Mn3O5F is Hydrophilite-derived structured and crystallizes in the triclinic P-1 space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(3), one O(4), two equivalent O(5), and one F(1) atom to form MnO5F octahedra that share corners with three equivalent Mn(4)O6 octahedra, corners with five equivalent Mn(2)O5F octahedra,  an edgeedge with one Mn(3)O4F2 octahedra, and  an edgeedge with one Mn(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 44-53°. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(4), two equivalent O(3), and one F(1) atom to form MnO5F octahedra that share corners with three equivalent Mn(3)O4F2 octahedra, corners with five equivalent Mn(1)O5F octahedra,  an edgeedge with one Mn(2)O5F octahedra, and  an edgeedge with one Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-53°. In the third Mn site, Mn(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent F(1) atoms to form MnO4F2 octahedra that share corners with two equivalent Mn(4)O6 octahedra, corners with six equivalent Mn(2)O5F octahedra, and edges with two equivalent Mn(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 50-52°. In the fourth Mn site, Mn(4) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with two equivalent Mn(3)O4F2 octahedra, corners with six equivalent Mn(1)O5F octahedra, and edges with two equivalent Mn(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 46-51°. There are five 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(2), one Mn(3), and one Mn(4) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(1) and two equivalent Mn(2) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(4) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mn(4) and two equivalent Mn(1) atoms. F(1) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(3) atom.
Mn3O5F is Hydrophilite-derived structured and crystallizes in the triclinic P-1 space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(3), one O(4), two equivalent O(5), and one F(1) atom to form MnO5F octahedra that share corners with three equivalent Mn(4)O6 octahedra, corners with five equivalent Mn(2)O5F octahedra,  an edgeedge with one Mn(3)O4F2 octahedra, and  an edgeedge with one Mn(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 44-53°. The Mn(1)-O(1) bond length is 1.94 Å. The Mn(1)-O(3) bond length is 1.94 Å. The Mn(1)-O(4) bond length is 1.93 Å. There is one shorter (1.88 Å) and one longer (1.94 Å) Mn(1)-O(5) bond length. The Mn(1)-F(1) bond length is 2.03 Å. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(4), two equivalent O(3), and one F(1) atom to form MnO5F octahedra that share corners with three equivalent Mn(3)O4F2 octahedra, corners with five equivalent Mn(1)O5F octahedra,  an edgeedge with one Mn(2)O5F octahedra, and  an edgeedge with one Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-53°. The Mn(2)-O(1) bond length is 1.88 Å. The Mn(2)-O(2) bond length is 1.93 Å. The Mn(2)-O(4) bond length is 1.93 Å. There is one shorter (1.94 Å) and one longer (1.95 Å) Mn(2)-O(3) bond length. The Mn(2)-F(1) bond length is 2.07 Å. In the third Mn site, Mn(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent F(1) atoms to form MnO4F2 octahedra that share corners with two equivalent Mn(4)O6 octahedra, corners with six equivalent Mn(2)O5F octahedra, and edges with two equivalent Mn(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 50-52°. Both Mn(3)-O(1) bond lengths are 1.95 Å. Both Mn(3)-O(2) bond lengths are 1.94 Å. Both Mn(3)-F(1) bond lengths are 2.11 Å. In the fourth Mn site, Mn(4) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with two equivalent Mn(3)O4F2 octahedra, corners with six equivalent Mn(1)O5F octahedra, and edges with two equivalent Mn(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 46-51°. Both Mn(4)-O(2) bond lengths are 1.94 Å. Both Mn(4)-O(4) bond lengths are 1.95 Å. Both Mn(4)-O(5) bond lengths are 2.02 Å. There are five 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(2), one Mn(3), and one Mn(4) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(1) and two equivalent Mn(2) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(4) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mn(4) and two equivalent Mn(1) atoms. F(1) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(3) atom.