Li2Mn(CO3)2 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a trigonal planar geometry to one O(1), one O(10), and one O(3) atom. In the second Li site, Li(2) is bonded in a distorted trigonal planar geometry to one O(11), one O(2), one O(4), and one O(5) atom. In the third Li site, Li(3) is bonded in a distorted trigonal planar geometry to one O(11), one O(2), one O(8), and one O(9) atom. In the fourth Li site, Li(4) is bonded to one O(10), one O(12), one O(6), and one O(7) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, and  an edgeedge with one Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-80°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(11), one O(12), one O(2), one O(5), and one O(9) atom to form distorted MnO6 octahedra that share  a cornercorner with one Li(4)O4 trigonal pyramid. In the second Mn site, Mn(2) is bonded to one O(10), one O(3), one O(4), one O(6), one O(7), and one O(8) atom to form distorted MnO6 octahedra that share  a cornercorner with one Li(4)O4 trigonal pyramid and  an edgeedge with one Li(4)O4 trigonal pyramid. 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(7) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(6), 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 3-coordinate geometry to one Li(1), one Mn(1), and one C(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Mn(1), and one C(1) atom. In the third O site, O(3) is bonded in a 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 3-coordinate geometry to one Li(2), one Mn(2), and one C(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Mn(1), and one C(2) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Li(4), one Mn(2), and one C(3) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Li(4), one Mn(2), and one C(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(3), one Mn(2), and one C(3) atom. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Li(3), one Mn(1), and one C(3) atom. In the tenth O site, O(10) is bonded in a distorted tetrahedral geometry to one Li(1), one Li(4), one Mn(2), 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 Mn(1), and one C(4) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(4), one Mn(1), and one C(4) atom.
Li2Mn(CO3)2 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a trigonal planar geometry to one O(1), one O(10), and one O(3) atom. The Li(1)-O(1) bond length is 1.92 Å. The Li(1)-O(10) bond length is 2.06 Å. The Li(1)-O(3) bond length is 1.97 Å. In the second Li site, Li(2) is bonded in a distorted trigonal planar geometry to one O(11), one O(2), one O(4), and one O(5) atom. The Li(2)-O(11) bond length is 2.61 Å. The Li(2)-O(2) bond length is 1.99 Å. The Li(2)-O(4) bond length is 1.95 Å. The Li(2)-O(5) bond length is 1.95 Å. In the third Li site, Li(3) is bonded in a distorted trigonal planar geometry to one O(11), one O(2), one O(8), and one O(9) atom. The Li(3)-O(11) bond length is 2.00 Å. The Li(3)-O(2) bond length is 2.53 Å. The Li(3)-O(8) bond length is 1.93 Å. The Li(3)-O(9) bond length is 1.94 Å. In the fourth Li site, Li(4) is bonded to one O(10), one O(12), one O(6), and one O(7) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, and  an edgeedge with one Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-80°. The Li(4)-O(10) bond length is 2.02 Å. The Li(4)-O(12) bond length is 1.96 Å. The Li(4)-O(6) bond length is 1.99 Å. The Li(4)-O(7) bond length is 2.06 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(11), one O(12), one O(2), one O(5), and one O(9) atom to form distorted MnO6 octahedra that share  a cornercorner with one Li(4)O4 trigonal pyramid. The Mn(1)-O(1) bond length is 2.27 Å. The Mn(1)-O(11) bond length is 2.32 Å. The Mn(1)-O(12) bond length is 2.21 Å. The Mn(1)-O(2) bond length is 2.24 Å. The Mn(1)-O(5) bond length is 2.15 Å. The Mn(1)-O(9) bond length is 2.16 Å. In the second Mn site, Mn(2) is bonded to one O(10), one O(3), one O(4), one O(6), one O(7), and one O(8) atom to form distorted MnO6 octahedra that share  a cornercorner with one Li(4)O4 trigonal pyramid and  an edgeedge with one Li(4)O4 trigonal pyramid. The Mn(2)-O(10) bond length is 2.35 Å. The Mn(2)-O(3) bond length is 2.16 Å. The Mn(2)-O(4) bond length is 2.24 Å. The Mn(2)-O(6) bond length is 2.22 Å. The Mn(2)-O(7) bond length is 2.21 Å. The Mn(2)-O(8) bond length is 2.24 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 1.29 Å. The C(1)-O(2) bond length is 1.31 Å. The C(1)-O(3) bond length is 1.30 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(7) atom. The C(2)-O(4) bond length is 1.30 Å. The C(2)-O(5) bond length is 1.29 Å. The C(2)-O(7) bond length is 1.30 Å. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(6), one O(8), and one O(9) atom. The C(3)-O(6) bond length is 1.29 Å. The C(3)-O(8) bond length is 1.31 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 1.31 Å. The C(4)-O(11) bond length is 1.30 Å. The C(4)-O(12) bond length is 1.30 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one C(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Mn(1), and one C(1) atom. In the third O site, O(3) is bonded in a 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 3-coordinate geometry to one Li(2), one Mn(2), and one C(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Mn(1), and one C(2) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Li(4), one Mn(2), and one C(3) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Li(4), one Mn(2), and one C(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(3), one Mn(2), and one C(3) atom. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Li(3), one Mn(1), and one C(3) atom. In the tenth O site, O(10) is bonded in a distorted tetrahedral geometry to one Li(1), one Li(4), one Mn(2), 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 Mn(1), and one C(4) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(4), one Mn(1), and one C(4) atom.