Mn6O5F7 is Hydrophilite-derived structured and crystallizes in the monoclinic Pm space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(4), two equivalent F(1), and two equivalent F(3) atoms to form MnO2F4 octahedra that share corners with eight equivalent Mn(3)O3F3 octahedra and edges with two equivalent Mn(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 49-56°. In the second Mn site, Mn(2) is bonded to one O(1), one O(3), one F(1), one F(2), one F(3), and one F(4) atom to form MnO2F4 octahedra that share corners with four equivalent Mn(3)O3F3 octahedra, corners with four equivalent Mn(4)O3F3 octahedra,  an edgeedge with one Mn(1)O2F4 octahedra, and  an edgeedge with one Mn(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 44-60°. In the third Mn site, Mn(3) is bonded to one O(2), one O(3), one O(4), one F(1), one F(2), and one F(3) atom to form MnO3F3 octahedra that share corners with four equivalent Mn(1)O2F4 octahedra, corners with four equivalent Mn(2)O2F4 octahedra,  an edgeedge with one Mn(3)O3F3 octahedra, and  an edgeedge with one Mn(4)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 45-56°. In the fourth Mn site, Mn(4) is bonded to one O(1), two equivalent O(3), one F(4), and two equivalent F(2) atoms to form MnO3F3 octahedra that share corners with eight equivalent Mn(2)O2F4 octahedra and edges with two equivalent Mn(3)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 44-60°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mn(4) and two equivalent Mn(2) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mn(1) and two equivalent Mn(3) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(4) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mn(1) and two equivalent Mn(3) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(4) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one Mn(4) and two equivalent Mn(2) atoms.
Mn6O5F7 is Hydrophilite-derived structured and crystallizes in the monoclinic Pm space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(4), two equivalent F(1), and two equivalent F(3) atoms to form MnO2F4 octahedra that share corners with eight equivalent Mn(3)O3F3 octahedra and edges with two equivalent Mn(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 49-56°. The Mn(1)-O(2) bond length is 1.90 Å. The Mn(1)-O(4) bond length is 1.91 Å. Both Mn(1)-F(1) bond lengths are 2.02 Å. Both Mn(1)-F(3) bond lengths are 2.08 Å. In the second Mn site, Mn(2) is bonded to one O(1), one O(3), one F(1), one F(2), one F(3), and one F(4) atom to form MnO2F4 octahedra that share corners with four equivalent Mn(3)O3F3 octahedra, corners with four equivalent Mn(4)O3F3 octahedra,  an edgeedge with one Mn(1)O2F4 octahedra, and  an edgeedge with one Mn(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 44-60°. The Mn(2)-O(1) bond length is 1.90 Å. The Mn(2)-O(3) bond length is 1.85 Å. The Mn(2)-F(1) bond length is 2.10 Å. The Mn(2)-F(2) bond length is 1.98 Å. The Mn(2)-F(3) bond length is 2.01 Å. The Mn(2)-F(4) bond length is 2.16 Å. In the third Mn site, Mn(3) is bonded to one O(2), one O(3), one O(4), one F(1), one F(2), and one F(3) atom to form MnO3F3 octahedra that share corners with four equivalent Mn(1)O2F4 octahedra, corners with four equivalent Mn(2)O2F4 octahedra,  an edgeedge with one Mn(3)O3F3 octahedra, and  an edgeedge with one Mn(4)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 45-56°. The Mn(3)-O(2) bond length is 1.93 Å. The Mn(3)-O(3) bond length is 1.92 Å. The Mn(3)-O(4) bond length is 1.94 Å. The Mn(3)-F(1) bond length is 2.09 Å. The Mn(3)-F(2) bond length is 2.11 Å. The Mn(3)-F(3) bond length is 2.14 Å. In the fourth Mn site, Mn(4) is bonded to one O(1), two equivalent O(3), one F(4), and two equivalent F(2) atoms to form MnO3F3 octahedra that share corners with eight equivalent Mn(2)O2F4 octahedra and edges with two equivalent Mn(3)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 44-60°. The Mn(4)-O(1) bond length is 2.00 Å. Both Mn(4)-O(3) bond lengths are 1.96 Å. The Mn(4)-F(4) bond length is 2.09 Å. Both Mn(4)-F(2) bond lengths are 2.15 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mn(4) and two equivalent Mn(2) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mn(1) and two equivalent Mn(3) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(4) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mn(1) and two equivalent Mn(3) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(4) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one Mn(4) and two equivalent Mn(2) atoms.