LiMn2(CO3)4 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 5-coordinate geometry to one O(10), one O(12), one O(3), one O(5), and one O(8) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in an octahedral geometry to one O(1), one O(11), one O(12), one O(2), one O(4), and one O(9) atom. In the second Mn site, Mn(2) is bonded in a distorted octahedral geometry to one O(10), one O(3), one O(5), one O(6), one O(7), and one O(8) 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 an L-shaped geometry to one Mn(1) and one C(1) atom. In the second O site, O(2) is bonded in an L-shaped geometry to one Mn(1) and one C(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(2), and one C(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Mn(1) and one C(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Mn(2), and one C(2) atom. In the sixth O site, O(6) is bonded in an L-shaped geometry to one Mn(2) and one C(2) atom. In the seventh O site, O(7) is bonded in an L-shaped geometry to one Mn(2) and one C(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(1), one Mn(2), and one C(3) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Mn(1) and one C(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(2), and one C(4) atom. In the eleventh O site, O(11) is bonded in an L-shaped geometry to one Mn(1) and one C(4) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one C(4) atom.
LiMn2(CO3)4 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 5-coordinate geometry to one O(10), one O(12), one O(3), one O(5), and one O(8) atom. The Li(1)-O(10) bond length is 2.02 Å. The Li(1)-O(12) bond length is 2.01 Å. The Li(1)-O(3) bond length is 2.26 Å. The Li(1)-O(5) bond length is 2.53 Å. The Li(1)-O(8) bond length is 2.19 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in an octahedral geometry to one O(1), one O(11), one O(12), one O(2), one O(4), and one O(9) atom. The Mn(1)-O(1) bond length is 1.96 Å. The Mn(1)-O(11) bond length is 1.98 Å. The Mn(1)-O(12) bond length is 2.03 Å. The Mn(1)-O(2) bond length is 1.99 Å. The Mn(1)-O(4) bond length is 1.93 Å. The Mn(1)-O(9) bond length is 1.93 Å. In the second Mn site, Mn(2) is bonded in a distorted octahedral geometry to one O(10), one O(3), one O(5), one O(6), one O(7), and one O(8) atom. The Mn(2)-O(10) bond length is 2.27 Å. The Mn(2)-O(3) bond length is 2.17 Å. The Mn(2)-O(5) bond length is 2.08 Å. The Mn(2)-O(6) bond length is 1.98 Å. The Mn(2)-O(7) bond length is 1.98 Å. The Mn(2)-O(8) bond length is 2.09 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 1.32 Å. The C(1)-O(2) bond length is 1.30 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(4), one O(5), and one O(6) atom. The C(2)-O(4) bond length is 1.28 Å. The C(2)-O(5) 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(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 1.30 Å. The C(3)-O(9) bond length is 1.28 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 1.26 Å. The C(4)-O(11) bond length is 1.30 Å. The C(4)-O(12) bond length is 1.33 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in an L-shaped geometry to one Mn(1) and one C(1) atom. In the second O site, O(2) is bonded in an L-shaped geometry to one Mn(1) and one C(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(2), and one C(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Mn(1) and one C(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Mn(2), and one C(2) atom. In the sixth O site, O(6) is bonded in an L-shaped geometry to one Mn(2) and one C(2) atom. In the seventh O site, O(7) is bonded in an L-shaped geometry to one Mn(2) and one C(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(1), one Mn(2), and one C(3) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Mn(1) and one C(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(2), and one C(4) atom. In the eleventh O site, O(11) is bonded in an L-shaped geometry to one Mn(1) and one C(4) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one C(4) atom.