Li2Mn3(SeO3)4 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(12), one O(2), one O(5), and one O(8) atom. In the second Li site, Li(2) is bonded to one O(6), one O(9), and two equivalent O(10) atoms to form LiO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 61-71°. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(3), two equivalent O(7), and two equivalent O(8) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 64°. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(11), and two equivalent O(9) atoms to form MnO6 octahedra that share corners with two equivalent Li(2)O4 tetrahedra and edges with two equivalent Mn(3)O6 octahedra. In the third Mn site, Mn(3) is bonded to one O(11), one O(2), one O(4), one O(5), one O(8), and one O(9) atom to form distorted MnO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra, and  an edgeedge with one Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles are 64°. In the fourth Mn site, Mn(4) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(2), one O(4), one O(6), and one O(7) atom. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(4), and one O(6) atom. In the second Se site, Se(2) is bonded in a trigonal non-coplanar geometry to one O(2), one O(3), and one O(5) atom. In the third Se site, Se(3) is bonded in a trigonal non-coplanar geometry to one O(12), one O(8), and one O(9) atom. In the fourth Se site, Se(4) is bonded in a trigonal non-coplanar geometry to one O(10), one O(11), and one O(7) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mn(2), one Mn(4), and one Se(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Mn(3), one Mn(4), and one Se(2) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Mn(1) and one Se(2) atom. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one Mn(3), one Mn(4), and one Se(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(3), and one Se(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(2), one Mn(4), and one Se(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(4), and one Se(4) atom. In the eighth O site, O(8) is bonded to one Li(1), one Mn(1), one Mn(3), and one Se(3) atom to form a mixture of distorted edge and corner-sharing OLiMn2Se tetrahedra. In the ninth O site, O(9) is bonded to one Li(2), one Mn(2), one Mn(3), and one Se(3) atom to form a mixture of distorted edge and corner-sharing OLiMn2Se tetrahedra. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to two equivalent Li(2), one Mn(4), and one Se(4) atom. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Mn(2), one Mn(3), and one Se(4) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one Li(1) and one Se(3) atom.
Li2Mn3(SeO3)4 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(12), one O(2), one O(5), and one O(8) atom. The Li(1)-O(12) bond length is 2.00 Å. The Li(1)-O(2) bond length is 2.28 Å. The Li(1)-O(5) bond length is 2.04 Å. The Li(1)-O(8) bond length is 2.03 Å. In the second Li site, Li(2) is bonded to one O(6), one O(9), and two equivalent O(10) atoms to form LiO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 61-71°. The Li(2)-O(6) bond length is 2.01 Å. The Li(2)-O(9) bond length is 1.98 Å. There is one shorter (1.97 Å) and one longer (2.05 Å) Li(2)-O(10) bond length. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(3), two equivalent O(7), and two equivalent O(8) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 64°. Both Mn(1)-O(3) bond lengths are 2.13 Å. Both Mn(1)-O(7) bond lengths are 2.14 Å. Both Mn(1)-O(8) bond lengths are 2.44 Å. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(11), and two equivalent O(9) atoms to form MnO6 octahedra that share corners with two equivalent Li(2)O4 tetrahedra and edges with two equivalent Mn(3)O6 octahedra. Both Mn(2)-O(1) bond lengths are 2.14 Å. Both Mn(2)-O(11) bond lengths are 2.27 Å. Both Mn(2)-O(9) bond lengths are 2.32 Å. In the third Mn site, Mn(3) is bonded to one O(11), one O(2), one O(4), one O(5), one O(8), and one O(9) atom to form distorted MnO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra, and  an edgeedge with one Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles are 64°. The Mn(3)-O(11) bond length is 2.25 Å. The Mn(3)-O(2) bond length is 2.28 Å. The Mn(3)-O(4) bond length is 2.22 Å. The Mn(3)-O(5) bond length is 2.13 Å. The Mn(3)-O(8) bond length is 2.23 Å. The Mn(3)-O(9) bond length is 2.35 Å. In the fourth Mn site, Mn(4) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(2), one O(4), one O(6), and one O(7) atom. The Mn(4)-O(1) bond length is 2.24 Å. The Mn(4)-O(10) bond length is 2.48 Å. The Mn(4)-O(2) bond length is 2.19 Å. The Mn(4)-O(4) bond length is 2.16 Å. The Mn(4)-O(6) bond length is 2.30 Å. The Mn(4)-O(7) bond length is 2.16 Å. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(4), and one O(6) atom. The Se(1)-O(1) bond length is 1.74 Å. The Se(1)-O(4) bond length is 1.74 Å. The Se(1)-O(6) bond length is 1.72 Å. In the second Se site, Se(2) is bonded in a trigonal non-coplanar geometry to one O(2), one O(3), and one O(5) atom. The Se(2)-O(2) bond length is 1.79 Å. The Se(2)-O(3) bond length is 1.71 Å. The Se(2)-O(5) bond length is 1.73 Å. In the third Se site, Se(3) is bonded in a trigonal non-coplanar geometry to one O(12), one O(8), and one O(9) atom. The Se(3)-O(12) bond length is 1.69 Å. The Se(3)-O(8) bond length is 1.78 Å. The Se(3)-O(9) bond length is 1.78 Å. In the fourth Se site, Se(4) is bonded in a trigonal non-coplanar geometry to one O(10), one O(11), and one O(7) atom. The Se(4)-O(10) bond length is 1.72 Å. The Se(4)-O(11) bond length is 1.74 Å. The Se(4)-O(7) bond length is 1.75 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mn(2), one Mn(4), and one Se(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Mn(3), one Mn(4), and one Se(2) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Mn(1) and one Se(2) atom. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one Mn(3), one Mn(4), and one Se(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(3), and one Se(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(2), one Mn(4), and one Se(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(4), and one Se(4) atom. In the eighth O site, O(8) is bonded to one Li(1), one Mn(1), one Mn(3), and one Se(3) atom to form a mixture of distorted edge and corner-sharing OLiMn2Se tetrahedra. In the ninth O site, O(9) is bonded to one Li(2), one Mn(2), one Mn(3), and one Se(3) atom to form a mixture of distorted edge and corner-sharing OLiMn2Se tetrahedra. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to two equivalent Li(2), one Mn(4), and one Se(4) atom. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Mn(2), one Mn(3), and one Se(4) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one Li(1) and one Se(3) atom.