Li7Mn(O2F)2 crystallizes in the triclinic P1 space group. There are fourteen inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), one F(1), and one F(3) atom to form LiO2F2 trigonal pyramids that share  a cornercorner with one Li(10)O3F tetrahedra, corners with two equivalent Li(3)O3F tetrahedra,  a cornercorner with one Li(9)O3F trigonal pyramid, corners with two equivalent Li(8)O2F2 trigonal pyramids,  an edgeedge with one Li(5)O3F tetrahedra, and  an edgeedge with one Li(12)OF3 trigonal pyramid. In the second Li site, Li(2) is bonded to one O(2), one O(4), one O(5), and one F(4) atom to form LiO3F tetrahedra that share  a cornercorner with one Li(3)O3F tetrahedra, corners with two equivalent Li(10)O3F tetrahedra,  a cornercorner with one Li(8)O2F2 trigonal pyramid, corners with two equivalent Li(9)O3F trigonal pyramids,  an edgeedge with one Li(13)O3F tetrahedra,  an edgeedge with one Li(6)O3F tetrahedra, and  an edgeedge with one Li(11)O4 tetrahedra. In the third Li site, Li(3) is bonded to one O(1), one O(4), one O(6), and one F(3) atom to form distorted LiO3F tetrahedra that share  a cornercorner with one Li(2)O3F tetrahedra,  a cornercorner with one Li(8)O2F2 trigonal pyramid, corners with two equivalent Li(1)O2F2 trigonal pyramids, corners with two equivalent Li(9)O3F trigonal pyramids,  an edgeedge with one Li(5)O3F tetrahedra,  an edgeedge with one Li(11)O4 tetrahedra, and  an edgeedge with one Li(12)OF3 trigonal pyramid. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one O(3), one O(7), one F(1), and one F(2) atom. In the fifth Li site, Li(5) is bonded to one O(1), one O(6), one O(8), and one F(1) atom to form distorted LiO3F tetrahedra that share  a cornercorner with one Li(13)O3F tetrahedra, corners with two equivalent Li(11)O4 tetrahedra, corners with two equivalent Li(12)OF3 trigonal pyramids,  an edgeedge with one Li(3)O3F tetrahedra,  an edgeedge with one Li(1)O2F2 trigonal pyramid, and  an edgeedge with one Li(9)O3F trigonal pyramid. In the sixth Li site, Li(6) is bonded to one O(2), one O(5), one O(7), and one F(2) atom to form distorted LiO3F tetrahedra that share  a cornercorner with one Li(11)O4 tetrahedra, corners with two equivalent Li(13)O3F tetrahedra,  a cornercorner with one Li(12)OF3 trigonal pyramid,  an edgeedge with one Li(10)O3F tetrahedra,  an edgeedge with one Li(2)O3F tetrahedra, and  an edgeedge with one Li(8)O2F2 trigonal pyramid. In the seventh Li site, Li(7) is bonded in a 3-coordinate geometry to one O(2), one O(4), one O(5), one O(8), and one F(4) atom. In the eighth Li site, Li(8) is bonded to one O(3), one O(5), one F(2), and one F(3) atom to form LiO2F2 trigonal pyramids that share  a cornercorner with one Li(2)O3F tetrahedra,  a cornercorner with one Li(3)O3F tetrahedra, corners with two equivalent Li(10)O3F tetrahedra, corners with two equivalent Li(1)O2F2 trigonal pyramids,  an edgeedge with one Li(6)O3F tetrahedra, and  an edgeedge with one Li(12)OF3 trigonal pyramid. In the ninth Li site, Li(9) is bonded to one O(1), one O(4), one O(8), and one F(4) atom to form distorted LiO3F trigonal pyramids that share  a cornercorner with one Li(10)O3F tetrahedra, corners with two equivalent Li(2)O3F tetrahedra, corners with two equivalent Li(3)O3F tetrahedra,  a cornercorner with one Li(1)O2F2 trigonal pyramid,  an edgeedge with one Li(13)O3F tetrahedra,  an edgeedge with one Li(5)O3F tetrahedra, and  an edgeedge with one Li(11)O4 tetrahedra. In the tenth Li site, Li(10) is bonded to one O(3), one O(5), one O(7), and one F(4) atom to form LiO3F tetrahedra that share corners with two equivalent Li(2)O3F tetrahedra,  a cornercorner with one Li(1)O2F2 trigonal pyramid,  a cornercorner with one Li(9)O3F trigonal pyramid, corners with two equivalent Li(8)O2F2 trigonal pyramids,  an edgeedge with one Li(13)O3F tetrahedra, and  an edgeedge with one Li(6)O3F tetrahedra. In the eleventh Li site, Li(11) is bonded to one O(2), one O(4), one O(6), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(6)O3F tetrahedra, corners with two equivalent Li(13)O3F tetrahedra, corners with two equivalent Li(5)O3F tetrahedra,  a cornercorner with one Li(12)OF3 trigonal pyramid,  an edgeedge with one Li(2)O3F tetrahedra,  an edgeedge with one Li(3)O3F tetrahedra, and  an edgeedge with one Li(9)O3F trigonal pyramid. In the twelfth Li site, Li(12) is bonded to one O(6), one F(1), one F(2), and one F(3) atom to form distorted LiOF3 trigonal pyramids that share  a cornercorner with one Li(6)O3F tetrahedra,  a cornercorner with one Li(11)O4 tetrahedra, corners with two equivalent Li(5)O3F tetrahedra,  an edgeedge with one Li(3)O3F tetrahedra,  an edgeedge with one Li(1)O2F2 trigonal pyramid, and  an edgeedge with one Li(8)O2F2 trigonal pyramid. In the thirteenth Li site, Li(13) is bonded to one O(2), one O(7), one O(8), and one F(4) atom to form LiO3F tetrahedra that share  a cornercorner with one Li(5)O3F tetrahedra, corners with two equivalent Li(6)O3F tetrahedra, corners with two equivalent Li(11)O4 tetrahedra,  an edgeedge with one Li(10)O3F tetrahedra,  an edgeedge with one Li(2)O3F tetrahedra, and  an edgeedge with one Li(9)O3F trigonal pyramid. In the fourteenth Li site, Li(14) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(5), one O(7), one O(8), and one F(4) atom. 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(4), one O(6), one O(8), one F(1), and one F(4) atom. In the second Mn site, Mn(2) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(5), one O(7), and one F(2) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Li(1), one Li(3), one Li(5), one Li(9), and one Mn(1) atom. In the second O site, O(2) is bonded in a 7-coordinate geometry to one Li(11), one Li(13), one Li(14), one Li(2), one Li(6), one Li(7), and one Mn(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Li(1), one Li(10), one Li(14), one Li(4), one Li(8), and one Mn(2) atom. In the fourth O site, O(4) is bonded to one Li(11), one Li(2), one Li(3), one Li(7), one Li(9), and one Mn(1) atom to form distorted OLi5Mn pentagonal pyramids that share  a cornercorner with one F(3)Li4 trigonal pyramid. In the fifth O site, O(5) is bonded in a 7-coordinate geometry to one Li(10), one Li(14), one Li(2), one Li(6), one Li(7), one Li(8), and one Mn(2) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Li(11), one Li(12), one Li(3), one Li(5), and one Mn(1) atom. In the seventh O site, O(7) is bonded in a distorted pentagonal pyramidal geometry to one Li(10), one Li(13), one Li(14), one Li(4), one Li(6), and one Mn(2) atom. In the eighth O site, O(8) is bonded in a 7-coordinate geometry to one Li(11), one Li(13), one Li(14), one Li(5), one Li(7), one Li(9), and one Mn(1) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a 5-coordinate geometry to one Li(1), one Li(12), one Li(4), one Li(5), and one Mn(1) atom. In the second F site, F(2) is bonded in a 5-coordinate geometry to one Li(12), one Li(4), one Li(6), one Li(8), and one Mn(2) atom. In the third F site, F(3) is bonded to one Li(1), one Li(12), one Li(3), and one Li(8) atom to form distorted FLi4 trigonal pyramids that share  a cornercorner with one O(4)Li5Mn pentagonal pyramid. In the fourth F site, F(4) is bonded in a 7-coordinate geometry to one Li(10), one Li(13), one Li(14), one Li(2), one Li(7), one Li(9), and one Mn(1) atom.
Li7Mn(O2F)2 crystallizes in the triclinic P1 space group. There are fourteen inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), one F(1), and one F(3) atom to form LiO2F2 trigonal pyramids that share  a cornercorner with one Li(10)O3F tetrahedra, corners with two equivalent Li(3)O3F tetrahedra,  a cornercorner with one Li(9)O3F trigonal pyramid, corners with two equivalent Li(8)O2F2 trigonal pyramids,  an edgeedge with one Li(5)O3F tetrahedra, and  an edgeedge with one Li(12)OF3 trigonal pyramid. The Li(1)-O(1) bond length is 1.94 Å. The Li(1)-O(3) bond length is 2.03 Å. The Li(1)-F(1) bond length is 2.19 Å. The Li(1)-F(3) bond length is 1.97 Å. In the second Li site, Li(2) is bonded to one O(2), one O(4), one O(5), and one F(4) atom to form LiO3F tetrahedra that share  a cornercorner with one Li(3)O3F tetrahedra, corners with two equivalent Li(10)O3F tetrahedra,  a cornercorner with one Li(8)O2F2 trigonal pyramid, corners with two equivalent Li(9)O3F trigonal pyramids,  an edgeedge with one Li(13)O3F tetrahedra,  an edgeedge with one Li(6)O3F tetrahedra, and  an edgeedge with one Li(11)O4 tetrahedra. The Li(2)-O(2) bond length is 1.96 Å. The Li(2)-O(4) bond length is 1.94 Å. The Li(2)-O(5) bond length is 1.87 Å. The Li(2)-F(4) bond length is 2.02 Å. In the third Li site, Li(3) is bonded to one O(1), one O(4), one O(6), and one F(3) atom to form distorted LiO3F tetrahedra that share  a cornercorner with one Li(2)O3F tetrahedra,  a cornercorner with one Li(8)O2F2 trigonal pyramid, corners with two equivalent Li(1)O2F2 trigonal pyramids, corners with two equivalent Li(9)O3F trigonal pyramids,  an edgeedge with one Li(5)O3F tetrahedra,  an edgeedge with one Li(11)O4 tetrahedra, and  an edgeedge with one Li(12)OF3 trigonal pyramid. The Li(3)-O(1) bond length is 1.90 Å. The Li(3)-O(4) bond length is 2.00 Å. The Li(3)-O(6) bond length is 2.08 Å. The Li(3)-F(3) bond length is 1.89 Å. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one O(3), one O(7), one F(1), and one F(2) atom. The Li(4)-O(3) bond length is 2.14 Å. The Li(4)-O(7) bond length is 2.02 Å. The Li(4)-F(1) bond length is 1.86 Å. The Li(4)-F(2) bond length is 1.91 Å. In the fifth Li site, Li(5) is bonded to one O(1), one O(6), one O(8), and one F(1) atom to form distorted LiO3F tetrahedra that share  a cornercorner with one Li(13)O3F tetrahedra, corners with two equivalent Li(11)O4 tetrahedra, corners with two equivalent Li(12)OF3 trigonal pyramids,  an edgeedge with one Li(3)O3F tetrahedra,  an edgeedge with one Li(1)O2F2 trigonal pyramid, and  an edgeedge with one Li(9)O3F trigonal pyramid. The Li(5)-O(1) bond length is 2.08 Å. The Li(5)-O(6) bond length is 1.90 Å. The Li(5)-O(8) bond length is 2.07 Å. The Li(5)-F(1) bond length is 1.91 Å. In the sixth Li site, Li(6) is bonded to one O(2), one O(5), one O(7), and one F(2) atom to form distorted LiO3F tetrahedra that share  a cornercorner with one Li(11)O4 tetrahedra, corners with two equivalent Li(13)O3F tetrahedra,  a cornercorner with one Li(12)OF3 trigonal pyramid,  an edgeedge with one Li(10)O3F tetrahedra,  an edgeedge with one Li(2)O3F tetrahedra, and  an edgeedge with one Li(8)O2F2 trigonal pyramid. The Li(6)-O(2) bond length is 2.01 Å. The Li(6)-O(5) bond length is 2.04 Å. The Li(6)-O(7) bond length is 1.97 Å. The Li(6)-F(2) bond length is 1.92 Å. In the seventh Li site, Li(7) is bonded in a 3-coordinate geometry to one O(2), one O(4), one O(5), one O(8), and one F(4) atom. The Li(7)-O(2) bond length is 2.45 Å. The Li(7)-O(4) bond length is 1.99 Å. The Li(7)-O(5) bond length is 2.52 Å. The Li(7)-O(8) bond length is 2.03 Å. The Li(7)-F(4) bond length is 2.18 Å. In the eighth Li site, Li(8) is bonded to one O(3), one O(5), one F(2), and one F(3) atom to form LiO2F2 trigonal pyramids that share  a cornercorner with one Li(2)O3F tetrahedra,  a cornercorner with one Li(3)O3F tetrahedra, corners with two equivalent Li(10)O3F tetrahedra, corners with two equivalent Li(1)O2F2 trigonal pyramids,  an edgeedge with one Li(6)O3F tetrahedra, and  an edgeedge with one Li(12)OF3 trigonal pyramid. The Li(8)-O(3) bond length is 1.89 Å. The Li(8)-O(5) bond length is 2.00 Å. The Li(8)-F(2) bond length is 2.13 Å. The Li(8)-F(3) bond length is 1.88 Å. In the ninth Li site, Li(9) is bonded to one O(1), one O(4), one O(8), and one F(4) atom to form distorted LiO3F trigonal pyramids that share  a cornercorner with one Li(10)O3F tetrahedra, corners with two equivalent Li(2)O3F tetrahedra, corners with two equivalent Li(3)O3F tetrahedra,  a cornercorner with one Li(1)O2F2 trigonal pyramid,  an edgeedge with one Li(13)O3F tetrahedra,  an edgeedge with one Li(5)O3F tetrahedra, and  an edgeedge with one Li(11)O4 tetrahedra. The Li(9)-O(1) bond length is 1.88 Å. The Li(9)-O(4) bond length is 1.89 Å. The Li(9)-O(8) bond length is 2.19 Å. The Li(9)-F(4) bond length is 2.16 Å. In the tenth Li site, Li(10) is bonded to one O(3), one O(5), one O(7), and one F(4) atom to form LiO3F tetrahedra that share corners with two equivalent Li(2)O3F tetrahedra,  a cornercorner with one Li(1)O2F2 trigonal pyramid,  a cornercorner with one Li(9)O3F trigonal pyramid, corners with two equivalent Li(8)O2F2 trigonal pyramids,  an edgeedge with one Li(13)O3F tetrahedra, and  an edgeedge with one Li(6)O3F tetrahedra. The Li(10)-O(3) bond length is 1.90 Å. The Li(10)-O(5) bond length is 2.01 Å. The Li(10)-O(7) bond length is 1.92 Å. The Li(10)-F(4) bond length is 1.90 Å. In the eleventh Li site, Li(11) is bonded to one O(2), one O(4), one O(6), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(6)O3F tetrahedra, corners with two equivalent Li(13)O3F tetrahedra, corners with two equivalent Li(5)O3F tetrahedra,  a cornercorner with one Li(12)OF3 trigonal pyramid,  an edgeedge with one Li(2)O3F tetrahedra,  an edgeedge with one Li(3)O3F tetrahedra, and  an edgeedge with one Li(9)O3F trigonal pyramid. The Li(11)-O(2) bond length is 1.99 Å. The Li(11)-O(4) bond length is 1.98 Å. The Li(11)-O(6) bond length is 1.88 Å. The Li(11)-O(8) bond length is 1.98 Å. In the twelfth Li site, Li(12) is bonded to one O(6), one F(1), one F(2), and one F(3) atom to form distorted LiOF3 trigonal pyramids that share  a cornercorner with one Li(6)O3F tetrahedra,  a cornercorner with one Li(11)O4 tetrahedra, corners with two equivalent Li(5)O3F tetrahedra,  an edgeedge with one Li(3)O3F tetrahedra,  an edgeedge with one Li(1)O2F2 trigonal pyramid, and  an edgeedge with one Li(8)O2F2 trigonal pyramid. The Li(12)-O(6) bond length is 1.94 Å. The Li(12)-F(1) bond length is 1.94 Å. The Li(12)-F(2) bond length is 1.90 Å. The Li(12)-F(3) bond length is 2.11 Å. In the thirteenth Li site, Li(13) is bonded to one O(2), one O(7), one O(8), and one F(4) atom to form LiO3F tetrahedra that share  a cornercorner with one Li(5)O3F tetrahedra, corners with two equivalent Li(6)O3F tetrahedra, corners with two equivalent Li(11)O4 tetrahedra,  an edgeedge with one Li(10)O3F tetrahedra,  an edgeedge with one Li(2)O3F tetrahedra, and  an edgeedge with one Li(9)O3F trigonal pyramid. The Li(13)-O(2) bond length is 1.95 Å. The Li(13)-O(7) bond length is 2.02 Å. The Li(13)-O(8) bond length is 1.87 Å. The Li(13)-F(4) bond length is 1.92 Å. In the fourteenth Li site, Li(14) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(5), one O(7), one O(8), and one F(4) atom. The Li(14)-O(2) bond length is 2.05 Å. The Li(14)-O(3) bond length is 2.58 Å. The Li(14)-O(5) bond length is 2.20 Å. The Li(14)-O(7) bond length is 2.04 Å. The Li(14)-O(8) bond length is 2.39 Å. The Li(14)-F(4) bond length is 2.46 Å. 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(4), one O(6), one O(8), one F(1), and one F(4) atom. The Mn(1)-O(1) bond length is 1.96 Å. The Mn(1)-O(4) bond length is 1.95 Å. The Mn(1)-O(6) bond length is 1.93 Å. The Mn(1)-O(8) bond length is 2.00 Å. The Mn(1)-F(1) bond length is 2.56 Å. The Mn(1)-F(4) bond length is 2.48 Å. In the second Mn site, Mn(2) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(5), one O(7), and one F(2) atom. The Mn(2)-O(2) bond length is 2.04 Å. The Mn(2)-O(3) bond length is 1.90 Å. The Mn(2)-O(5) bond length is 1.96 Å. The Mn(2)-O(7) bond length is 1.93 Å. The Mn(2)-F(2) bond length is 2.44 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Li(1), one Li(3), one Li(5), one Li(9), and one Mn(1) atom. In the second O site, O(2) is bonded in a 7-coordinate geometry to one Li(11), one Li(13), one Li(14), one Li(2), one Li(6), one Li(7), and one Mn(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Li(1), one Li(10), one Li(14), one Li(4), one Li(8), and one Mn(2) atom. In the fourth O site, O(4) is bonded to one Li(11), one Li(2), one Li(3), one Li(7), one Li(9), and one Mn(1) atom to form distorted OLi5Mn pentagonal pyramids that share  a cornercorner with one F(3)Li4 trigonal pyramid. In the fifth O site, O(5) is bonded in a 7-coordinate geometry to one Li(10), one Li(14), one Li(2), one Li(6), one Li(7), one Li(8), and one Mn(2) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Li(11), one Li(12), one Li(3), one Li(5), and one Mn(1) atom. In the seventh O site, O(7) is bonded in a distorted pentagonal pyramidal geometry to one Li(10), one Li(13), one Li(14), one Li(4), one Li(6), and one Mn(2) atom. In the eighth O site, O(8) is bonded in a 7-coordinate geometry to one Li(11), one Li(13), one Li(14), one Li(5), one Li(7), one Li(9), and one Mn(1) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a 5-coordinate geometry to one Li(1), one Li(12), one Li(4), one Li(5), and one Mn(1) atom. In the second F site, F(2) is bonded in a 5-coordinate geometry to one Li(12), one Li(4), one Li(6), one Li(8), and one Mn(2) atom. In the third F site, F(3) is bonded to one Li(1), one Li(12), one Li(3), and one Li(8) atom to form distorted FLi4 trigonal pyramids that share  a cornercorner with one O(4)Li5Mn pentagonal pyramid. In the fourth F site, F(4) is bonded in a 7-coordinate geometry to one Li(10), one Li(13), one Li(14), one Li(2), one Li(7), one Li(9), and one Mn(1) atom.