LiMnOF2 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one F(3), one F(4), and two equivalent F(2) atoms to form distorted LiOF4 trigonal bipyramids that share corners with two equivalent Li(1)OF4 trigonal bipyramids, corners with two equivalent Li(2)OF4 trigonal bipyramids, corners with two equivalent Mn(1)O3F2 trigonal bipyramids, corners with three equivalent Mn(2)O3F2 trigonal bipyramids, and  an edgeedge with one Mn(1)O3F2 trigonal bipyramid. In the second Li site, Li(2) is bonded to one O(1), one F(3), one F(4), and two equivalent F(1) atoms to form distorted LiOF4 trigonal bipyramids that share corners with two equivalent Li(1)OF4 trigonal bipyramids, corners with two equivalent Li(2)OF4 trigonal bipyramids, corners with two equivalent Mn(2)O3F2 trigonal bipyramids, corners with three equivalent Mn(1)O3F2 trigonal bipyramids, and  an edgeedge with one Mn(2)O3F2 trigonal bipyramid. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to three equivalent O(2), one F(1), and one F(3) atom to form MnO3F2 trigonal bipyramids that share corners with two equivalent Li(1)OF4 trigonal bipyramids, corners with two equivalent Mn(1)O3F2 trigonal bipyramids, corners with three equivalent Li(2)OF4 trigonal bipyramids,  an edgeedge with one Li(1)OF4 trigonal bipyramid, and edges with two equivalent Mn(1)O3F2 trigonal bipyramids. In the second Mn site, Mn(2) is bonded to three equivalent O(1), one F(2), and one F(4) atom to form MnO3F2 trigonal bipyramids that share corners with two equivalent Li(2)OF4 trigonal bipyramids, corners with two equivalent Mn(2)O3F2 trigonal bipyramids, corners with three equivalent Li(1)OF4 trigonal bipyramids,  an edgeedge with one Li(2)OF4 trigonal bipyramid, and edges with two equivalent Mn(2)O3F2 trigonal bipyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(2) and three equivalent Mn(2) atoms to form a mixture of corner and edge-sharing OLiMn3 trigonal pyramids. In the second O site, O(2) is bonded to one Li(1) and three equivalent Mn(1) atoms to form a mixture of corner and edge-sharing OLiMn3 trigonal pyramids. There are four inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to two equivalent Li(2) and one Mn(1) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to two equivalent Li(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(1) atom. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Li(1), one Li(2), and one Mn(2) atom.
LiMnOF2 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one F(3), one F(4), and two equivalent F(2) atoms to form distorted LiOF4 trigonal bipyramids that share corners with two equivalent Li(1)OF4 trigonal bipyramids, corners with two equivalent Li(2)OF4 trigonal bipyramids, corners with two equivalent Mn(1)O3F2 trigonal bipyramids, corners with three equivalent Mn(2)O3F2 trigonal bipyramids, and  an edgeedge with one Mn(1)O3F2 trigonal bipyramid. The Li(1)-O(2) bond length is 2.41 Å. The Li(1)-F(3) bond length is 2.00 Å. The Li(1)-F(4) bond length is 1.92 Å. Both Li(1)-F(2) bond lengths are 2.05 Å. In the second Li site, Li(2) is bonded to one O(1), one F(3), one F(4), and two equivalent F(1) atoms to form distorted LiOF4 trigonal bipyramids that share corners with two equivalent Li(1)OF4 trigonal bipyramids, corners with two equivalent Li(2)OF4 trigonal bipyramids, corners with two equivalent Mn(2)O3F2 trigonal bipyramids, corners with three equivalent Mn(1)O3F2 trigonal bipyramids, and  an edgeedge with one Mn(2)O3F2 trigonal bipyramid. The Li(2)-O(1) bond length is 2.38 Å. The Li(2)-F(3) bond length is 1.93 Å. The Li(2)-F(4) bond length is 2.01 Å. Both Li(2)-F(1) bond lengths are 2.05 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to three equivalent O(2), one F(1), and one F(3) atom to form MnO3F2 trigonal bipyramids that share corners with two equivalent Li(1)OF4 trigonal bipyramids, corners with two equivalent Mn(1)O3F2 trigonal bipyramids, corners with three equivalent Li(2)OF4 trigonal bipyramids,  an edgeedge with one Li(1)OF4 trigonal bipyramid, and edges with two equivalent Mn(1)O3F2 trigonal bipyramids. All Mn(1)-O(2) bond lengths are 1.95 Å. The Mn(1)-F(1) bond length is 1.90 Å. The Mn(1)-F(3) bond length is 2.02 Å. In the second Mn site, Mn(2) is bonded to three equivalent O(1), one F(2), and one F(4) atom to form MnO3F2 trigonal bipyramids that share corners with two equivalent Li(2)OF4 trigonal bipyramids, corners with two equivalent Mn(2)O3F2 trigonal bipyramids, corners with three equivalent Li(1)OF4 trigonal bipyramids,  an edgeedge with one Li(2)OF4 trigonal bipyramid, and edges with two equivalent Mn(2)O3F2 trigonal bipyramids. All Mn(2)-O(1) bond lengths are 1.95 Å. The Mn(2)-F(2) bond length is 1.90 Å. The Mn(2)-F(4) bond length is 2.02 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(2) and three equivalent Mn(2) atoms to form a mixture of corner and edge-sharing OLiMn3 trigonal pyramids. In the second O site, O(2) is bonded to one Li(1) and three equivalent Mn(1) atoms to form a mixture of corner and edge-sharing OLiMn3 trigonal pyramids. There are four inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to two equivalent Li(2) and one Mn(1) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to two equivalent Li(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(1) atom. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Li(1), one Li(2), and one Mn(2) atom.