LiCo2(CO3)4 crystallizes in the monoclinic P2_1 space group. Li(1) is bonded in a 5-coordinate geometry to one O(10), one O(11), one O(12), one O(6), and one O(7) atom. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a trigonal bipyramidal geometry to one O(1), one O(12), one O(5), one O(7), and one O(8) atom. In the second Co site, Co(2) is bonded in a trigonal bipyramidal geometry to one O(10), one O(11), one O(2), one O(4), and one O(9) atom. 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(3) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(4), one O(5), and one O(6) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(7), one O(8), 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(11), and one O(12) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to 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(2) and one C(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to one C(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Co(2) and one C(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Co(1) and one C(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Li(1) and one C(2) 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 bent 120 degrees geometry to one Co(1) and one C(3) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Co(2) and one C(3) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one Li(1), one Co(2), and one C(4) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(2), and one C(4) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(1), and one C(4) atom.
LiCo2(CO3)4 crystallizes in the monoclinic P2_1 space group. Li(1) is bonded in a 5-coordinate geometry to one O(10), one O(11), one O(12), one O(6), and one O(7) atom. The Li(1)-O(10) bond length is 2.55 Å. The Li(1)-O(11) bond length is 2.12 Å. The Li(1)-O(12) bond length is 2.11 Å. The Li(1)-O(6) bond length is 1.94 Å. The Li(1)-O(7) bond length is 2.09 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a trigonal bipyramidal geometry to one O(1), one O(12), one O(5), one O(7), and one O(8) atom. The Co(1)-O(1) bond length is 1.89 Å. The Co(1)-O(12) bond length is 2.06 Å. The Co(1)-O(5) bond length is 1.89 Å. The Co(1)-O(7) bond length is 1.98 Å. The Co(1)-O(8) bond length is 1.98 Å. In the second Co site, Co(2) is bonded in a trigonal bipyramidal geometry to one O(10), one O(11), one O(2), one O(4), and one O(9) atom. The Co(2)-O(10) bond length is 1.96 Å. The Co(2)-O(11) bond length is 1.98 Å. The Co(2)-O(2) bond length is 1.99 Å. The Co(2)-O(4) bond length is 1.90 Å. The Co(2)-O(9) bond length is 1.90 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(3) atom. The C(1)-O(1) bond length is 1.31 Å. The C(1)-O(2) bond length is 1.29 Å. The C(1)-O(3) bond length is 1.26 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(4), one O(5), and one O(6) atom. The C(2)-O(4) bond length is 1.31 Å. The C(2)-O(5) bond length is 1.32 Å. The C(2)-O(6) bond length is 1.25 Å. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(7), one O(8), and one O(9) atom. The C(3)-O(7) bond length is 1.30 Å. The C(3)-O(8) bond length is 1.28 Å. The C(3)-O(9) bond length is 1.30 Å. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(10), one O(11), and one O(12) atom. The C(4)-O(10) bond length is 1.29 Å. The C(4)-O(11) bond length is 1.30 Å. The C(4)-O(12) bond length is 1.28 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to 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(2) and one C(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to one C(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Co(2) and one C(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Co(1) and one C(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Li(1) and one C(2) 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 bent 120 degrees geometry to one Co(1) and one C(3) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Co(2) and one C(3) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one Li(1), one Co(2), and one C(4) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(2), and one C(4) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(1), and one C(4) atom.