LiMn3(O2F)2 is Ilmenite-derived structured and crystallizes in the triclinic P1 space group. Li(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one F(1), and one F(2) atom. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one F(1), and one F(2) atom to form distorted edge-sharing MnO4F2 octahedra. In the second Mn site, Mn(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one F(1), and one F(2) atom. In the third Mn site, Mn(3) is bonded to one O(1), one O(2), one O(3), one O(4), one F(1), and one F(2) atom to form edge-sharing MnO4F2 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), one Mn(1), one Mn(2), and one Mn(3) atom. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Li(1), one Mn(1), one Mn(2), and one Mn(3) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one Mn(1), one Mn(2), and one Mn(3) atom. In the fourth O site, O(4) is bonded in a distorted trigonal pyramidal geometry to one Li(1), one Mn(1), one Mn(2), and one Mn(3) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to one Li(1), one Mn(1), one Mn(2), and one Mn(3) atom. In the second F site, F(2) is bonded in a 4-coordinate geometry to one Li(1), one Mn(1), one Mn(2), and one Mn(3) atom.
LiMn3(O2F)2 is Ilmenite-derived structured and crystallizes in the triclinic P1 space group. Li(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one F(1), and one F(2) atom. The Li(1)-O(1) bond length is 2.53 Å. The Li(1)-O(2) bond length is 2.04 Å. The Li(1)-O(3) bond length is 2.47 Å. The Li(1)-O(4) bond length is 2.14 Å. The Li(1)-F(1) bond length is 2.00 Å. The Li(1)-F(2) bond length is 1.99 Å. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one F(1), and one F(2) atom to form distorted edge-sharing MnO4F2 octahedra. The Mn(1)-O(1) bond length is 2.08 Å. The Mn(1)-O(2) bond length is 2.00 Å. The Mn(1)-O(3) bond length is 1.91 Å. The Mn(1)-O(4) bond length is 1.93 Å. The Mn(1)-F(1) bond length is 2.39 Å. The Mn(1)-F(2) bond length is 2.09 Å. In the second Mn site, Mn(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one F(1), and one F(2) atom. The Mn(2)-O(1) bond length is 1.93 Å. The Mn(2)-O(2) bond length is 2.02 Å. The Mn(2)-O(3) bond length is 2.11 Å. The Mn(2)-O(4) bond length is 1.92 Å. The Mn(2)-F(1) bond length is 2.09 Å. The Mn(2)-F(2) bond length is 2.54 Å. In the third Mn site, Mn(3) is bonded to one O(1), one O(2), one O(3), one O(4), one F(1), and one F(2) atom to form edge-sharing MnO4F2 octahedra. The Mn(3)-O(1) bond length is 1.91 Å. The Mn(3)-O(2) bond length is 1.96 Å. The Mn(3)-O(3) bond length is 1.98 Å. The Mn(3)-O(4) bond length is 2.10 Å. The Mn(3)-F(1) bond length is 2.19 Å. The Mn(3)-F(2) bond length is 2.11 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), one Mn(1), one Mn(2), and one Mn(3) atom. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Li(1), one Mn(1), one Mn(2), and one Mn(3) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one Mn(1), one Mn(2), and one Mn(3) atom. In the fourth O site, O(4) is bonded in a distorted trigonal pyramidal geometry to one Li(1), one Mn(1), one Mn(2), and one Mn(3) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to one Li(1), one Mn(1), one Mn(2), and one Mn(3) atom. In the second F site, F(2) is bonded in a 4-coordinate geometry to one Li(1), one Mn(1), one Mn(2), and one Mn(3) atom.