Mn3OF5 is Hydrophilite-derived structured and crystallizes in the monoclinic P2/m space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent F(4) and four equivalent F(3) atoms to form MnF6 octahedra that share corners with eight equivalent Mn(3)O2F4 octahedra and edges with two equivalent Mn(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the second Mn site, Mn(2) is bonded to one O(1), one F(5), two equivalent F(1), and two equivalent F(2) atoms to form MnOF5 octahedra that share corners with four equivalent Mn(4)F6 octahedra, corners with four equivalent Mn(3)O2F4 octahedra, and edges with two equivalent Mn(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 49-53°. In the third Mn site, Mn(3) is bonded to two equivalent O(1), one F(1), one F(3), and two equivalent F(4) atoms to form MnO2F4 octahedra that share corners with four equivalent Mn(1)F6 octahedra, corners with four equivalent Mn(2)OF5 octahedra, and edges with two equivalent Mn(3)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 49-53°. In the fourth Mn site, Mn(4) is bonded to two equivalent F(2) and four equivalent F(5) atoms to form MnF6 octahedra that share corners with eight equivalent Mn(2)OF5 octahedra and edges with two equivalent Mn(4)F6 octahedra. The corner-sharing octahedral tilt angles are 49°. O(1) is bonded in a trigonal planar geometry to one Mn(2) and two equivalent Mn(3) atoms. There are five inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Mn(3) and two equivalent Mn(2) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Mn(4) and two equivalent Mn(2) atoms. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Mn(3) and two equivalent Mn(1) atoms. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Mn(1) and two equivalent Mn(3) atoms. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Mn(2) and two equivalent Mn(4) atoms.
Mn3OF5 is Hydrophilite-derived structured and crystallizes in the monoclinic P2/m space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent F(4) and four equivalent F(3) atoms to form MnF6 octahedra that share corners with eight equivalent Mn(3)O2F4 octahedra and edges with two equivalent Mn(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. Both Mn(1)-F(4) bond lengths are 2.19 Å. All Mn(1)-F(3) bond lengths are 2.12 Å. In the second Mn site, Mn(2) is bonded to one O(1), one F(5), two equivalent F(1), and two equivalent F(2) atoms to form MnOF5 octahedra that share corners with four equivalent Mn(4)F6 octahedra, corners with four equivalent Mn(3)O2F4 octahedra, and edges with two equivalent Mn(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 49-53°. The Mn(2)-O(1) bond length is 1.95 Å. The Mn(2)-F(5) bond length is 2.11 Å. Both Mn(2)-F(1) bond lengths are 2.11 Å. Both Mn(2)-F(2) bond lengths are 2.15 Å. In the third Mn site, Mn(3) is bonded to two equivalent O(1), one F(1), one F(3), and two equivalent F(4) atoms to form MnO2F4 octahedra that share corners with four equivalent Mn(1)F6 octahedra, corners with four equivalent Mn(2)OF5 octahedra, and edges with two equivalent Mn(3)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 49-53°. Both Mn(3)-O(1) bond lengths are 2.01 Å. The Mn(3)-F(1) bond length is 2.21 Å. The Mn(3)-F(3) bond length is 2.20 Å. Both Mn(3)-F(4) bond lengths are 2.13 Å. In the fourth Mn site, Mn(4) is bonded to two equivalent F(2) and four equivalent F(5) atoms to form MnF6 octahedra that share corners with eight equivalent Mn(2)OF5 octahedra and edges with two equivalent Mn(4)F6 octahedra. The corner-sharing octahedral tilt angles are 49°. Both Mn(4)-F(2) bond lengths are 2.15 Å. All Mn(4)-F(5) bond lengths are 2.15 Å. O(1) is bonded in a trigonal planar geometry to one Mn(2) and two equivalent Mn(3) atoms. There are five inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Mn(3) and two equivalent Mn(2) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Mn(4) and two equivalent Mn(2) atoms. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Mn(3) and two equivalent Mn(1) atoms. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Mn(1) and two equivalent Mn(3) atoms. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Mn(2) and two equivalent Mn(4) atoms.