Mn6O5F7 crystallizes in the triclinic P1 space group. There are twelve inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(8), one F(10), one F(13), one F(4), and one F(6) atom to form corner-sharing MnO2F4 octahedra. The corner-sharing octahedral tilt angles range from 51-63°. In the second Mn site, Mn(2) is bonded to one O(1), one O(3), one O(4), one F(1), one F(10), and one F(14) atom to form MnO3F3 octahedra that share corners with two equivalent Mn(1)O2F4 octahedra, corners with two equivalent Mn(3)OF5 octahedra,  an edgeedge with one Mn(11)O3F3 octahedra, and  an edgeedge with one Mn(8)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 32-55°. In the third Mn site, Mn(3) is bonded to one O(10), one F(1), one F(14), one F(3), one F(7), and one F(9) atom to form MnOF5 octahedra that share corners with two equivalent Mn(4)O2F4 octahedra, corners with two equivalent Mn(2)O3F3 octahedra, and corners with four equivalent Mn(11)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 32-65°. In the fourth Mn site, Mn(4) is bonded to one O(5), one O(7), one F(12), one F(2), one F(3), and one F(9) atom to form MnO2F4 octahedra that share corners with two equivalent Mn(3)OF5 octahedra,  an edgeedge with one Mn(11)O3F3 octahedra, and  an edgeedge with one Mn(9)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 48-50°. In the fifth Mn site, Mn(5) is bonded in a 5-coordinate geometry to one O(2), one F(11), one F(12), one F(2), and one F(8) atom. In the sixth Mn site, Mn(6) is bonded in a 6-coordinate geometry to one O(2), one O(6), one F(11), one F(13), one F(4), and one F(5) atom. In the seventh Mn site, Mn(7) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(3), one O(4), one F(1), one F(14), and one F(6) atom. In the eighth Mn site, Mn(8) is bonded to one O(1), one O(3), one O(8), one F(4), one F(5), and one F(6) atom to form distorted MnO3F3 octahedra that share corners with four equivalent Mn(1)O2F4 octahedra and  an edgeedge with one Mn(2)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 52-63°. In the ninth Mn site, Mn(9) is bonded to one O(2), one O(5), one O(6), one O(9), one F(2), and one F(8) atom to form distorted edge-sharing MnO4F2 octahedra. In the tenth Mn site, Mn(10) is bonded in a 5-coordinate geometry to one O(5), one O(7), one O(9), one F(12), and one F(7) atom. In the eleventh Mn site, Mn(11) is bonded to one O(10), one O(4), one O(7), one F(1), one F(3), and one F(7) atom to form distorted MnO3F3 octahedra that share corners with four equivalent Mn(3)OF5 octahedra,  an edgeedge with one Mn(4)O2F4 octahedra, and  an edgeedge with one Mn(2)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 50-65°. In the twelfth Mn site, Mn(12) is bonded in a 7-coordinate geometry to one O(2), one O(6), one O(8), one F(11), one F(13), one F(5), and one F(8) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal pyramidal geometry to one Mn(1), one Mn(2), one Mn(7), and one Mn(8) atom. In the second O site, O(2) is bonded in a tetrahedral geometry to one Mn(12), one Mn(5), one Mn(6), and one Mn(9) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Mn(2), one Mn(7), and one Mn(8) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Mn(11), one Mn(2), and one Mn(7) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mn(10), one Mn(4), and one Mn(9) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mn(12), one Mn(6), and one Mn(9) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mn(10), one Mn(11), and one Mn(4) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Mn(1), one Mn(12), and one Mn(8) atom. In the ninth O site, O(9) is bonded in a 2-coordinate geometry to one Mn(10) and one Mn(9) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Mn(11), one Mn(3), and one Mn(7) atom. There are fourteen inequivalent F sites. In the first F site, F(1) is bonded in a distorted rectangular see-saw-like geometry to one Mn(11), one Mn(2), one Mn(3), and one Mn(7) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Mn(4), one Mn(5), and one Mn(9) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Mn(11), one Mn(3), and one Mn(4) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(6), and one Mn(8) atom. In the fifth F site, F(5) is bonded in a 3-coordinate geometry to one Mn(12), one Mn(6), and one Mn(8) atom. In the sixth F site, F(6) is bonded in a trigonal planar geometry to one Mn(1), one Mn(7), and one Mn(8) atom. In the seventh F site, F(7) is bonded in a trigonal planar geometry to one Mn(10), one Mn(11), and one Mn(3) atom. In the eighth F site, F(8) is bonded in a 3-coordinate geometry to one Mn(12), one Mn(5), and one Mn(9) atom. In the ninth F site, F(9) is bonded in a distorted bent 120 degrees geometry to one Mn(3) and one Mn(4) atom. In the tenth F site, F(10) is bonded in a bent 120 degrees geometry to one Mn(1) and one Mn(2) atom. In the eleventh F site, F(11) is bonded in a 3-coordinate geometry to one Mn(12), one Mn(5), and one Mn(6) atom. In the twelfth F site, F(12) is bonded in a distorted trigonal non-coplanar geometry to one Mn(10), one Mn(4), and one Mn(5) atom. In the thirteenth F site, F(13) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(12), and one Mn(6) atom. In the fourteenth F site, F(14) is bonded in a distorted bent 120 degrees geometry to one Mn(2), one Mn(3), and one Mn(7) atom.
Mn6O5F7 crystallizes in the triclinic P1 space group. There are twelve inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(8), one F(10), one F(13), one F(4), and one F(6) atom to form corner-sharing MnO2F4 octahedra. The corner-sharing octahedral tilt angles range from 51-63°. The Mn(1)-O(1) bond length is 2.34 Å. The Mn(1)-O(8) bond length is 2.09 Å. The Mn(1)-F(10) bond length is 2.06 Å. The Mn(1)-F(13) bond length is 2.09 Å. The Mn(1)-F(4) bond length is 2.18 Å. The Mn(1)-F(6) bond length is 2.13 Å. In the second Mn site, Mn(2) is bonded to one O(1), one O(3), one O(4), one F(1), one F(10), and one F(14) atom to form MnO3F3 octahedra that share corners with two equivalent Mn(1)O2F4 octahedra, corners with two equivalent Mn(3)OF5 octahedra,  an edgeedge with one Mn(11)O3F3 octahedra, and  an edgeedge with one Mn(8)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 32-55°. The Mn(2)-O(1) bond length is 1.90 Å. The Mn(2)-O(3) bond length is 1.88 Å. The Mn(2)-O(4) bond length is 1.88 Å. The Mn(2)-F(1) bond length is 2.00 Å. The Mn(2)-F(10) bond length is 1.91 Å. The Mn(2)-F(14) bond length is 1.92 Å. In the third Mn site, Mn(3) is bonded to one O(10), one F(1), one F(14), one F(3), one F(7), and one F(9) atom to form MnOF5 octahedra that share corners with two equivalent Mn(4)O2F4 octahedra, corners with two equivalent Mn(2)O3F3 octahedra, and corners with four equivalent Mn(11)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 32-65°. The Mn(3)-O(10) bond length is 2.03 Å. The Mn(3)-F(1) bond length is 2.18 Å. The Mn(3)-F(14) bond length is 2.06 Å. The Mn(3)-F(3) bond length is 2.13 Å. The Mn(3)-F(7) bond length is 2.25 Å. The Mn(3)-F(9) bond length is 2.06 Å. In the fourth Mn site, Mn(4) is bonded to one O(5), one O(7), one F(12), one F(2), one F(3), and one F(9) atom to form MnO2F4 octahedra that share corners with two equivalent Mn(3)OF5 octahedra,  an edgeedge with one Mn(11)O3F3 octahedra, and  an edgeedge with one Mn(9)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 48-50°. The Mn(4)-O(5) bond length is 1.91 Å. The Mn(4)-O(7) bond length is 1.96 Å. The Mn(4)-F(12) bond length is 2.00 Å. The Mn(4)-F(2) bond length is 2.06 Å. The Mn(4)-F(3) bond length is 2.15 Å. The Mn(4)-F(9) bond length is 1.98 Å. In the fifth Mn site, Mn(5) is bonded in a 5-coordinate geometry to one O(2), one F(11), one F(12), one F(2), and one F(8) atom. The Mn(5)-O(2) bond length is 2.15 Å. The Mn(5)-F(11) bond length is 2.10 Å. The Mn(5)-F(12) bond length is 2.18 Å. The Mn(5)-F(2) bond length is 2.08 Å. The Mn(5)-F(8) bond length is 2.16 Å. In the sixth Mn site, Mn(6) is bonded in a 6-coordinate geometry to one O(2), one O(6), one F(11), one F(13), one F(4), and one F(5) atom. The Mn(6)-O(2) bond length is 1.98 Å. The Mn(6)-O(6) bond length is 1.90 Å. The Mn(6)-F(11) bond length is 2.03 Å. The Mn(6)-F(13) bond length is 1.97 Å. The Mn(6)-F(4) bond length is 2.13 Å. The Mn(6)-F(5) bond length is 2.33 Å. In the seventh Mn site, Mn(7) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(3), one O(4), one F(1), one F(14), and one F(6) atom. The Mn(7)-O(1) bond length is 2.22 Å. The Mn(7)-O(10) bond length is 1.95 Å. The Mn(7)-O(3) bond length is 1.92 Å. The Mn(7)-O(4) bond length is 1.95 Å. The Mn(7)-F(1) bond length is 2.61 Å. The Mn(7)-F(14) bond length is 2.71 Å. The Mn(7)-F(6) bond length is 2.15 Å. In the eighth Mn site, Mn(8) is bonded to one O(1), one O(3), one O(8), one F(4), one F(5), and one F(6) atom to form distorted MnO3F3 octahedra that share corners with four equivalent Mn(1)O2F4 octahedra and  an edgeedge with one Mn(2)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 52-63°. The Mn(8)-O(1) bond length is 2.09 Å. The Mn(8)-O(3) bond length is 1.95 Å. The Mn(8)-O(8) bond length is 1.91 Å. The Mn(8)-F(4) bond length is 2.25 Å. The Mn(8)-F(5) bond length is 1.96 Å. The Mn(8)-F(6) bond length is 2.21 Å. In the ninth Mn site, Mn(9) is bonded to one O(2), one O(5), one O(6), one O(9), one F(2), and one F(8) atom to form distorted edge-sharing MnO4F2 octahedra. The Mn(9)-O(2) bond length is 2.00 Å. The Mn(9)-O(5) bond length is 2.02 Å. The Mn(9)-O(6) bond length is 2.01 Å. The Mn(9)-O(9) bond length is 1.88 Å. The Mn(9)-F(2) bond length is 2.32 Å. The Mn(9)-F(8) bond length is 2.11 Å. In the tenth Mn site, Mn(10) is bonded in a 5-coordinate geometry to one O(5), one O(7), one O(9), one F(12), and one F(7) atom. The Mn(10)-O(5) bond length is 2.14 Å. The Mn(10)-O(7) bond length is 1.98 Å. The Mn(10)-O(9) bond length is 1.85 Å. The Mn(10)-F(12) bond length is 2.16 Å. The Mn(10)-F(7) bond length is 2.04 Å. In the eleventh Mn site, Mn(11) is bonded to one O(10), one O(4), one O(7), one F(1), one F(3), and one F(7) atom to form distorted MnO3F3 octahedra that share corners with four equivalent Mn(3)OF5 octahedra,  an edgeedge with one Mn(4)O2F4 octahedra, and  an edgeedge with one Mn(2)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 50-65°. The Mn(11)-O(10) bond length is 1.93 Å. The Mn(11)-O(4) bond length is 1.96 Å. The Mn(11)-O(7) bond length is 1.97 Å. The Mn(11)-F(1) bond length is 2.34 Å. The Mn(11)-F(3) bond length is 2.14 Å. The Mn(11)-F(7) bond length is 2.14 Å. In the twelfth Mn site, Mn(12) is bonded in a 7-coordinate geometry to one O(2), one O(6), one O(8), one F(11), one F(13), one F(5), and one F(8) atom. The Mn(12)-O(2) bond length is 2.24 Å. The Mn(12)-O(6) bond length is 1.94 Å. The Mn(12)-O(8) bond length is 2.00 Å. The Mn(12)-F(11) bond length is 2.51 Å. The Mn(12)-F(13) bond length is 2.49 Å. The Mn(12)-F(5) bond length is 2.09 Å. The Mn(12)-F(8) bond length is 2.40 Å. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal pyramidal geometry to one Mn(1), one Mn(2), one Mn(7), and one Mn(8) atom. In the second O site, O(2) is bonded in a tetrahedral geometry to one Mn(12), one Mn(5), one Mn(6), and one Mn(9) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Mn(2), one Mn(7), and one Mn(8) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Mn(11), one Mn(2), and one Mn(7) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mn(10), one Mn(4), and one Mn(9) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mn(12), one Mn(6), and one Mn(9) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mn(10), one Mn(11), and one Mn(4) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Mn(1), one Mn(12), and one Mn(8) atom. In the ninth O site, O(9) is bonded in a 2-coordinate geometry to one Mn(10) and one Mn(9) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Mn(11), one Mn(3), and one Mn(7) atom. There are fourteen inequivalent F sites. In the first F site, F(1) is bonded in a distorted rectangular see-saw-like geometry to one Mn(11), one Mn(2), one Mn(3), and one Mn(7) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Mn(4), one Mn(5), and one Mn(9) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Mn(11), one Mn(3), and one Mn(4) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(6), and one Mn(8) atom. In the fifth F site, F(5) is bonded in a 3-coordinate geometry to one Mn(12), one Mn(6), and one Mn(8) atom. In the sixth F site, F(6) is bonded in a trigonal planar geometry to one Mn(1), one Mn(7), and one Mn(8) atom. In the seventh F site, F(7) is bonded in a trigonal planar geometry to one Mn(10), one Mn(11), and one Mn(3) atom. In the eighth F site, F(8) is bonded in a 3-coordinate geometry to one Mn(12), one Mn(5), and one Mn(9) atom. In the ninth F site, F(9) is bonded in a distorted bent 120 degrees geometry to one Mn(3) and one Mn(4) atom. In the tenth F site, F(10) is bonded in a bent 120 degrees geometry to one Mn(1) and one Mn(2) atom. In the eleventh F site, F(11) is bonded in a 3-coordinate geometry to one Mn(12), one Mn(5), and one Mn(6) atom. In the twelfth F site, F(12) is bonded in a distorted trigonal non-coplanar geometry to one Mn(10), one Mn(4), and one Mn(5) atom. In the thirteenth F site, F(13) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(12), and one Mn(6) atom. In the fourteenth F site, F(14) is bonded in a distorted bent 120 degrees geometry to one Mn(2), one Mn(3), and one Mn(7) atom.