LiMn2(CO4)2 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form LiO6 octahedra that share  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra, and  an edgeedge with one Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-69°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(5), one O(8), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with two equivalent Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra, and edges with three equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-63°. In the second Mn site, Mn(2) is bonded to one O(1), one O(4), one O(5), one O(6), and two equivalent O(8) atoms to form distorted MnO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, and edges with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 69°. There are two 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(5), one O(6), and one O(7) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Mn(1), one Mn(2), and one C(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Li(1) and one C(1) atom. In the fourth O site, O(4) is bonded to one Li(1), one Mn(2), and two equivalent Mn(1) atoms to form edge-sharing OLiMn3 tetrahedra. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one C(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Mn(2), and one C(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Li(1) and one C(2) atom. In the eighth O site, O(8) is bonded in a trigonal non-coplanar geometry to one Mn(1) and two equivalent Mn(2) atoms.
LiMn2(CO4)2 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form LiO6 octahedra that share  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra, and  an edgeedge with one Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-69°. The Li(1)-O(1) bond length is 2.29 Å. The Li(1)-O(2) bond length is 2.16 Å. The Li(1)-O(3) bond length is 1.96 Å. The Li(1)-O(4) bond length is 2.09 Å. The Li(1)-O(6) bond length is 2.20 Å. The Li(1)-O(7) bond length is 2.01 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(5), one O(8), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with two equivalent Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra, and edges with three equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-63°. The Mn(1)-O(1) bond length is 2.00 Å. The Mn(1)-O(2) bond length is 2.00 Å. The Mn(1)-O(5) bond length is 2.04 Å. The Mn(1)-O(8) bond length is 1.93 Å. There is one shorter (1.92 Å) and one longer (1.93 Å) Mn(1)-O(4) bond length. In the second Mn site, Mn(2) is bonded to one O(1), one O(4), one O(5), one O(6), and two equivalent O(8) atoms to form distorted MnO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, and edges with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 69°. The Mn(2)-O(1) bond length is 2.40 Å. The Mn(2)-O(4) bond length is 2.10 Å. The Mn(2)-O(5) bond length is 2.21 Å. The Mn(2)-O(6) bond length is 1.96 Å. There is one shorter (1.94 Å) and one longer (2.00 Å) Mn(2)-O(8) bond length. There are two 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 1.36 Å. The C(1)-O(2) bond length is 1.31 Å. The C(1)-O(3) bond length is 1.23 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(5), one O(6), and one O(7) atom. The C(2)-O(5) bond length is 1.35 Å. The C(2)-O(6) bond length is 1.32 Å. The C(2)-O(7) bond length is 1.23 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Mn(1), one Mn(2), and one C(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Li(1) and one C(1) atom. In the fourth O site, O(4) is bonded to one Li(1), one Mn(2), and two equivalent Mn(1) atoms to form edge-sharing OLiMn3 tetrahedra. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one C(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Mn(2), and one C(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Li(1) and one C(2) atom. In the eighth O site, O(8) is bonded in a trigonal non-coplanar geometry to one Mn(1) and two equivalent Mn(2) atoms.