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(4), one F(10), one F(13), one F(3), and one F(4) atom to form distorted corner-sharing MnO2F4 octahedra. The corner-sharing octahedral tilt angles range from 38-40°. In the second Mn site, Mn(2) is bonded in a 6-coordinate geometry to one O(1), one O(10), one F(1), one F(10), one F(14), and one F(6) atom. In the third Mn site, Mn(3) is bonded to one O(2), one O(5), one F(1), one F(14), one F(5), and one F(9) atom to form distorted corner-sharing MnO2F4 octahedra. The corner-sharing octahedral tilt angles range from 46-65°. In the fourth Mn site, Mn(4) is bonded to one O(2), one O(9), one F(12), one F(2), one F(7), and one F(9) atom to form MnO2F4 octahedra that share corners with two equivalent Mn(3)O2F4 octahedra and corners with two equivalent Mn(5)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 31-65°. In the fifth Mn site, Mn(5) is bonded to one O(3), one O(6), one O(7), one F(11), one F(12), and one F(2) atom to form corner-sharing MnO3F3 octahedra. The corner-sharing octahedral tilt angles range from 31-55°. In the sixth Mn site, Mn(6) is bonded to one O(3), one O(8), one F(11), one F(13), one F(3), and one F(8) atom to form MnO2F4 octahedra that share corners with two equivalent Mn(1)O2F4 octahedra and corners with two equivalent Mn(5)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 38-55°. In the seventh Mn site, Mn(7) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(4), one O(5), one F(1), and one F(6) atom. In the eighth Mn site, Mn(8) is bonded in a 6-coordinate geometry to one O(1), one O(4), one O(8), one F(3), one F(4), and one F(6) atom. In the ninth Mn site, Mn(9) is bonded in a 6-coordinate geometry to one O(3), one O(6), one O(7), one O(9), one F(2), and one F(8) atom. In the tenth Mn site, Mn(10) is bonded in a 7-coordinate geometry to one O(2), one O(6), one O(9), one F(2), one F(5), one F(7), and one F(9) atom. In the eleventh Mn site, Mn(11) is bonded in a 7-coordinate geometry to one O(10), one O(2), one O(5), one F(1), one F(14), one F(5), and one F(7) atom. In the twelfth Mn site, Mn(12) is bonded in a 6-coordinate geometry to one O(3), one O(7), one O(8), one F(3), one F(4), and one F(8) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a tetrahedral 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(10), one Mn(11), one Mn(3), and one Mn(4) atom. In the third O site, O(3) is bonded in a distorted trigonal pyramidal geometry to one Mn(12), one Mn(5), one Mn(6), and one Mn(9) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Mn(7), and one Mn(8) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Mn(11), one Mn(3), and one Mn(7) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Mn(10), one Mn(5), and one Mn(9) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Mn(12), one Mn(5), and one Mn(9) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Mn(12), one Mn(6), and one Mn(8) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Mn(10), one Mn(4), 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(2), 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 rectangular see-saw-like geometry to one Mn(10), one Mn(4), one Mn(5), and one Mn(9) atom. In the third F site, F(3) is bonded in a rectangular see-saw-like geometry to one Mn(1), one Mn(12), one Mn(6), and one Mn(8) atom. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one Mn(1), one Mn(12), and one Mn(8) atom. In the fifth F site, F(5) is bonded in a distorted T-shaped geometry to one Mn(10), one Mn(11), and one Mn(3) atom. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(7), and one Mn(8) atom. In the seventh F site, F(7) is bonded in a distorted trigonal planar geometry to one Mn(10), one Mn(11), and one Mn(4) atom. In the eighth F site, F(8) is bonded in a trigonal planar geometry to one Mn(12), one Mn(6), and one Mn(9) atom. In the ninth F site, F(9) is bonded in a 2-coordinate geometry to one Mn(10), 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 distorted bent 120 degrees geometry to one Mn(5) and one Mn(6) atom. In the twelfth F site, F(12) is bonded in a bent 120 degrees geometry to one Mn(4) and one Mn(5) atom. In the thirteenth F site, F(13) is bonded in a bent 150 degrees geometry to one Mn(1) and one Mn(6) atom. In the fourteenth F site, F(14) is bonded in a 3-coordinate geometry to one Mn(11), one Mn(2), and one Mn(3) 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(4), one F(10), one F(13), one F(3), and one F(4) atom to form distorted corner-sharing MnO2F4 octahedra. The corner-sharing octahedral tilt angles range from 38-40°. The Mn(1)-O(1) bond length is 1.96 Å. The Mn(1)-O(4) bond length is 1.89 Å. The Mn(1)-F(10) bond length is 1.99 Å. The Mn(1)-F(13) bond length is 1.91 Å. The Mn(1)-F(3) bond length is 2.11 Å. The Mn(1)-F(4) bond length is 2.29 Å. In the second Mn site, Mn(2) is bonded in a 6-coordinate geometry to one O(1), one O(10), one F(1), one F(10), one F(14), and one F(6) atom. The Mn(2)-O(1) bond length is 2.24 Å. The Mn(2)-O(10) bond length is 2.21 Å. The Mn(2)-F(1) bond length is 2.33 Å. The Mn(2)-F(10) bond length is 2.04 Å. The Mn(2)-F(14) bond length is 2.06 Å. The Mn(2)-F(6) bond length is 2.27 Å. In the third Mn site, Mn(3) is bonded to one O(2), one O(5), one F(1), one F(14), one F(5), and one F(9) atom to form distorted corner-sharing MnO2F4 octahedra. The corner-sharing octahedral tilt angles range from 46-65°. The Mn(3)-O(2) bond length is 1.98 Å. The Mn(3)-O(5) bond length is 1.88 Å. The Mn(3)-F(1) bond length is 2.05 Å. The Mn(3)-F(14) bond length is 2.02 Å. The Mn(3)-F(5) bond length is 2.26 Å. The Mn(3)-F(9) bond length is 1.91 Å. In the fourth Mn site, Mn(4) is bonded to one O(2), one O(9), one F(12), one F(2), one F(7), and one F(9) atom to form MnO2F4 octahedra that share corners with two equivalent Mn(3)O2F4 octahedra and corners with two equivalent Mn(5)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 31-65°. The Mn(4)-O(2) bond length is 2.24 Å. The Mn(4)-O(9) bond length is 2.08 Å. The Mn(4)-F(12) bond length is 2.02 Å. The Mn(4)-F(2) bond length is 2.30 Å. The Mn(4)-F(7) bond length is 2.13 Å. The Mn(4)-F(9) bond length is 2.04 Å. In the fifth Mn site, Mn(5) is bonded to one O(3), one O(6), one O(7), one F(11), one F(12), and one F(2) atom to form corner-sharing MnO3F3 octahedra. The corner-sharing octahedral tilt angles range from 31-55°. The Mn(5)-O(3) bond length is 1.94 Å. The Mn(5)-O(6) bond length is 1.88 Å. The Mn(5)-O(7) bond length is 1.88 Å. The Mn(5)-F(11) bond length is 1.92 Å. The Mn(5)-F(12) bond length is 1.92 Å. The Mn(5)-F(2) bond length is 2.03 Å. In the sixth Mn site, Mn(6) is bonded to one O(3), one O(8), one F(11), one F(13), one F(3), and one F(8) atom to form MnO2F4 octahedra that share corners with two equivalent Mn(1)O2F4 octahedra and corners with two equivalent Mn(5)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 38-55°. The Mn(6)-O(3) bond length is 2.24 Å. The Mn(6)-O(8) bond length is 2.05 Å. The Mn(6)-F(11) bond length is 2.03 Å. The Mn(6)-F(13) bond length is 2.00 Å. The Mn(6)-F(3) bond length is 2.29 Å. The Mn(6)-F(8) bond length is 2.15 Å. In the seventh Mn site, Mn(7) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(4), one O(5), one F(1), and one F(6) atom. The Mn(7)-O(1) bond length is 2.11 Å. The Mn(7)-O(10) bond length is 1.93 Å. The Mn(7)-O(4) bond length is 1.97 Å. The Mn(7)-O(5) bond length is 1.98 Å. The Mn(7)-F(1) bond length is 2.53 Å. The Mn(7)-F(6) bond length is 2.16 Å. In the eighth Mn site, Mn(8) is bonded in a 6-coordinate geometry to one O(1), one O(4), one O(8), one F(3), one F(4), and one F(6) atom. The Mn(8)-O(1) bond length is 2.11 Å. The Mn(8)-O(4) bond length is 1.95 Å. The Mn(8)-O(8) bond length is 1.99 Å. The Mn(8)-F(3) bond length is 2.46 Å. The Mn(8)-F(4) bond length is 2.04 Å. The Mn(8)-F(6) bond length is 2.15 Å. In the ninth Mn site, Mn(9) is bonded in a 6-coordinate geometry to one O(3), one O(6), one O(7), one O(9), one F(2), and one F(8) atom. The Mn(9)-O(3) bond length is 2.17 Å. The Mn(9)-O(6) bond length is 1.96 Å. The Mn(9)-O(7) bond length is 1.93 Å. The Mn(9)-O(9) bond length is 1.93 Å. The Mn(9)-F(2) bond length is 2.44 Å. The Mn(9)-F(8) bond length is 2.15 Å. In the tenth Mn site, Mn(10) is bonded in a 7-coordinate geometry to one O(2), one O(6), one O(9), one F(2), one F(5), one F(7), and one F(9) atom. The Mn(10)-O(2) bond length is 2.21 Å. The Mn(10)-O(6) bond length is 1.93 Å. The Mn(10)-O(9) bond length is 1.98 Å. The Mn(10)-F(2) bond length is 2.50 Å. The Mn(10)-F(5) bond length is 2.02 Å. The Mn(10)-F(7) bond length is 2.18 Å. The Mn(10)-F(9) bond length is 2.58 Å. In the eleventh Mn site, Mn(11) is bonded in a 7-coordinate geometry to one O(10), one O(2), one O(5), one F(1), one F(14), one F(5), and one F(7) atom. The Mn(11)-O(10) bond length is 1.92 Å. The Mn(11)-O(2) bond length is 2.10 Å. The Mn(11)-O(5) bond length is 1.96 Å. The Mn(11)-F(1) bond length is 2.40 Å. The Mn(11)-F(14) bond length is 2.52 Å. The Mn(11)-F(5) bond length is 2.02 Å. The Mn(11)-F(7) bond length is 2.25 Å. In the twelfth Mn site, Mn(12) is bonded in a 6-coordinate geometry to one O(3), one O(7), one O(8), one F(3), one F(4), and one F(8) atom. The Mn(12)-O(3) bond length is 2.18 Å. The Mn(12)-O(7) bond length is 1.94 Å. The Mn(12)-O(8) bond length is 1.94 Å. The Mn(12)-F(3) bond length is 2.40 Å. The Mn(12)-F(4) bond length is 1.96 Å. The Mn(12)-F(8) bond length is 2.22 Å. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a tetrahedral 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(10), one Mn(11), one Mn(3), and one Mn(4) atom. In the third O site, O(3) is bonded in a distorted trigonal pyramidal geometry to one Mn(12), one Mn(5), one Mn(6), and one Mn(9) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Mn(7), and one Mn(8) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Mn(11), one Mn(3), and one Mn(7) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Mn(10), one Mn(5), and one Mn(9) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Mn(12), one Mn(5), and one Mn(9) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Mn(12), one Mn(6), and one Mn(8) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Mn(10), one Mn(4), 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(2), 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 rectangular see-saw-like geometry to one Mn(10), one Mn(4), one Mn(5), and one Mn(9) atom. In the third F site, F(3) is bonded in a rectangular see-saw-like geometry to one Mn(1), one Mn(12), one Mn(6), and one Mn(8) atom. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one Mn(1), one Mn(12), and one Mn(8) atom. In the fifth F site, F(5) is bonded in a distorted T-shaped geometry to one Mn(10), one Mn(11), and one Mn(3) atom. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(7), and one Mn(8) atom. In the seventh F site, F(7) is bonded in a distorted trigonal planar geometry to one Mn(10), one Mn(11), and one Mn(4) atom. In the eighth F site, F(8) is bonded in a trigonal planar geometry to one Mn(12), one Mn(6), and one Mn(9) atom. In the ninth F site, F(9) is bonded in a 2-coordinate geometry to one Mn(10), 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 distorted bent 120 degrees geometry to one Mn(5) and one Mn(6) atom. In the twelfth F site, F(12) is bonded in a bent 120 degrees geometry to one Mn(4) and one Mn(5) atom. In the thirteenth F site, F(13) is bonded in a bent 150 degrees geometry to one Mn(1) and one Mn(6) atom. In the fourteenth F site, F(14) is bonded in a 3-coordinate geometry to one Mn(11), one Mn(2), and one Mn(3) atom.