Li2Mn2OF6 crystallizes in the monoclinic Cc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted see-saw-like geometry to one F(1), one F(3), one F(4), and one F(5) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(1), one F(1), one F(3), one F(4), and one F(6) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one F(1), one F(2), one F(4), one F(5), and one F(6) atom to form a mixture of edge and corner-sharing MnOF5 octahedra. The corner-sharing octahedral tilt angles are 14°. In the second Mn site, Mn(2) is bonded to one O(1), one F(2), one F(3), one F(4), one F(5), and one F(6) atom to form a mixture of edge and corner-sharing MnOF5 octahedra. The corner-sharing octahedral tilt angles are 14°. O(1) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Mn(1), and one Mn(2) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Li(1), one Li(2), and one Mn(1) atom. In the second F site, F(2) is bonded in a water-like geometry to one Mn(1) and one Mn(2) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to one Li(1), one Li(2), and one Mn(2) atom. In the fourth F site, F(4) is bonded in a distorted tetrahedral geometry to one Li(1), one Li(2), one Mn(1), and one Mn(2) atom. In the fifth F site, F(5) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one Mn(2) atom. In the sixth F site, F(6) is bonded in a distorted T-shaped geometry to one Li(2), one Mn(1), and one Mn(2) atom.
Li2Mn2OF6 crystallizes in the monoclinic Cc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted see-saw-like geometry to one F(1), one F(3), one F(4), and one F(5) atom. The Li(1)-F(1) bond length is 1.92 Å. The Li(1)-F(3) bond length is 1.92 Å. The Li(1)-F(4) bond length is 2.04 Å. The Li(1)-F(5) bond length is 1.90 Å. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(1), one F(1), one F(3), one F(4), and one F(6) atom. The Li(2)-O(1) bond length is 2.01 Å. The Li(2)-F(1) bond length is 1.95 Å. The Li(2)-F(3) bond length is 1.88 Å. The Li(2)-F(4) bond length is 2.23 Å. The Li(2)-F(6) bond length is 2.52 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one F(1), one F(2), one F(4), one F(5), and one F(6) atom to form a mixture of edge and corner-sharing MnOF5 octahedra. The corner-sharing octahedral tilt angles are 14°. The Mn(1)-O(1) bond length is 1.84 Å. The Mn(1)-F(1) bond length is 1.92 Å. The Mn(1)-F(2) bond length is 1.95 Å. The Mn(1)-F(4) bond length is 2.00 Å. The Mn(1)-F(5) bond length is 2.20 Å. The Mn(1)-F(6) bond length is 2.15 Å. In the second Mn site, Mn(2) is bonded to one O(1), one F(2), one F(3), one F(4), one F(5), and one F(6) atom to form a mixture of edge and corner-sharing MnOF5 octahedra. The corner-sharing octahedral tilt angles are 14°. The Mn(2)-O(1) bond length is 1.86 Å. The Mn(2)-F(2) bond length is 2.03 Å. The Mn(2)-F(3) bond length is 1.96 Å. The Mn(2)-F(4) bond length is 2.30 Å. The Mn(2)-F(5) bond length is 2.07 Å. The Mn(2)-F(6) bond length is 1.91 Å. O(1) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Mn(1), and one Mn(2) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Li(1), one Li(2), and one Mn(1) atom. In the second F site, F(2) is bonded in a water-like geometry to one Mn(1) and one Mn(2) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to one Li(1), one Li(2), and one Mn(2) atom. In the fourth F site, F(4) is bonded in a distorted tetrahedral geometry to one Li(1), one Li(2), one Mn(1), and one Mn(2) atom. In the fifth F site, F(5) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one Mn(2) atom. In the sixth F site, F(6) is bonded in a distorted T-shaped geometry to one Li(2), one Mn(1), and one Mn(2) atom.