Mn2OF3 is Hydrophilite-derived structured and crystallizes in the orthorhombic Cmcm space group. There are three 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(2)O2F4 octahedra, corners with four equivalent Mn(3)O2F4 octahedra, and edges with two equivalent Mn(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 45-54°. In the second Mn site, Mn(2) 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 eight equivalent Mn(1)OF5 octahedra and edges with two equivalent Mn(3)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 45-54°. In the third Mn site, Mn(3) is bonded to two equivalent O(1), two equivalent F(2), and two equivalent F(3) atoms to form MnO2F4 octahedra that share corners with eight equivalent Mn(1)OF5 octahedra and edges with two equivalent Mn(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 48-54°. O(1) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Mn(2) and two equivalent Mn(1) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Mn(3) and two equivalent Mn(1) atoms. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(3) atom.
Mn2OF3 is Hydrophilite-derived structured and crystallizes in the orthorhombic Cmcm space group. There are three 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(2)O2F4 octahedra, corners with four equivalent Mn(3)O2F4 octahedra, and edges with two equivalent Mn(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 45-54°. The Mn(1)-O(1) bond length is 1.99 Å. The Mn(1)-F(3) bond length is 2.14 Å. Both Mn(1)-F(1) bond lengths are 2.10 Å. Both Mn(1)-F(2) bond lengths are 2.14 Å. In the second Mn site, Mn(2) 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 eight equivalent Mn(1)OF5 octahedra and edges with two equivalent Mn(3)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 45-54°. Both Mn(2)-O(1) bond lengths are 1.96 Å. Both Mn(2)-F(1) bond lengths are 2.17 Å. Both Mn(2)-F(3) bond lengths are 2.07 Å. In the third Mn site, Mn(3) is bonded to two equivalent O(1), two equivalent F(2), and two equivalent F(3) atoms to form MnO2F4 octahedra that share corners with eight equivalent Mn(1)OF5 octahedra and edges with two equivalent Mn(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 48-54°. Both Mn(3)-O(1) bond lengths are 1.96 Å. Both Mn(3)-F(2) bond lengths are 2.13 Å. Both Mn(3)-F(3) bond lengths are 2.18 Å. O(1) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Mn(2) and two equivalent Mn(1) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Mn(3) and two equivalent Mn(1) atoms. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(3) atom.