Mn6O5F7 is Hydrophilite-derived structured and crystallizes in the monoclinic C2 space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(4) atoms to form MnO2F4 octahedra that share corners with two equivalent Mn(3)O3F3 octahedra, corners with six equivalent Mn(2)O3F3 octahedra, and edges with two equivalent Mn(4)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 50-58°. In the second Mn site, Mn(2) is bonded to one O(1), two equivalent O(2), one F(1), one F(3), and one F(4) atom to form MnO3F3 octahedra that share corners with three equivalent Mn(1)O2F4 octahedra, corners with five equivalent Mn(4)O2F4 octahedra,  an edgeedge with one Mn(2)O3F3 octahedra, and  an edgeedge with one Mn(3)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 46-58°. In the third Mn site, Mn(3) is bonded to one O(3), two equivalent O(1), one F(2), and two equivalent F(3) atoms to form MnO3F3 octahedra that share corners with two equivalent Mn(1)O2F4 octahedra, corners with six equivalent Mn(4)O2F4 octahedra, and edges with two equivalent Mn(2)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 43-53°. In the fourth Mn site, Mn(4) is bonded to one O(2), 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 three equivalent Mn(3)O3F3 octahedra, corners with five equivalent Mn(2)O3F3 octahedra,  an edgeedge with one Mn(1)O2F4 octahedra, and  an edgeedge with one Mn(4)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 43-53°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(4) and two equivalent Mn(2) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(3) and two equivalent Mn(4) 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(4) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Mn(3) and two equivalent Mn(4) atoms. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(4) atom. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(4) atom.
Mn6O5F7 is Hydrophilite-derived structured and crystallizes in the monoclinic C2 space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(4) atoms to form MnO2F4 octahedra that share corners with two equivalent Mn(3)O3F3 octahedra, corners with six equivalent Mn(2)O3F3 octahedra, and edges with two equivalent Mn(4)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 50-58°. Both Mn(1)-O(1) bond lengths are 1.97 Å. Both Mn(1)-F(1) bond lengths are 2.11 Å. Both Mn(1)-F(4) bond lengths are 2.08 Å. In the second Mn site, Mn(2) is bonded to one O(1), two equivalent O(2), one F(1), one F(3), and one F(4) atom to form MnO3F3 octahedra that share corners with three equivalent Mn(1)O2F4 octahedra, corners with five equivalent Mn(4)O2F4 octahedra,  an edgeedge with one Mn(2)O3F3 octahedra, and  an edgeedge with one Mn(3)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 46-58°. The Mn(2)-O(1) bond length is 1.97 Å. There is one shorter (1.96 Å) and one longer (1.98 Å) Mn(2)-O(2) bond length. The Mn(2)-F(1) bond length is 2.23 Å. The Mn(2)-F(3) bond length is 2.06 Å. The Mn(2)-F(4) bond length is 2.17 Å. In the third Mn site, Mn(3) is bonded to one O(3), two equivalent O(1), one F(2), and two equivalent F(3) atoms to form MnO3F3 octahedra that share corners with two equivalent Mn(1)O2F4 octahedra, corners with six equivalent Mn(4)O2F4 octahedra, and edges with two equivalent Mn(2)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 43-53°. The Mn(3)-O(3) bond length is 2.05 Å. Both Mn(3)-O(1) bond lengths are 2.05 Å. The Mn(3)-F(2) bond length is 2.11 Å. Both Mn(3)-F(3) bond lengths are 2.17 Å. In the fourth Mn site, Mn(4) is bonded to one O(2), 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 three equivalent Mn(3)O3F3 octahedra, corners with five equivalent Mn(2)O3F3 octahedra,  an edgeedge with one Mn(1)O2F4 octahedra, and  an edgeedge with one Mn(4)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 43-53°. The Mn(4)-O(2) bond length is 1.88 Å. The Mn(4)-O(3) bond length is 1.92 Å. The Mn(4)-F(1) bond length is 2.05 Å. The Mn(4)-F(2) bond length is 2.18 Å. The Mn(4)-F(3) bond length is 2.02 Å. The Mn(4)-F(4) bond length is 2.12 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(4) and two equivalent Mn(2) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(3) and two equivalent Mn(4) 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(4) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Mn(3) and two equivalent Mn(4) atoms. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(4) atom. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(4) atom.