LiMnOF2 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 5-coordinate geometry to one O(1), two equivalent F(2), and two equivalent F(3) atoms. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to two equivalent O(2), one F(1), and two equivalent F(4) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one F(1), one F(2), one F(3), and one F(4) atom. In the second Mn site, Mn(2) is bonded in a 2-coordinate geometry to one O(1), one O(2), one F(1), one F(2), one F(3), and one F(4) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one Mn(2) atom. In the second O site, O(2) is bonded to two equivalent Li(2), one Mn(1), and one Mn(2) atom to form distorted edge-sharing OLi2Mn2 tetrahedra. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 120 degrees geometry to one Li(2), one Mn(1), and one Mn(2) atom. In the second F site, F(2) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Mn(1), and one Mn(2) atom. In the third F site, F(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one Mn(1), and one Mn(2) atom. In the fourth F site, F(4) is bonded in a distorted square co-planar geometry to two equivalent Li(2), one Mn(1), and one Mn(2) atom.
LiMnOF2 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 5-coordinate geometry to one O(1), two equivalent F(2), and two equivalent F(3) atoms. The Li(1)-O(1) bond length is 1.83 Å. There is one shorter (1.82 Å) and one longer (2.09 Å) Li(1)-F(2) bond length. There is one shorter (2.29 Å) and one longer (2.46 Å) Li(1)-F(3) bond length. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to two equivalent O(2), one F(1), and two equivalent F(4) atoms. There is one shorter (1.86 Å) and one longer (2.18 Å) Li(2)-O(2) bond length. The Li(2)-F(1) bond length is 1.81 Å. There is one shorter (2.30 Å) and one longer (2.47 Å) Li(2)-F(4) bond length. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one F(1), one F(2), one F(3), and one F(4) atom. The Mn(1)-O(1) bond length is 2.18 Å. The Mn(1)-O(2) bond length is 2.25 Å. The Mn(1)-F(1) bond length is 1.68 Å. The Mn(1)-F(2) bond length is 1.64 Å. The Mn(1)-F(3) bond length is 2.29 Å. The Mn(1)-F(4) bond length is 2.38 Å. In the second Mn site, Mn(2) is bonded in a 2-coordinate geometry to one O(1), one O(2), one F(1), one F(2), one F(3), and one F(4) atom. The Mn(2)-O(1) bond length is 1.44 Å. The Mn(2)-O(2) bond length is 1.49 Å. The Mn(2)-F(1) bond length is 2.39 Å. The Mn(2)-F(2) bond length is 2.45 Å. The Mn(2)-F(3) bond length is 2.47 Å. The Mn(2)-F(4) bond length is 2.31 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one Mn(2) atom. In the second O site, O(2) is bonded to two equivalent Li(2), one Mn(1), and one Mn(2) atom to form distorted edge-sharing OLi2Mn2 tetrahedra. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 120 degrees geometry to one Li(2), one Mn(1), and one Mn(2) atom. In the second F site, F(2) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Mn(1), and one Mn(2) atom. In the third F site, F(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one Mn(1), and one Mn(2) atom. In the fourth F site, F(4) is bonded in a distorted square co-planar geometry to two equivalent Li(2), one Mn(1), and one Mn(2) atom.