Li7Mn(OF)3 crystallizes in the triclinic P1 space group. There are fourteen inequivalent Li sites. In the first Li site, Li(1) is bonded in a 2-coordinate geometry to one F(1), one F(2), and one F(6) atom. In the second Li site, Li(2) is bonded in a distorted L-shaped geometry to one O(1) and one F(5) atom. In the third Li site, Li(3) is bonded in a distorted L-shaped geometry to one O(5), one F(1), and one F(6) atom. In the fourth Li site, Li(4) is bonded in a 3-coordinate geometry to one O(2), one F(2), and one F(3) atom. In the fifth Li site, Li(5) is bonded in a 2-coordinate geometry to one O(5), one O(6), one F(1), and one F(2) atom. In the sixth Li site, Li(6) is bonded in a 3-coordinate geometry to one O(1), one O(4), one F(3), and one F(4) atom. In the seventh Li site, Li(7) is bonded in a distorted linear geometry to one O(6) and one F(5) atom. In the eighth Li site, Li(8) is bonded in a 3-coordinate geometry to one O(2), one F(3), and one F(6) atom. In the ninth Li site, Li(9) is bonded in a 3-coordinate geometry to one O(3), one O(6), and one F(1) atom. In the tenth Li site, Li(10) is bonded in a 2-coordinate geometry to one O(4) and one F(4) atom. In the eleventh Li site, Li(11) is bonded in a 2-coordinate geometry to one O(1), one O(3), and one O(6) atom. In the twelfth Li site, Li(12) is bonded in a 2-coordinate geometry to one F(2), one F(3), and one F(6) atom. In the thirteenth Li site, Li(13) is bonded in a 2-coordinate geometry to one O(1), one O(6), and one F(5) atom. In the fourteenth Li site, Li(14) is bonded in a 2-coordinate geometry to one O(1), one O(4), and one O(6) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 1-coordinate geometry to one O(1), one O(2), and one F(4) atom. In the second Mn site, Mn(2) is bonded in a distorted linear geometry to one O(3), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Li(11), one Li(13), one Li(14), one Li(2), one Li(6), and one Mn(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(4), one Li(8), and one Mn(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(11), one Li(9), and one Mn(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(10), one Li(14), and one Li(6) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(3), one Li(5), and one Mn(2) atom. In the sixth O site, O(6) 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(2) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Li(5), and one Li(9) atom. In the second F site, F(2) is bonded in a 4-coordinate geometry to one Li(1), one Li(12), one Li(4), and one Li(5) atom. In the third F site, F(3) is bonded in a 4-coordinate geometry to one Li(12), one Li(4), one Li(6), and one Li(8) atom. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to one Li(10), one Li(6), and one Mn(1) atom. In the fifth F site, F(5) is bonded in a 3-coordinate geometry to one Li(13), one Li(2), and one Li(7) atom. In the sixth F site, F(6) is bonded in a 4-coordinate geometry to one Li(1), one Li(12), one Li(3), and one Li(8) atom.
Li7Mn(OF)3 crystallizes in the triclinic P1 space group. There are fourteen inequivalent Li sites. In the first Li site, Li(1) is bonded in a 2-coordinate geometry to one F(1), one F(2), and one F(6) atom. The Li(1)-F(1) bond length is 2.20 Å. The Li(1)-F(2) bond length is 1.75 Å. The Li(1)-F(6) bond length is 1.89 Å. In the second Li site, Li(2) is bonded in a distorted L-shaped geometry to one O(1) and one F(5) atom. The Li(2)-O(1) bond length is 1.67 Å. The Li(2)-F(5) bond length is 1.96 Å. In the third Li site, Li(3) is bonded in a distorted L-shaped geometry to one O(5), one F(1), and one F(6) atom. The Li(3)-O(5) bond length is 1.76 Å. The Li(3)-F(1) bond length is 1.90 Å. The Li(3)-F(6) bond length is 2.46 Å. In the fourth Li site, Li(4) is bonded in a 3-coordinate geometry to one O(2), one F(2), and one F(3) atom. The Li(4)-O(2) bond length is 1.56 Å. The Li(4)-F(2) bond length is 2.39 Å. The Li(4)-F(3) bond length is 1.90 Å. In the fifth Li site, Li(5) is bonded in a 2-coordinate geometry to one O(5), one O(6), one F(1), and one F(2) atom. The Li(5)-O(5) bond length is 1.79 Å. The Li(5)-O(6) bond length is 2.55 Å. The Li(5)-F(1) bond length is 1.62 Å. The Li(5)-F(2) bond length is 2.28 Å. In the sixth Li site, Li(6) is bonded in a 3-coordinate geometry to one O(1), one O(4), one F(3), and one F(4) atom. The Li(6)-O(1) bond length is 2.36 Å. The Li(6)-O(4) bond length is 1.78 Å. The Li(6)-F(3) bond length is 2.30 Å. The Li(6)-F(4) bond length is 1.99 Å. In the seventh Li site, Li(7) is bonded in a distorted linear geometry to one O(6) and one F(5) atom. The Li(7)-O(6) bond length is 1.82 Å. The Li(7)-F(5) bond length is 2.03 Å. In the eighth Li site, Li(8) is bonded in a 3-coordinate geometry to one O(2), one F(3), and one F(6) atom. The Li(8)-O(2) bond length is 1.85 Å. The Li(8)-F(3) bond length is 1.78 Å. The Li(8)-F(6) bond length is 2.22 Å. In the ninth Li site, Li(9) is bonded in a 3-coordinate geometry to one O(3), one O(6), and one F(1) atom. The Li(9)-O(3) bond length is 1.99 Å. The Li(9)-O(6) bond length is 1.74 Å. The Li(9)-F(1) bond length is 2.37 Å. In the tenth Li site, Li(10) is bonded in a 2-coordinate geometry to one O(4) and one F(4) atom. The Li(10)-O(4) bond length is 1.96 Å. The Li(10)-F(4) bond length is 1.61 Å. In the eleventh Li site, Li(11) is bonded in a 2-coordinate geometry to one O(1), one O(3), and one O(6) atom. The Li(11)-O(1) bond length is 2.41 Å. The Li(11)-O(3) bond length is 1.72 Å. The Li(11)-O(6) bond length is 2.01 Å. In the twelfth Li site, Li(12) is bonded in a 2-coordinate geometry to one F(2), one F(3), and one F(6) atom. The Li(12)-F(2) bond length is 1.91 Å. The Li(12)-F(3) bond length is 2.26 Å. The Li(12)-F(6) bond length is 1.70 Å. In the thirteenth Li site, Li(13) is bonded in a 2-coordinate geometry to one O(1), one O(6), and one F(5) atom. The Li(13)-O(1) bond length is 1.75 Å. The Li(13)-O(6) bond length is 2.16 Å. The Li(13)-F(5) bond length is 1.73 Å. In the fourteenth Li site, Li(14) is bonded in a 2-coordinate geometry to one O(1), one O(4), and one O(6) atom. The Li(14)-O(1) bond length is 2.08 Å. The Li(14)-O(4) bond length is 1.80 Å. The Li(14)-O(6) bond length is 2.30 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 1-coordinate geometry to one O(1), one O(2), and one F(4) atom. The Mn(1)-O(1) bond length is 1.95 Å. The Mn(1)-O(2) bond length is 1.58 Å. The Mn(1)-F(4) bond length is 2.29 Å. In the second Mn site, Mn(2) is bonded in a distorted linear geometry to one O(3), one O(5), and one O(6) atom. The Mn(2)-O(3) bond length is 1.80 Å. The Mn(2)-O(5) bond length is 1.75 Å. The Mn(2)-O(6) bond length is 2.53 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Li(11), one Li(13), one Li(14), one Li(2), one Li(6), and one Mn(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(4), one Li(8), and one Mn(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(11), one Li(9), and one Mn(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(10), one Li(14), and one Li(6) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(3), one Li(5), and one Mn(2) atom. In the sixth O site, O(6) 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(2) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Li(5), and one Li(9) atom. In the second F site, F(2) is bonded in a 4-coordinate geometry to one Li(1), one Li(12), one Li(4), and one Li(5) atom. In the third F site, F(3) is bonded in a 4-coordinate geometry to one Li(12), one Li(4), one Li(6), and one Li(8) atom. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to one Li(10), one Li(6), and one Mn(1) atom. In the fifth F site, F(5) is bonded in a 3-coordinate geometry to one Li(13), one Li(2), and one Li(7) atom. In the sixth F site, F(6) is bonded in a 4-coordinate geometry to one Li(1), one Li(12), one Li(3), and one Li(8) atom.