Mn3OF5 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 F(2), one F(3), one F(4), and two equivalent F(5) atoms to form MnOF5 octahedra that share corners with two equivalent Mn(4)O2F4 octahedra, corners with six equivalent Mn(3)F6 octahedra,  an edgeedge with one Mn(2)O2F4 octahedra, and  an edgeedge with one Mn(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 44-65°. In the second Mn site, Mn(2) 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 four equivalent Mn(3)F6 octahedra, corners with four equivalent Mn(4)O2F4 octahedra, and edges with two equivalent Mn(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 44-51°. In the third Mn site, Mn(3) is bonded to one F(1), one F(3), one F(4), one F(5), and two equivalent F(2) atoms to form MnF6 octahedra that share corners with two equivalent Mn(2)O2F4 octahedra, corners with six equivalent Mn(1)OF5 octahedra,  an edgeedge with one Mn(3)F6 octahedra, and  an edgeedge with one Mn(4)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 44-65°. 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 MnO2F4 octahedra that share corners with four equivalent Mn(2)O2F4 octahedra, corners with four equivalent Mn(1)OF5 octahedra, and edges with two equivalent Mn(3)F6 octahedra. The corner-sharing octahedral tilt angles range from 44-59°. O(1) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(4) atom. There are five 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(4) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Mn(1) and two equivalent Mn(3) atoms. In the third F site, F(3) is bonded in a trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(4) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one Mn(3) and two equivalent Mn(1) atoms.
Mn3OF5 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 F(2), one F(3), one F(4), and two equivalent F(5) atoms to form MnOF5 octahedra that share corners with two equivalent Mn(4)O2F4 octahedra, corners with six equivalent Mn(3)F6 octahedra,  an edgeedge with one Mn(2)O2F4 octahedra, and  an edgeedge with one Mn(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 44-65°. The Mn(1)-O(1) bond length is 2.06 Å. The Mn(1)-F(2) bond length is 2.14 Å. The Mn(1)-F(3) bond length is 2.16 Å. The Mn(1)-F(4) bond length is 2.17 Å. There is one shorter (2.11 Å) and one longer (2.20 Å) Mn(1)-F(5) bond length. In the second Mn site, Mn(2) 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 four equivalent Mn(3)F6 octahedra, corners with four equivalent Mn(4)O2F4 octahedra, and edges with two equivalent Mn(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 44-51°. Both Mn(2)-O(1) bond lengths are 1.99 Å. Both Mn(2)-F(1) bond lengths are 2.16 Å. Both Mn(2)-F(4) bond lengths are 2.05 Å. In the third Mn site, Mn(3) is bonded to one F(1), one F(3), one F(4), one F(5), and two equivalent F(2) atoms to form MnF6 octahedra that share corners with two equivalent Mn(2)O2F4 octahedra, corners with six equivalent Mn(1)OF5 octahedra,  an edgeedge with one Mn(3)F6 octahedra, and  an edgeedge with one Mn(4)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 44-65°. The Mn(3)-F(1) bond length is 2.16 Å. The Mn(3)-F(3) bond length is 2.17 Å. The Mn(3)-F(4) bond length is 2.09 Å. The Mn(3)-F(5) bond length is 2.07 Å. There is one shorter (2.13 Å) and one longer (2.14 Å) Mn(3)-F(2) 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 MnO2F4 octahedra that share corners with four equivalent Mn(2)O2F4 octahedra, corners with four equivalent Mn(1)OF5 octahedra, and edges with two equivalent Mn(3)F6 octahedra. The corner-sharing octahedral tilt angles range from 44-59°. Both Mn(4)-O(1) bond lengths are 1.99 Å. Both Mn(4)-F(1) bond lengths are 2.12 Å. Both Mn(4)-F(3) bond lengths are 2.12 Å. O(1) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(4) atom. There are five 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(4) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Mn(1) and two equivalent Mn(3) atoms. In the third F site, F(3) is bonded in a trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(4) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one Mn(3) and two equivalent Mn(1) atoms.