Mn2OF3 is Hydrophilite-derived structured and crystallizes in the orthorhombic Cmmm space group. There are five inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms to form MnO2F4 octahedra that share corners with two equivalent Mn(4)F6 octahedra, corners with two equivalent Mn(3)O2F4 octahedra, corners with four equivalent Mn(2)OF5 octahedra, and edges with two equivalent Mn(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 45-53°. In the second Mn site, Mn(2) is bonded to one O(1), one F(1), and four equivalent F(3) atoms to form MnOF5 octahedra that share corners with four equivalent Mn(1)O2F4 octahedra, corners with four equivalent Mn(5)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(2) and four equivalent F(2) atoms to form MnO2F4 octahedra that share corners with four equivalent Mn(1)O2F4 octahedra, corners with four equivalent Mn(5)O2F4 octahedra, and edges with two equivalent Mn(4)F6 octahedra. The corner-sharing octahedral tilt angles range from 45-51°. In the fourth Mn site, Mn(4) is bonded to two equivalent F(4) and four equivalent F(2) atoms to form a mixture of edge and corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. In the fifth Mn site, Mn(5) is bonded to two O(2,2); two equivalent F(3); and two F(4,4) atoms to form MnO2F4 octahedra that share corners with two equivalent Mn(4)F6 octahedra, corners with two equivalent Mn(3)O2F4 octahedra, corners with four equivalent Mn(2)OF5 octahedra, and edges with two equivalent Mn(5)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mn(2) and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(3) and two equivalent Mn(5) atoms. In the third O site, O(2) is bonded in a trigonal planar geometry to one Mn(3) and two equivalent Mn(5) atoms. There are five inequivalent F sites. In the first F site, F(4) is bonded in a trigonal planar geometry to one Mn(4) and two equivalent Mn(5) atoms. In the second F site, F(1) is bonded in a trigonal planar geometry to one Mn(2) and two equivalent Mn(1) atoms. In the third F site, F(2) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(4) atom. In the fourth F site, F(3) is bonded in a distorted trigonal planar geometry to one Mn(5) and two equivalent Mn(2) atoms. In the fifth F site, F(4) is bonded in a trigonal planar geometry to one Mn(4) and two equivalent Mn(5) atoms.
Mn2OF3 is Hydrophilite-derived structured and crystallizes in the orthorhombic Cmmm space group. There are five inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms to form MnO2F4 octahedra that share corners with two equivalent Mn(4)F6 octahedra, corners with two equivalent Mn(3)O2F4 octahedra, corners with four equivalent Mn(2)OF5 octahedra, and edges with two equivalent Mn(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 45-53°. Both Mn(1)-O(1) bond lengths are 1.95 Å. Both Mn(1)-F(1) bond lengths are 2.11 Å. Both Mn(1)-F(2) bond lengths are 2.18 Å. In the second Mn site, Mn(2) is bonded to one O(1), one F(1), and four equivalent F(3) atoms to form MnOF5 octahedra that share corners with four equivalent Mn(1)O2F4 octahedra, corners with four equivalent Mn(5)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 2.00 Å. The Mn(2)-F(1) bond length is 2.16 Å. All Mn(2)-F(3) bond lengths are 2.13 Å. In the third Mn site, Mn(3) is bonded to two equivalent O(2) and four equivalent F(2) atoms to form MnO2F4 octahedra that share corners with four equivalent Mn(1)O2F4 octahedra, corners with four equivalent Mn(5)O2F4 octahedra, and edges with two equivalent Mn(4)F6 octahedra. The corner-sharing octahedral tilt angles range from 45-51°. Both Mn(3)-O(2) bond lengths are 2.06 Å. All Mn(3)-F(2) bond lengths are 2.08 Å. In the fourth Mn site, Mn(4) is bonded to two equivalent F(4) and four equivalent F(2) atoms to form a mixture of edge and corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. Both Mn(4)-F(4) bond lengths are 2.04 Å. All Mn(4)-F(2) bond lengths are 2.15 Å. In the fifth Mn site, Mn(5) is bonded to two O(2,2); two equivalent F(3); and two F(4,4) atoms to form MnO2F4 octahedra that share corners with two equivalent Mn(4)F6 octahedra, corners with two equivalent Mn(3)O2F4 octahedra, corners with four equivalent Mn(2)OF5 octahedra, and edges with two equivalent Mn(5)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. Both Mn(5)-O(2,2) bond lengths are 2.04 Å. Both Mn(5)-F(3) bond lengths are 2.16 Å. Both Mn(5)-F(4,4) bond lengths are 2.06 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mn(2) and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(3) and two equivalent Mn(5) atoms. In the third O site, O(2) is bonded in a trigonal planar geometry to one Mn(3) and two equivalent Mn(5) atoms. The O(2)-Mn(3) bond length is 2.06 Å. There are five inequivalent F sites. In the first F site, F(4) is bonded in a trigonal planar geometry to one Mn(4) and two equivalent Mn(5) atoms. The F(4)-Mn(4) bond length is 2.04 Å. In the second F site, F(1) is bonded in a trigonal planar geometry to one Mn(2) and two equivalent Mn(1) atoms. In the third F site, F(2) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(4) atom. In the fourth F site, F(3) is bonded in a distorted trigonal planar geometry to one Mn(5) and two equivalent Mn(2) atoms. In the fifth F site, F(4) is bonded in a trigonal planar geometry to one Mn(4) and two equivalent Mn(5) atoms.