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(2), one O(4), one F(10), one F(13), one F(2), and one F(4) atom to form MnO2F4 octahedra that share corners with two equivalent Mn(2)O2F4 octahedra, corners with two equivalent Mn(7)O4F2 octahedra, and edges with two equivalent Mn(8)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 43-54°. In the second Mn site, Mn(2) is bonded to one O(10), one O(9), one F(1), one F(10), one F(14), and one F(2) atom to form MnO2F4 octahedra that share corners with two equivalent Mn(1)O2F4 octahedra, corners with two equivalent Mn(3)O2F4 octahedra, corners with two equivalent Mn(11)O3F3 octahedra, corners with two equivalent Mn(8)O3F3 octahedra, and edges with two equivalent Mn(7)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 44-61°. In the third Mn site, Mn(3) is bonded to one O(1), one O(5), one F(1), one F(14), one F(5), and one F(9) atom to form MnO2F4 octahedra that share corners with two equivalent Mn(10)O2F4 octahedra, corners with two equivalent Mn(2)O2F4 octahedra, corners with two equivalent Mn(4)O2F4 octahedra, corners with two equivalent Mn(7)O4F2 octahedra, and edges with two equivalent Mn(11)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 42-55°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(8), one F(12), one F(3), one F(7), and one F(9) atom to form MnO2F4 octahedra that share corners with two equivalent Mn(3)O2F4 octahedra, corners with two equivalent Mn(11)O3F3 octahedra, corners with two equivalent Mn(5)O3F3 octahedra, corners with two equivalent Mn(9)O4F2 octahedra, and edges with two equivalent Mn(10)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 41-56°. 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(3) atom to form MnO3F3 octahedra that share corners with two equivalent Mn(10)O2F4 octahedra, corners with two equivalent Mn(4)O2F4 octahedra, and edges with two equivalent Mn(9)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 41-53°. In the sixth Mn site, Mn(6) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(7), one F(11), one F(13), and one F(6) atom. In the seventh Mn site, Mn(7) is bonded to one O(10), one O(4), one O(5), one O(9), one F(10), and one F(14) atom to form MnO4F2 octahedra that share corners with two equivalent Mn(1)O2F4 octahedra, corners with two equivalent Mn(3)O2F4 octahedra, corners with two equivalent Mn(11)O3F3 octahedra, corners with two equivalent Mn(8)O3F3 octahedra, and edges with two equivalent Mn(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 42-57°. In the eighth Mn site, Mn(8) is bonded to one O(10), one O(2), one O(4), one F(2), one F(4), and one F(6) atom to form distorted MnO3F3 octahedra that share corners with two equivalent Mn(2)O2F4 octahedra, corners with two equivalent Mn(7)O4F2 octahedra, and edges with two equivalent Mn(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 46-61°. In the ninth Mn site, Mn(9) is bonded to one O(3), one O(6), one O(7), one O(8), one F(3), and one F(8) atom to form distorted MnO4F2 octahedra that share corners with two equivalent Mn(10)O2F4 octahedra, corners with two equivalent Mn(4)O2F4 octahedra, and edges with two equivalent Mn(5)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 50-56°. In the tenth Mn site, Mn(10) is bonded to one O(6), one O(8), one F(12), one F(5), one F(7), and one F(9) atom to form distorted MnO2F4 octahedra that share corners with two equivalent Mn(3)O2F4 octahedra, corners with two equivalent Mn(11)O3F3 octahedra, corners with two equivalent Mn(5)O3F3 octahedra, corners with two equivalent Mn(9)O4F2 octahedra, and edges with two equivalent Mn(4)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 46-55°. In the eleventh Mn site, Mn(11) is bonded to one O(1), one O(5), one O(9), one F(1), one F(5), and one F(7) atom to form MnO3F3 octahedra that share corners with two equivalent Mn(10)O2F4 octahedra, corners with two equivalent Mn(2)O2F4 octahedra, corners with two equivalent Mn(4)O2F4 octahedra, corners with two equivalent Mn(7)O4F2 octahedra, and edges with two equivalent Mn(3)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 46-58°. In the twelfth Mn site, Mn(12) is bonded in a 6-coordinate geometry to one O(2), one O(7), one F(11), one F(4), one F(6), and one F(8) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mn(11), one Mn(3), and one Mn(4) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(12), one Mn(6), and one Mn(8) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Mn(5), one Mn(6), and one Mn(9) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(1), one Mn(7), and one Mn(8) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mn(11), one Mn(3), and one Mn(7) atom. In the sixth O site, O(6) is bonded in a trigonal planar 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 tetrahedral geometry to one Mn(12), one Mn(5), one Mn(6), and one Mn(9) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Mn(10), one Mn(4), and one Mn(9) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Mn(11), one Mn(2), and one Mn(7) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Mn(2), one Mn(7), and one Mn(8) atom. There are fourteen inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Mn(11), one Mn(2), and one Mn(3) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one Mn(8) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Mn(4), one Mn(5), and one Mn(9) 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 trigonal planar 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 water-like geometry to one Mn(12), one Mn(6), 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 bent 120 degrees geometry to one Mn(12) and one Mn(9) atom. In the ninth F site, F(9) is bonded in a distorted trigonal planar geometry to one Mn(10), one Mn(3), and one Mn(4) atom. In the tenth F site, F(10) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(7) atom. In the eleventh F site, F(11) is bonded in a distorted trigonal non-coplanar geometry to one Mn(12), one Mn(5), and one Mn(6) atom. In the twelfth F site, F(12) is bonded in a 3-coordinate geometry to one Mn(10), one Mn(4), and one Mn(5) atom. In the thirteenth F site, F(13) is bonded in a bent 120 degrees geometry to one Mn(1) and one Mn(6) atom. In the fourteenth F site, F(14) is bonded in a distorted trigonal planar 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(2), one O(4), one F(10), one F(13), one F(2), and one F(4) atom to form MnO2F4 octahedra that share corners with two equivalent Mn(2)O2F4 octahedra, corners with two equivalent Mn(7)O4F2 octahedra, and edges with two equivalent Mn(8)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 43-54°. The Mn(1)-O(2) bond length is 1.93 Å. The Mn(1)-O(4) bond length is 1.94 Å. The Mn(1)-F(10) bond length is 2.13 Å. The Mn(1)-F(13) bond length is 1.97 Å. The Mn(1)-F(2) bond length is 2.06 Å. The Mn(1)-F(4) bond length is 2.25 Å. In the second Mn site, Mn(2) is bonded to one O(10), one O(9), one F(1), one F(10), one F(14), and one F(2) atom to form MnO2F4 octahedra that share corners with two equivalent Mn(1)O2F4 octahedra, corners with two equivalent Mn(3)O2F4 octahedra, corners with two equivalent Mn(11)O3F3 octahedra, corners with two equivalent Mn(8)O3F3 octahedra, and edges with two equivalent Mn(7)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 44-61°. The Mn(2)-O(10) bond length is 1.93 Å. The Mn(2)-O(9) bond length is 1.93 Å. The Mn(2)-F(1) bond length is 2.09 Å. The Mn(2)-F(10) bond length is 2.10 Å. The Mn(2)-F(14) bond length is 2.11 Å. The Mn(2)-F(2) bond length is 2.05 Å. In the third Mn site, Mn(3) is bonded to one O(1), one O(5), one F(1), one F(14), one F(5), and one F(9) atom to form MnO2F4 octahedra that share corners with two equivalent Mn(10)O2F4 octahedra, corners with two equivalent Mn(2)O2F4 octahedra, corners with two equivalent Mn(4)O2F4 octahedra, corners with two equivalent Mn(7)O4F2 octahedra, and edges with two equivalent Mn(11)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 42-55°. The Mn(3)-O(1) bond length is 1.92 Å. The Mn(3)-O(5) bond length is 1.93 Å. The Mn(3)-F(1) bond length is 2.05 Å. The Mn(3)-F(14) bond length is 2.11 Å. The Mn(3)-F(5) bond length is 2.28 Å. The Mn(3)-F(9) bond length is 2.03 Å. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(8), one F(12), one F(3), one F(7), and one F(9) atom to form MnO2F4 octahedra that share corners with two equivalent Mn(3)O2F4 octahedra, corners with two equivalent Mn(11)O3F3 octahedra, corners with two equivalent Mn(5)O3F3 octahedra, corners with two equivalent Mn(9)O4F2 octahedra, and edges with two equivalent Mn(10)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 41-56°. The Mn(4)-O(1) bond length is 2.01 Å. The Mn(4)-O(8) bond length is 2.06 Å. The Mn(4)-F(12) bond length is 2.08 Å. The Mn(4)-F(3) bond length is 2.09 Å. The Mn(4)-F(7) bond length is 2.21 Å. The Mn(4)-F(9) bond length is 2.17 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(3) atom to form MnO3F3 octahedra that share corners with two equivalent Mn(10)O2F4 octahedra, corners with two equivalent Mn(4)O2F4 octahedra, and edges with two equivalent Mn(9)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 41-53°. The Mn(5)-O(3) bond length is 1.93 Å. The Mn(5)-O(6) bond length is 1.90 Å. The Mn(5)-O(7) bond length is 1.92 Å. The Mn(5)-F(11) bond length is 1.95 Å. The Mn(5)-F(12) bond length is 2.02 Å. The Mn(5)-F(3) bond length is 2.06 Å. In the sixth Mn site, Mn(6) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(7), one F(11), one F(13), and one F(6) atom. The Mn(6)-O(2) bond length is 2.03 Å. The Mn(6)-O(3) bond length is 1.99 Å. The Mn(6)-O(7) bond length is 2.23 Å. The Mn(6)-F(11) bond length is 2.20 Å. The Mn(6)-F(13) bond length is 2.05 Å. The Mn(6)-F(6) bond length is 2.61 Å. In the seventh Mn site, Mn(7) is bonded to one O(10), one O(4), one O(5), one O(9), one F(10), and one F(14) atom to form MnO4F2 octahedra that share corners with two equivalent Mn(1)O2F4 octahedra, corners with two equivalent Mn(3)O2F4 octahedra, corners with two equivalent Mn(11)O3F3 octahedra, corners with two equivalent Mn(8)O3F3 octahedra, and edges with two equivalent Mn(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 42-57°. The Mn(7)-O(10) bond length is 1.97 Å. The Mn(7)-O(4) bond length is 1.96 Å. The Mn(7)-O(5) bond length is 1.95 Å. The Mn(7)-O(9) bond length is 1.99 Å. The Mn(7)-F(10) bond length is 2.11 Å. The Mn(7)-F(14) bond length is 2.13 Å. In the eighth Mn site, Mn(8) is bonded to one O(10), one O(2), one O(4), one F(2), one F(4), and one F(6) atom to form distorted MnO3F3 octahedra that share corners with two equivalent Mn(2)O2F4 octahedra, corners with two equivalent Mn(7)O4F2 octahedra, and edges with two equivalent Mn(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 46-61°. The Mn(8)-O(10) bond length is 1.99 Å. The Mn(8)-O(2) bond length is 1.98 Å. The Mn(8)-O(4) bond length is 1.93 Å. The Mn(8)-F(2) bond length is 2.41 Å. The Mn(8)-F(4) bond length is 2.00 Å. The Mn(8)-F(6) bond length is 2.12 Å. In the ninth Mn site, Mn(9) is bonded to one O(3), one O(6), one O(7), one O(8), one F(3), and one F(8) atom to form distorted MnO4F2 octahedra that share corners with two equivalent Mn(10)O2F4 octahedra, corners with two equivalent Mn(4)O2F4 octahedra, and edges with two equivalent Mn(5)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 50-56°. The Mn(9)-O(3) bond length is 1.95 Å. The Mn(9)-O(6) bond length is 2.01 Å. The Mn(9)-O(7) bond length is 2.03 Å. The Mn(9)-O(8) bond length is 1.92 Å. The Mn(9)-F(3) bond length is 2.30 Å. The Mn(9)-F(8) bond length is 2.07 Å. In the tenth Mn site, Mn(10) is bonded to one O(6), one O(8), one F(12), one F(5), one F(7), and one F(9) atom to form distorted MnO2F4 octahedra that share corners with two equivalent Mn(3)O2F4 octahedra, corners with two equivalent Mn(11)O3F3 octahedra, corners with two equivalent Mn(5)O3F3 octahedra, corners with two equivalent Mn(9)O4F2 octahedra, and edges with two equivalent Mn(4)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 46-55°. The Mn(10)-O(6) bond length is 1.90 Å. The Mn(10)-O(8) bond length is 1.89 Å. The Mn(10)-F(12) bond length is 2.37 Å. The Mn(10)-F(5) bond length is 2.21 Å. The Mn(10)-F(7) bond length is 2.01 Å. The Mn(10)-F(9) bond length is 2.08 Å. In the eleventh Mn site, Mn(11) is bonded to one O(1), one O(5), one O(9), one F(1), one F(5), and one F(7) atom to form MnO3F3 octahedra that share corners with two equivalent Mn(10)O2F4 octahedra, corners with two equivalent Mn(2)O2F4 octahedra, corners with two equivalent Mn(4)O2F4 octahedra, corners with two equivalent Mn(7)O4F2 octahedra, and edges with two equivalent Mn(3)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 46-58°. The Mn(11)-O(1) bond length is 1.96 Å. The Mn(11)-O(5) bond length is 1.91 Å. The Mn(11)-O(9) bond length is 1.99 Å. The Mn(11)-F(1) bond length is 2.33 Å. The Mn(11)-F(5) bond length is 1.98 Å. The Mn(11)-F(7) bond length is 2.35 Å. In the twelfth Mn site, Mn(12) is bonded in a 6-coordinate geometry to one O(2), one O(7), one F(11), one F(4), one F(6), and one F(8) atom. The Mn(12)-O(2) bond length is 2.64 Å. The Mn(12)-O(7) bond length is 2.17 Å. The Mn(12)-F(11) bond length is 2.28 Å. The Mn(12)-F(4) bond length is 2.24 Å. The Mn(12)-F(6) bond length is 2.06 Å. The Mn(12)-F(8) bond length is 2.05 Å. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mn(11), one Mn(3), and one Mn(4) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(12), one Mn(6), and one Mn(8) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Mn(5), one Mn(6), and one Mn(9) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(1), one Mn(7), and one Mn(8) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mn(11), one Mn(3), and one Mn(7) atom. In the sixth O site, O(6) is bonded in a trigonal planar 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 tetrahedral geometry to one Mn(12), one Mn(5), one Mn(6), and one Mn(9) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Mn(10), one Mn(4), and one Mn(9) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Mn(11), one Mn(2), and one Mn(7) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Mn(2), one Mn(7), and one Mn(8) atom. There are fourteen inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Mn(11), one Mn(2), and one Mn(3) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one Mn(8) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Mn(4), one Mn(5), and one Mn(9) 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 trigonal planar 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 water-like geometry to one Mn(12), one Mn(6), 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 bent 120 degrees geometry to one Mn(12) and one Mn(9) atom. In the ninth F site, F(9) is bonded in a distorted trigonal planar geometry to one Mn(10), one Mn(3), and one Mn(4) atom. In the tenth F site, F(10) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(7) atom. In the eleventh F site, F(11) is bonded in a distorted trigonal non-coplanar geometry to one Mn(12), one Mn(5), and one Mn(6) atom. In the twelfth F site, F(12) is bonded in a 3-coordinate geometry to one Mn(10), one Mn(4), and one Mn(5) atom. In the thirteenth F site, F(13) is bonded in a bent 120 degrees geometry to one Mn(1) and one Mn(6) atom. In the fourteenth F site, F(14) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(7) atom.