Mn3OF5 is Hydrophilite-derived structured and crystallizes in the monoclinic C2/m space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one F(3), two equivalent F(1), and two equivalent F(2) atoms to form MnOF5 octahedra that share corners with four equivalent Mn(4)O2F4 octahedra, corners with four equivalent Mn(3)OF5 octahedra,  an edgeedge with one Mn(2)F6 octahedra, and  an edgeedge with one Mn(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 46-56°. In the second Mn site, Mn(2) is bonded to two equivalent F(4) and four equivalent F(2) atoms to form a mixture of corner and edge-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles range from 48-57°. In the third Mn site, Mn(3) is bonded to one O(1), one F(3), two equivalent F(2), and two equivalent F(4) atoms to form MnOF5 octahedra that share corners with four equivalent Mn(2)F6 octahedra, corners with four equivalent Mn(1)OF5 octahedra,  an edgeedge with one Mn(4)O2F4 octahedra, and  an edgeedge with one Mn(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 47-57°. In the fourth Mn site, Mn(4) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(3) atoms to form a mixture of corner and edge-sharing MnO2F4 octahedra. The corner-sharing octahedral tilt angles range from 46-51°. O(1) is bonded in a trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(4) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Mn(4) and two equivalent Mn(1) atoms. In the second F site, F(2) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the third F site, F(3) is bonded in a distorted T-shaped geometry to one Mn(1), 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(2) and two equivalent Mn(3) atoms.
Mn3OF5 is Hydrophilite-derived structured and crystallizes in the monoclinic C2/m space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one F(3), two equivalent F(1), and two equivalent F(2) atoms to form MnOF5 octahedra that share corners with four equivalent Mn(4)O2F4 octahedra, corners with four equivalent Mn(3)OF5 octahedra,  an edgeedge with one Mn(2)F6 octahedra, and  an edgeedge with one Mn(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 46-56°. The Mn(1)-O(1) bond length is 2.00 Å. The Mn(1)-F(3) bond length is 2.12 Å. Both Mn(1)-F(1) bond lengths are 2.15 Å. Both Mn(1)-F(2) bond lengths are 2.15 Å. In the second Mn site, Mn(2) is bonded to two equivalent F(4) and four equivalent F(2) atoms to form a mixture of corner and edge-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles range from 48-57°. Both Mn(2)-F(4) bond lengths are 2.11 Å. All Mn(2)-F(2) bond lengths are 2.15 Å. In the third Mn site, Mn(3) is bonded to one O(1), one F(3), two equivalent F(2), and two equivalent F(4) atoms to form MnOF5 octahedra that share corners with four equivalent Mn(2)F6 octahedra, corners with four equivalent Mn(1)OF5 octahedra,  an edgeedge with one Mn(4)O2F4 octahedra, and  an edgeedge with one Mn(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 47-57°. The Mn(3)-O(1) bond length is 2.00 Å. The Mn(3)-F(3) bond length is 2.18 Å. Both Mn(3)-F(2) bond lengths are 2.13 Å. There is one shorter (2.13 Å) and one longer (2.19 Å) Mn(3)-F(4) bond length. In the fourth Mn site, Mn(4) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(3) atoms to form a mixture of corner and edge-sharing MnO2F4 octahedra. The corner-sharing octahedral tilt angles range from 46-51°. Both Mn(4)-O(1) bond lengths are 1.92 Å. Both Mn(4)-F(1) bond lengths are 2.08 Å. Both Mn(4)-F(3) bond lengths are 2.18 Å. O(1) is bonded in a trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(4) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Mn(4) and two equivalent Mn(1) atoms. In the second F site, F(2) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the third F site, F(3) is bonded in a distorted T-shaped geometry to one Mn(1), 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(2) and two equivalent Mn(3) atoms.