3)O4 trigonal pyramid, and  an edgeedge with one Li(4)O4 trigonal pyramid. The Co(1)-O(12) bond length is 2.17 Å. The Co(1)-O(14) bond length is 2.07 Å. The Co(1)-O(18) bond length is 2.15 Å. The Co(1)-O(22) bond length is 2.14 Å. The Co(1)-O(4) bond length is 2.16 Å. The Co(1)-O(8) bond length is 2.10 Å. In the second Co site, Co(2) is bonded to one O(10), one O(15), one O(19), one O(2), one O(23), and one O(6) atom to form distorted CoO6 octahedra that share  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  a cornercorner with one Li(4)O4 trigonal pyramid, and  an edgeedge with one Li(1)O4 trigonal pyramid. The Co(2)-O(10) bond length is 2.17 Å. The Co(2)-O(15) bond length is 2.07 Å. The Co(2)-O(19) bond length is 2.14 Å. The Co(2)-O(2) bond length is 2.16 Å. The Co(2)-O(23) bond length is 2.14 Å. The Co(2)-O(6) bond length is 2.10 Å. In the third Co site, Co(3) is bonded to one O(11), one O(13), one O(17), one O(21), one O(3), and one O(7) atom to form distorted CoO6 octahedra that share corners with two equivalent Li(7)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid,  a cornercorner with one Li(4)O4 trigonal pyramid, and  an edgeedge with one Li(3)O4 trigonal pyramid. The Co(3)-O(11) bond length is 2.17 Å. The Co(3)-O(13) bond length is 2.07 Å. The Co(3)-O(17) bond length is 2.14 Å. The Co(3)-O(21) bond length is 2.14 Å. The Co(3)-O(3) bond length is 2.16 Å. The Co(3)-O(7) bond length is 2.10 Å. In the fourth Co site, Co(4) is bonded to one O(1), one O(16), one O(20), one O(24), one O(5), and one O(9) atom to form distorted CoO6 octahedra that share  a cornercorner with one Li(1)O4 trigonal pyramid,  a cornercorner with one Li(3)O4 trigonal pyramid, and  an edgeedge with one Li(2)O4 trigonal pyramid. The Co(4)-O(1) bond length is 2.16 Å. The Co(4)-O(16) bond length is 2.07 Å. The Co(4)-O(20) bond length is 2.15 Å. The Co(4)-O(24) bond length is 2.15 Å. The Co(4)-O(5) bond length is 2.10 Å. The Co(4)-O(9) bond length is 2.17 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(13), and one O(5) atom. The C(1)-O(1) bond length is 1.30 Å. The C(1)-O(13) bond length is 1.30 Å. The C(1)-O(5) bond length is 1.30 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(14), one O(2), and one O(6) atom. The C(2)-O(14) bond length is 1.30 Å. The C(2)-O(2) bond length is 1.30 Å. The C(2)-O(6) bond length is 1.30 Å. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(15), one O(3), and one O(7) atom. The C(3)-O(15) bond length is 1.30 Å. The C(3)-O(3) bond length is 1.30 Å. The C(3)-O(7) bond length is 1.30 Å. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(16), one O(4), and one O(8) atom. The C(4)-O(16) bond length is 1.30 Å. The C(4)-O(4) bond length is 1.30 Å. The C(4)-O(8) bond length is 1.30 Å. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one O(17), one O(21), and one O(9) atom. The C(5)-O(17) bond length is 1.30 Å. The C(5)-O(21) bond length is 1.29 Å. The C(5)-O(9) bond length is 1.31 Å. In the sixth C site, C(6) is bonded in a trigonal planar geometry to one O(10), one O(18), and one O(22) atom. The C(6)-O(10) bond length is 1.31 Å. The C(6)-O(18) bond length is 1.30 Å. The C(6)-O(22) bond length is 1.29 Å. In the seventh C site, C(7) is bonded in a trigonal planar geometry to one O(11), one O(19), and one O(23) atom. The C(7)-O(11) bond length is 1.31 Å. The C(7)-O(19) bond length is 1.31 Å. The C(7)-O(23) bond length is 1.29 Å. In the eighth C site, C(8) is bonded in a trigonal planar geometry to one O(12), one O(20), and one O(24) atom. The C(8)-O(12) bond length is 1.31 Å. The C(8)-O(20) bond length is 1.30 Å. The C(8)-O(24) bond length is 1.29 Å. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(8), one Co(4), and one C(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(7), one Co(2), and one C(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(5), one Co(3), and one C(3) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(6), one Co(1), and one C(4) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Li(1), one Co(4), and one C(1) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Li(2), one Co(2), and one C(2) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Li(4), one Co(3), and one C(3) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Li(3), one Co(1), and one C(4) atom. In the ninth O site, O(9) is bonded in a distorted tetrahedral geometry to one Li(2), one Li(5), one Co(4), and one C(5) atom. In the tenth O site, O(10) is bonded to one Li(1), one Li(6), one Co(2), and one C(6) atom to form distorted corner-sharing OLi2CoC tetrahedra. In the eleventh O site, O(11) is bonded to one Li(3), one Li(7), one Co(3), and one C(7) atom to form distorted corner-sharing OLi2CoC tetrahedra. In the twelfth O site, O(12) is bonded to one Li(4), one Li(8), one Co(1), and one C(8) atom to form distorted edge-sharing OLi2CoC tetrahedra. In the thirteenth O site, O(13) is bonded in a trigonal non-coplanar geometry to one Li(7), one Co(3), and one C(1) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal non-coplanar geometry to one Li(8), one Co(1), and one C(2) atom. In the fifteenth O site, O(15) is bonded in a trigonal non-coplanar geometry to one Li(6), one Co(2), and one C(3) atom. In the sixteenth O site, O(16) is bonded in a trigonal non-coplanar geometry to one Li(5), one Co(4), and one C(4) atom. In the seventeenth O site, O(17) is bonded in a 4-coordinate geometry to one Li(3), one Li(8), one Co(3), and one C(5) atom. In the eighteenth O site, O(18) is bonded to one Li(4), one Li(7), one Co(1), and one C(6) atom to form a mixture of distorted corner and edge-sharing OLi2CoC trigonal pyramids. In the nineteenth O site, O(19) is bonded in a 4-coordinate geometry to one Li(1), one Li(5), one Co(2), and one C(7) atom. In the twentieth O site, O(20) is bonded in a 4-coordinate geometry to one Li(2), one Li(6), 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(1), one Co(3), and one C(5) atom. In the twenty-second O site, O(22) is bonded in a 3-coordinate geometry to one Li(2), one Co(1), and one C(6) atom. In the twenty-third O site, O(23) is bonded in a 3-coordinate geometry to one Li(4), one Co(2), and one C(7) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one Li(3), one Co(4), and one C(8) atom.