Mn12O7F17 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(3), one F(13), one F(16), one F(2), and one F(5) atom to form distorted edge-sharing MnO2F4 octahedra. In the second Mn site, Mn(2) is bonded to one O(3), one O(4), one O(7), one F(1), and one F(13) atom to form MnO3F2 square pyramids that share corners with two equivalent Mn(11)O2F4 octahedra, corners with two equivalent Mn(3)OF5 octahedra, and  an edgeedge with one Mn(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 48-58°. In the third Mn site, Mn(3) is bonded to one O(4), one F(1), one F(10), one F(12), one F(17), and one F(4) atom to form MnOF5 octahedra that share corners with two equivalent Mn(4)O2F4 octahedra, corners with two equivalent Mn(10)OF5 octahedra, corners with two equivalent Mn(2)O3F2 square pyramids, and edges with two equivalent Mn(11)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 49-58°. In the fourth Mn site, Mn(4) is bonded to one O(5), one O(6), one F(10), one F(12), one F(3), and one F(7) atom to form distorted MnO2F4 octahedra that share corners with two equivalent Mn(11)O2F4 octahedra, corners with two equivalent Mn(5)O2F4 octahedra, corners with two equivalent Mn(9)O3F3 octahedra, corners with two equivalent Mn(3)OF5 octahedra, and edges with two equivalent Mn(10)OF5 octahedra. The corner-sharing octahedral tilt angles range from 45-58°. In the fifth Mn site, Mn(5) is bonded to one O(2), one O(5), one F(11), one F(14), one F(15), and one F(3) atom to form MnO2F4 octahedra that share corners with two equivalent Mn(4)O2F4 octahedra, corners with two equivalent Mn(10)OF5 octahedra, and edges with two equivalent Mn(9)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 40-58°. In the sixth Mn site, Mn(6) is bonded in a 8-coordinate geometry to one O(1), one O(2), one F(11), one F(14), one F(16), one F(5), one F(6), and one F(8) atom. In the seventh Mn site, Mn(7) is bonded in a 7-coordinate geometry to one O(3), one O(7), one F(1), one F(13), one F(17), one F(2), and one F(9) atom. In the eighth Mn site, Mn(8) is bonded in a 6-coordinate geometry to one O(1), one O(3), one F(2), one F(5), one F(8), and one F(9) atom. In the ninth Mn site, Mn(9) is bonded to one O(2), one O(5), one O(6), one F(11), one F(15), and one F(6) atom to form MnO3F3 octahedra that share corners with two equivalent Mn(4)O2F4 octahedra, corners with two equivalent Mn(10)OF5 octahedra, and edges with two equivalent Mn(5)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 48-62°. In the tenth Mn site, Mn(10) is bonded to one O(6), one F(12), one F(15), one F(3), one F(4), and one F(7) atom to form MnOF5 octahedra that share corners with two equivalent Mn(11)O2F4 octahedra, corners with two equivalent Mn(5)O2F4 octahedra, corners with two equivalent Mn(9)O3F3 octahedra, corners with two equivalent Mn(3)OF5 octahedra, and edges with two equivalent Mn(4)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 40-62°. In the eleventh Mn site, Mn(11) is bonded to one O(4), one O(7), one F(10), one F(17), one F(4), and one F(7) atom to form distorted MnO2F4 octahedra that share corners with two equivalent Mn(4)O2F4 octahedra, corners with two equivalent Mn(10)OF5 octahedra, corners with two equivalent Mn(2)O3F2 square pyramids, and edges with two equivalent Mn(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 45-57°. In the twelfth Mn site, Mn(12) is bonded in a 7-coordinate geometry to one O(1), one O(2), one F(14), one F(16), one F(5), one F(6), and one F(8) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded to one Mn(1), one Mn(12), one Mn(6), and one Mn(8) atom to form edge-sharing OMn4 tetrahedra. In the second O site, O(2) is bonded in a 3-coordinate 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 to one Mn(1), one Mn(2), one Mn(7), and one Mn(8) atom to form edge-sharing OMn4 tetrahedra. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(11), one Mn(2), and one Mn(3) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mn(4), one Mn(5), and one Mn(9) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Mn(10), one Mn(4), and one Mn(9) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mn(11), one Mn(2), and one Mn(7) atom. There are seventeen inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(7) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(7), and one Mn(8) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Mn(10), one Mn(4), and one Mn(5) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Mn(10), one Mn(11), and one Mn(3) atom. In the fifth F site, F(5) is bonded in a 4-coordinate geometry to one Mn(1), one Mn(12), one Mn(6), and one Mn(8) atom. In the sixth F site, F(6) is bonded in a trigonal non-coplanar geometry to one Mn(12), one Mn(6), and one Mn(9) 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 distorted trigonal non-coplanar geometry to one Mn(12), one Mn(6), and one Mn(8) atom. In the ninth F site, F(9) is bonded in a bent 120 degrees geometry to one Mn(7) and one Mn(8) atom. In the tenth F site, F(10) is bonded in a distorted trigonal planar geometry to one Mn(11), one Mn(3), and one Mn(4) atom. In the eleventh F site, F(11) is bonded in a 3-coordinate geometry to one Mn(5), one Mn(6), and one Mn(9) atom. In the twelfth F site, F(12) is bonded in a distorted trigonal planar geometry to one Mn(10), one Mn(3), and one Mn(4) atom. In the thirteenth F site, F(13) is bonded in a distorted T-shaped geometry to one Mn(1), one Mn(2), and one Mn(7) atom. In the fourteenth F site, F(14) is bonded in a distorted trigonal planar geometry to one Mn(12), one Mn(5), and one Mn(6) atom. In the fifteenth F site, F(15) is bonded in a distorted trigonal planar geometry to one Mn(10), one Mn(5), and one Mn(9) atom. In the sixteenth F site, F(16) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(12), and one Mn(6) atom. In the seventeenth F site, F(17) is bonded in a distorted trigonal planar geometry to one Mn(11), one Mn(3), and one Mn(7) atom.
Mn12O7F17 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(3), one F(13), one F(16), one F(2), and one F(5) atom to form distorted edge-sharing MnO2F4 octahedra. The Mn(1)-O(1) bond length is 1.93 Å. The Mn(1)-O(3) bond length is 1.98 Å. The Mn(1)-F(13) bond length is 2.14 Å. The Mn(1)-F(16) bond length is 1.93 Å. The Mn(1)-F(2) bond length is 1.96 Å. The Mn(1)-F(5) bond length is 2.30 Å. In the second Mn site, Mn(2) is bonded to one O(3), one O(4), one O(7), one F(1), and one F(13) atom to form MnO3F2 square pyramids that share corners with two equivalent Mn(11)O2F4 octahedra, corners with two equivalent Mn(3)OF5 octahedra, and  an edgeedge with one Mn(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 48-58°. The Mn(2)-O(3) bond length is 2.09 Å. The Mn(2)-O(4) bond length is 1.91 Å. The Mn(2)-O(7) bond length is 1.94 Å. The Mn(2)-F(1) bond length is 2.19 Å. The Mn(2)-F(13) bond length is 2.02 Å. In the third Mn site, Mn(3) is bonded to one O(4), one F(1), one F(10), one F(12), one F(17), and one F(4) atom to form MnOF5 octahedra that share corners with two equivalent Mn(4)O2F4 octahedra, corners with two equivalent Mn(10)OF5 octahedra, corners with two equivalent Mn(2)O3F2 square pyramids, and edges with two equivalent Mn(11)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 49-58°. The Mn(3)-O(4) bond length is 2.02 Å. The Mn(3)-F(1) bond length is 2.07 Å. The Mn(3)-F(10) bond length is 2.25 Å. The Mn(3)-F(12) bond length is 2.07 Å. The Mn(3)-F(17) bond length is 2.07 Å. The Mn(3)-F(4) bond length is 2.16 Å. In the fourth Mn site, Mn(4) is bonded to one O(5), one O(6), one F(10), one F(12), one F(3), and one F(7) atom to form distorted MnO2F4 octahedra that share corners with two equivalent Mn(11)O2F4 octahedra, corners with two equivalent Mn(5)O2F4 octahedra, corners with two equivalent Mn(9)O3F3 octahedra, corners with two equivalent Mn(3)OF5 octahedra, and edges with two equivalent Mn(10)OF5 octahedra. The corner-sharing octahedral tilt angles range from 45-58°. The Mn(4)-O(5) bond length is 1.95 Å. The Mn(4)-O(6) bond length is 1.95 Å. The Mn(4)-F(10) bond length is 2.19 Å. The Mn(4)-F(12) bond length is 2.10 Å. The Mn(4)-F(3) bond length is 2.23 Å. The Mn(4)-F(7) bond length is 2.06 Å. In the fifth Mn site, Mn(5) is bonded to one O(2), one O(5), one F(11), one F(14), one F(15), and one F(3) atom to form MnO2F4 octahedra that share corners with two equivalent Mn(4)O2F4 octahedra, corners with two equivalent Mn(10)OF5 octahedra, and edges with two equivalent Mn(9)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 40-58°. The Mn(5)-O(2) bond length is 1.92 Å. The Mn(5)-O(5) bond length is 1.90 Å. The Mn(5)-F(11) bond length is 2.27 Å. The Mn(5)-F(14) bond length is 1.95 Å. The Mn(5)-F(15) bond length is 2.03 Å. The Mn(5)-F(3) bond length is 2.16 Å. In the sixth Mn site, Mn(6) is bonded in a 8-coordinate geometry to one O(1), one O(2), one F(11), one F(14), one F(16), one F(5), one F(6), and one F(8) atom. The Mn(6)-O(1) bond length is 2.18 Å. The Mn(6)-O(2) bond length is 2.67 Å. The Mn(6)-F(11) bond length is 2.14 Å. The Mn(6)-F(14) bond length is 2.39 Å. The Mn(6)-F(16) bond length is 2.27 Å. The Mn(6)-F(5) bond length is 2.66 Å. The Mn(6)-F(6) bond length is 2.19 Å. The Mn(6)-F(8) bond length is 2.24 Å. In the seventh Mn site, Mn(7) is bonded in a 7-coordinate geometry to one O(3), one O(7), one F(1), one F(13), one F(17), one F(2), and one F(9) atom. The Mn(7)-O(3) bond length is 2.21 Å. The Mn(7)-O(7) bond length is 2.12 Å. The Mn(7)-F(1) bond length is 2.14 Å. The Mn(7)-F(13) bond length is 2.25 Å. The Mn(7)-F(17) bond length is 2.10 Å. The Mn(7)-F(2) bond length is 2.61 Å. The Mn(7)-F(9) bond length is 2.18 Å. In the eighth Mn site, Mn(8) is bonded in a 6-coordinate geometry to one O(1), one O(3), one F(2), one F(5), one F(8), and one F(9) atom. The Mn(8)-O(1) bond length is 1.93 Å. The Mn(8)-O(3) bond length is 2.02 Å. The Mn(8)-F(2) bond length is 2.37 Å. The Mn(8)-F(5) bond length is 2.08 Å. The Mn(8)-F(8) bond length is 2.12 Å. The Mn(8)-F(9) bond length is 1.90 Å. In the ninth Mn site, Mn(9) is bonded to one O(2), one O(5), one O(6), one F(11), one F(15), and one F(6) atom to form MnO3F3 octahedra that share corners with two equivalent Mn(4)O2F4 octahedra, corners with two equivalent Mn(10)OF5 octahedra, and edges with two equivalent Mn(5)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 48-62°. The Mn(9)-O(2) bond length is 1.94 Å. The Mn(9)-O(5) bond length is 1.99 Å. The Mn(9)-O(6) bond length is 1.92 Å. The Mn(9)-F(11) bond length is 2.01 Å. The Mn(9)-F(15) bond length is 2.31 Å. The Mn(9)-F(6) bond length is 2.13 Å. In the tenth Mn site, Mn(10) is bonded to one O(6), one F(12), one F(15), one F(3), one F(4), and one F(7) atom to form MnOF5 octahedra that share corners with two equivalent Mn(11)O2F4 octahedra, corners with two equivalent Mn(5)O2F4 octahedra, corners with two equivalent Mn(9)O3F3 octahedra, corners with two equivalent Mn(3)OF5 octahedra, and edges with two equivalent Mn(4)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 40-62°. The Mn(10)-O(6) bond length is 2.00 Å. The Mn(10)-F(12) bond length is 2.12 Å. The Mn(10)-F(15) bond length is 2.16 Å. The Mn(10)-F(3) bond length is 2.05 Å. The Mn(10)-F(4) bond length is 2.07 Å. The Mn(10)-F(7) bond length is 2.29 Å. In the eleventh Mn site, Mn(11) is bonded to one O(4), one O(7), one F(10), one F(17), one F(4), and one F(7) atom to form distorted MnO2F4 octahedra that share corners with two equivalent Mn(4)O2F4 octahedra, corners with two equivalent Mn(10)OF5 octahedra, corners with two equivalent Mn(2)O3F2 square pyramids, and edges with two equivalent Mn(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 45-57°. The Mn(11)-O(4) bond length is 1.95 Å. The Mn(11)-O(7) bond length is 1.90 Å. The Mn(11)-F(10) bond length is 2.05 Å. The Mn(11)-F(17) bond length is 2.21 Å. The Mn(11)-F(4) bond length is 2.12 Å. The Mn(11)-F(7) bond length is 2.25 Å. In the twelfth Mn site, Mn(12) is bonded in a 7-coordinate geometry to one O(1), one O(2), one F(14), one F(16), one F(5), one F(6), and one F(8) atom. The Mn(12)-O(1) bond length is 2.27 Å. The Mn(12)-O(2) bond length is 2.12 Å. The Mn(12)-F(14) bond length is 2.18 Å. The Mn(12)-F(16) bond length is 2.60 Å. The Mn(12)-F(5) bond length is 2.35 Å. The Mn(12)-F(6) bond length is 2.24 Å. The Mn(12)-F(8) bond length is 2.24 Å. There are seven inequivalent O sites. In the first O site, O(1) is bonded to one Mn(1), one Mn(12), one Mn(6), and one Mn(8) atom to form edge-sharing OMn4 tetrahedra. In the second O site, O(2) is bonded in a 3-coordinate 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 to one Mn(1), one Mn(2), one Mn(7), and one Mn(8) atom to form edge-sharing OMn4 tetrahedra. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(11), one Mn(2), and one Mn(3) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mn(4), one Mn(5), and one Mn(9) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Mn(10), one Mn(4), and one Mn(9) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mn(11), one Mn(2), and one Mn(7) atom. There are seventeen inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(7) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(7), and one Mn(8) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Mn(10), one Mn(4), and one Mn(5) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Mn(10), one Mn(11), and one Mn(3) atom. In the fifth F site, F(5) is bonded in a 4-coordinate geometry to one Mn(1), one Mn(12), one Mn(6), and one Mn(8) atom. In the sixth F site, F(6) is bonded in a trigonal non-coplanar geometry to one Mn(12), one Mn(6), and one Mn(9) 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 distorted trigonal non-coplanar geometry to one Mn(12), one Mn(6), and one Mn(8) atom. In the ninth F site, F(9) is bonded in a bent 120 degrees geometry to one Mn(7) and one Mn(8) atom. In the tenth F site, F(10) is bonded in a distorted trigonal planar geometry to one Mn(11), one Mn(3), and one Mn(4) atom. In the eleventh F site, F(11) is bonded in a 3-coordinate geometry to one Mn(5), one Mn(6), and one Mn(9) atom. In the twelfth F site, F(12) is bonded in a distorted trigonal planar geometry to one Mn(10), one Mn(3), and one Mn(4) atom. In the thirteenth F site, F(13) is bonded in a distorted T-shaped geometry to one Mn(1), one Mn(2), and one Mn(7) atom. In the fourteenth F site, F(14) is bonded in a distorted trigonal planar geometry to one Mn(12), one Mn(5), and one Mn(6) atom. In the fifteenth F site, F(15) is bonded in a distorted trigonal planar geometry to one Mn(10), one Mn(5), and one Mn(9) atom. In the sixteenth F site, F(16) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(12), and one Mn(6) atom. In the seventeenth F site, F(17) is bonded in a distorted trigonal planar geometry to one Mn(11), one Mn(3), and one Mn(7) atom.