LiMn2TeO6 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(10), one O(3), one O(5), one O(6), one O(7), and one O(8) atom. In the second Li site, Li(2) is bonded in a rectangular see-saw-like geometry to one O(1), one O(11), one O(7), and one O(9) atom. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(10), one O(12), one O(3), one O(4), one O(6), and one O(8) atom to form MnO6 octahedra that share corners with two equivalent Te(2)O6 octahedra, corners with two equivalent Mn(2)O6 pentagonal pyramids, and edges with two equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. In the second Mn site, Mn(2) is bonded to one O(1), one O(11), one O(12), one O(2), one O(4), and one O(9) atom to form distorted MnO6 pentagonal pyramids that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent Te(1)O6 octahedra,  an edgeedge with one Te(2)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-64°. In the third Mn site, Mn(3) is bonded in a 5-coordinate geometry to one O(10), one O(3), one O(5), one O(6), and one O(8) atom. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(11), one O(2), one O(5), one O(7), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent Te(1)O6 octahedra, edges with two equivalent Te(2)O6 octahedra, and edges with two equivalent Mn(2)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 46-52°. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one O(11), one O(12), one O(2), one O(3), one O(4), and one O(8) atom to form TeO6 octahedra that share corners with two equivalent Mn(4)O6 octahedra, corners with four equivalent Mn(2)O6 pentagonal pyramids, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-52°. In the second Te site, Te(2) is bonded to one O(1), one O(10), one O(5), one O(6), one O(7), and one O(9) atom to form TeO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, and  an edgeedge with one Mn(2)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 49-52°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Mn(2), one Mn(4), and one Te(2) atom to form distorted corner-sharing OLiMn2Te tetrahedra. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(4), and one Te(1) atom. In the third O site, O(3) is bonded to one Li(1), one Mn(1), one Mn(3), and one Te(1) atom to form a mixture of distorted corner and edge-sharing OLiMn2Te tetrahedra. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Te(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), one Mn(3), one Mn(4), and one Te(2) atom. In the sixth O site, O(6) is bonded to one Li(1), one Mn(1), one Mn(3), and one Te(2) atom to form a mixture of distorted corner and edge-sharing OLiMn2Te trigonal pyramids. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Mn(4), and one Te(2) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(1), one Mn(1), one Mn(3), and one Te(1) atom. In the ninth O site, O(9) is bonded in a distorted see-saw-like geometry to one Li(2), one Mn(2), one Mn(4), and one Te(2) atom. In the tenth O site, O(10) is bonded to one Li(1), one Mn(1), one Mn(3), and one Te(2) atom to form a mixture of distorted corner and edge-sharing OLiMn2Te trigonal pyramids. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(2), one Mn(2), one Mn(4), and one Te(1) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one Te(1) atom.
LiMn2TeO6 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(10), one O(3), one O(5), one O(6), one O(7), and one O(8) atom. The Li(1)-O(10) bond length is 2.30 Å. The Li(1)-O(3) bond length is 2.43 Å. The Li(1)-O(5) bond length is 1.95 Å. The Li(1)-O(6) bond length is 2.33 Å. The Li(1)-O(7) bond length is 1.97 Å. The Li(1)-O(8) bond length is 2.58 Å. In the second Li site, Li(2) is bonded in a rectangular see-saw-like geometry to one O(1), one O(11), one O(7), and one O(9) atom. The Li(2)-O(1) bond length is 1.88 Å. The Li(2)-O(11) bond length is 1.97 Å. The Li(2)-O(7) bond length is 2.14 Å. The Li(2)-O(9) bond length is 1.98 Å. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(10), one O(12), one O(3), one O(4), one O(6), and one O(8) atom to form MnO6 octahedra that share corners with two equivalent Te(2)O6 octahedra, corners with two equivalent Mn(2)O6 pentagonal pyramids, and edges with two equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. The Mn(1)-O(10) bond length is 2.27 Å. The Mn(1)-O(12) bond length is 2.26 Å. The Mn(1)-O(3) bond length is 1.94 Å. The Mn(1)-O(4) bond length is 2.00 Å. The Mn(1)-O(6) bond length is 2.03 Å. The Mn(1)-O(8) bond length is 1.97 Å. In the second Mn site, Mn(2) is bonded to one O(1), one O(11), one O(12), one O(2), one O(4), and one O(9) atom to form distorted MnO6 pentagonal pyramids that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent Te(1)O6 octahedra,  an edgeedge with one Te(2)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-64°. The Mn(2)-O(1) bond length is 2.42 Å. The Mn(2)-O(11) bond length is 2.24 Å. The Mn(2)-O(12) bond length is 2.11 Å. The Mn(2)-O(2) bond length is 2.23 Å. The Mn(2)-O(4) bond length is 2.10 Å. The Mn(2)-O(9) bond length is 2.32 Å. In the third Mn site, Mn(3) is bonded in a 5-coordinate geometry to one O(10), one O(3), one O(5), one O(6), and one O(8) atom. The Mn(3)-O(10) bond length is 2.19 Å. The Mn(3)-O(3) bond length is 2.07 Å. The Mn(3)-O(5) bond length is 2.33 Å. The Mn(3)-O(6) bond length is 2.20 Å. The Mn(3)-O(8) bond length is 2.06 Å. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(11), one O(2), one O(5), one O(7), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent Te(1)O6 octahedra, edges with two equivalent Te(2)O6 octahedra, and edges with two equivalent Mn(2)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 46-52°. The Mn(4)-O(1) bond length is 1.93 Å. The Mn(4)-O(11) bond length is 2.30 Å. The Mn(4)-O(2) bond length is 2.01 Å. The Mn(4)-O(5) bond length is 2.25 Å. The Mn(4)-O(7) bond length is 2.04 Å. The Mn(4)-O(9) bond length is 1.96 Å. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one O(11), one O(12), one O(2), one O(3), one O(4), and one O(8) atom to form TeO6 octahedra that share corners with two equivalent Mn(4)O6 octahedra, corners with four equivalent Mn(2)O6 pentagonal pyramids, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-52°. The Te(1)-O(11) bond length is 1.93 Å. The Te(1)-O(12) bond length is 1.91 Å. The Te(1)-O(2) bond length is 1.95 Å. The Te(1)-O(3) bond length is 2.02 Å. The Te(1)-O(4) bond length is 1.97 Å. The Te(1)-O(8) bond length is 2.01 Å. In the second Te site, Te(2) is bonded to one O(1), one O(10), one O(5), one O(6), one O(7), and one O(9) atom to form TeO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, and  an edgeedge with one Mn(2)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 49-52°. The Te(2)-O(1) bond length is 2.01 Å. The Te(2)-O(10) bond length is 1.92 Å. The Te(2)-O(5) bond length is 1.91 Å. The Te(2)-O(6) bond length is 1.97 Å. The Te(2)-O(7) bond length is 1.96 Å. The Te(2)-O(9) bond length is 2.01 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Mn(2), one Mn(4), and one Te(2) atom to form distorted corner-sharing OLiMn2Te tetrahedra. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(4), and one Te(1) atom. In the third O site, O(3) is bonded to one Li(1), one Mn(1), one Mn(3), and one Te(1) atom to form a mixture of distorted corner and edge-sharing OLiMn2Te tetrahedra. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Te(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), one Mn(3), one Mn(4), and one Te(2) atom. In the sixth O site, O(6) is bonded to one Li(1), one Mn(1), one Mn(3), and one Te(2) atom to form a mixture of distorted corner and edge-sharing OLiMn2Te trigonal pyramids. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Mn(4), and one Te(2) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(1), one Mn(1), one Mn(3), and one Te(1) atom. In the ninth O site, O(9) is bonded in a distorted see-saw-like geometry to one Li(2), one Mn(2), one Mn(4), and one Te(2) atom. In the tenth O site, O(10) is bonded to one Li(1), one Mn(1), one Mn(3), and one Te(2) atom to form a mixture of distorted corner and edge-sharing OLiMn2Te trigonal pyramids. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(2), one Mn(2), one Mn(4), and one Te(1) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one Te(1) atom.