LiCo2(CO3)3 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(7), one O(8), 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(13), one O(15), and one O(18) atom. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(12), one O(16), one O(2), one O(5), and one O(6) atom to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 64-69°. In the second Co site, Co(2) is bonded to one O(10), one O(16), one O(18), one O(3), one O(4), and one O(8) atom to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 66-69°. In the third Co site, Co(3) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(13), one O(14), one O(5), and one O(7) atom. In the fourth Co site, Co(4) is bonded to one O(11), one O(12), one O(15), one O(17), one O(4), and one O(9) atom to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 64-66°. There are six inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(11), and one O(3) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(10), one O(2), and one O(9) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(4), one O(6), and one O(7) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(12), one O(13), and one O(8) atom. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one O(14), one O(15), and one O(16) atom. In the sixth C site, C(6) is bonded in a trigonal planar geometry to one O(17), one O(18), and one O(5) atom. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Co(1), and one C(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Co(1) and one C(2) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Co(2) and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(4), and one C(3) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(3), and one C(6) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Co(1) and one C(3) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(3), and one C(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(1), one Co(2), and one C(4) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Li(1), one Co(4), and one C(2) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(3), and one C(2) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Co(3), one Co(4), and one C(1) atom. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Co(1), one Co(4), and one C(4) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Li(2), one Co(3), and one C(4) atom. In the fourteenth O site, O(14) is bonded in a water-like geometry to one Co(3) and one C(5) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Li(2), one Co(4), and one C(5) atom. In the sixteenth O site, O(16) is bonded in a trigonal planar geometry to one Co(1), one Co(2), and one C(5) atom. In the seventeenth O site, O(17) is bonded in a bent 120 degrees geometry to one Co(4) and one C(6) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal planar geometry to one Li(2), one Co(2), and one C(6) atom.
LiCo2(CO3)3 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(7), one O(8), and one O(9) atom. The Li(1)-O(1) bond length is 2.35 Å. The Li(1)-O(7) bond length is 2.03 Å. The Li(1)-O(8) bond length is 2.13 Å. The Li(1)-O(9) bond length is 2.09 Å. In the second Li site, Li(2) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(13), one O(15), and one O(18) atom. The Li(2)-O(1) bond length is 2.51 Å. The Li(2)-O(13) bond length is 1.93 Å. The Li(2)-O(15) bond length is 2.16 Å. The Li(2)-O(18) bond length is 2.02 Å. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(12), one O(16), one O(2), one O(5), and one O(6) atom to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 64-69°. The Co(1)-O(1) bond length is 1.95 Å. The Co(1)-O(12) bond length is 2.03 Å. The Co(1)-O(16) bond length is 1.95 Å. The Co(1)-O(2) bond length is 1.91 Å. The Co(1)-O(5) bond length is 1.96 Å. The Co(1)-O(6) bond length is 1.91 Å. In the second Co site, Co(2) is bonded to one O(10), one O(16), one O(18), one O(3), one O(4), and one O(8) atom to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 66-69°. The Co(2)-O(10) bond length is 2.14 Å. The Co(2)-O(16) bond length is 2.20 Å. The Co(2)-O(18) bond length is 2.07 Å. The Co(2)-O(3) bond length is 2.03 Å. The Co(2)-O(4) bond length is 2.08 Å. The Co(2)-O(8) bond length is 2.24 Å. In the third Co site, Co(3) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(13), one O(14), one O(5), and one O(7) atom. The Co(3)-O(10) bond length is 2.17 Å. The Co(3)-O(11) bond length is 2.31 Å. The Co(3)-O(13) bond length is 2.18 Å. The Co(3)-O(14) bond length is 2.14 Å. The Co(3)-O(5) bond length is 2.28 Å. The Co(3)-O(7) bond length is 2.11 Å. In the fourth Co site, Co(4) is bonded to one O(11), one O(12), one O(15), one O(17), one O(4), and one O(9) atom to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 64-66°. The Co(4)-O(11) bond length is 2.05 Å. The Co(4)-O(12) bond length is 2.12 Å. The Co(4)-O(15) bond length is 2.01 Å. The Co(4)-O(17) bond length is 1.95 Å. The Co(4)-O(4) bond length is 2.10 Å. The Co(4)-O(9) bond length is 2.00 Å. There are six inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(11), and one O(3) atom. The C(1)-O(1) bond length is 1.33 Å. The C(1)-O(11) bond length is 1.31 Å. The C(1)-O(3) bond length is 1.27 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(10), one O(2), and one O(9) atom. The C(2)-O(10) bond length is 1.29 Å. The C(2)-O(2) bond length is 1.29 Å. The C(2)-O(9) bond length is 1.31 Å. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(4), one O(6), and one O(7) atom. The C(3)-O(4) bond length is 1.31 Å. The C(3)-O(6) 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(12), one O(13), and one O(8) atom. The C(4)-O(12) bond length is 1.32 Å. The C(4)-O(13) bond length is 1.27 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(14), one O(15), and one O(16) atom. The C(5)-O(14) bond length is 1.25 Å. The C(5)-O(15) bond length is 1.32 Å. The C(5)-O(16) bond length is 1.33 Å. In the sixth C site, C(6) is bonded in a trigonal planar geometry to one O(17), one O(18), and one O(5) atom. The C(6)-O(17) bond length is 1.29 Å. The C(6)-O(18) bond length is 1.29 Å. The C(6)-O(5) bond length is 1.31 Å. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Co(1), and one C(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Co(1) and one C(2) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Co(2) and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(4), and one C(3) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(3), and one C(6) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Co(1) and one C(3) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(3), and one C(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(1), one Co(2), and one C(4) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Li(1), one Co(4), and one C(2) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(3), and one C(2) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Co(3), one Co(4), and one C(1) atom. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Co(1), one Co(4), and one C(4) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Li(2), one Co(3), and one C(4) atom. In the fourteenth O site, O(14) is bonded in a water-like geometry to one Co(3) and one C(5) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Li(2), one Co(4), and one C(5) atom. In the sixteenth O site, O(16) is bonded in a trigonal planar geometry to one Co(1), one Co(2), and one C(5) atom. In the seventeenth O site, O(17) is bonded in a bent 120 degrees geometry to one Co(4) and one C(6) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal planar geometry to one Li(2), one Co(2), and one C(6) atom.