Mn2OF3 is Hydrophilite-derived structured and crystallizes in the orthorhombic Amm2 space group. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one F(5), two equivalent F(1), and two equivalent F(3) atoms to form MnOF5 octahedra that share corners with four equivalent Mn(4)O2F4 octahedra, corners with four equivalent Mn(6)O2F4 octahedra,  an edgeedge with one Mn(2)OF5 octahedra, and  an edgeedge with one Mn(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 44-56°. In the second Mn site, Mn(2) is bonded to one O(3), one F(4), two equivalent F(1), and two equivalent F(2) atoms to form MnOF5 octahedra that share corners with four equivalent Mn(5)O2F4 octahedra, corners with four equivalent Mn(6)O2F4 octahedra,  an edgeedge with one Mn(1)OF5 octahedra, and  an edgeedge with one Mn(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 45-54°. In the third Mn site, Mn(3) is bonded to one O(2), one F(6), and four equivalent F(3) atoms to form MnOF5 octahedra that share corners with eight equivalent Mn(4)O2F4 octahedra and edges with two equivalent Mn(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 48-53°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(2), one F(5), one F(6), and two equivalent F(3) atoms to form MnO2F4 octahedra that share corners with four equivalent Mn(1)OF5 octahedra, corners with four equivalent Mn(3)OF5 octahedra,  an edgeedge with one Mn(4)O2F4 octahedra, and  an edgeedge with one Mn(6)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 44-56°. In the fifth Mn site, Mn(5) is bonded to two equivalent O(3), two equivalent F(2), and two equivalent F(4) atoms to form MnO2F4 octahedra that share corners with eight equivalent Mn(2)OF5 octahedra and edges with two equivalent Mn(6)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 45-54°. In the sixth Mn site, Mn(6) is bonded to one O(1), one O(3), one F(4), one F(5), and two equivalent F(1) atoms to form MnO2F4 octahedra that share corners with four equivalent Mn(1)OF5 octahedra, corners with four equivalent Mn(2)OF5 octahedra,  an edgeedge with one Mn(4)O2F4 octahedra, and  an edgeedge with one Mn(5)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 48-54°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mn(1), one Mn(4), and one Mn(6) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(3) and two equivalent Mn(4) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(2), one Mn(5), and one Mn(6) atom. There are six inequivalent F sites. In the first F site, F(3) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(4) atom. In the second F site, F(4) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(5), and one Mn(6) atom. In the third F site, F(5) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(4), and one Mn(6) atom. In the fourth F site, F(6) is bonded in a distorted trigonal planar geometry to one Mn(3) and two equivalent Mn(4) atoms. In the fifth F site, F(1) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(6) atom. In the sixth F site, F(2) is bonded in a distorted trigonal planar geometry to one Mn(5) and two equivalent Mn(2) atoms.
Mn2OF3 is Hydrophilite-derived structured and crystallizes in the orthorhombic Amm2 space group. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one F(5), two equivalent F(1), and two equivalent F(3) atoms to form MnOF5 octahedra that share corners with four equivalent Mn(4)O2F4 octahedra, corners with four equivalent Mn(6)O2F4 octahedra,  an edgeedge with one Mn(2)OF5 octahedra, and  an edgeedge with one Mn(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 44-56°. The Mn(1)-O(1) bond length is 1.98 Å. The Mn(1)-F(5) bond length is 2.12 Å. Both Mn(1)-F(1) bond lengths are 2.14 Å. Both Mn(1)-F(3) bond lengths are 2.12 Å. In the second Mn site, Mn(2) is bonded to one O(3), one F(4), two equivalent F(1), and two equivalent F(2) atoms to form MnOF5 octahedra that share corners with four equivalent Mn(5)O2F4 octahedra, corners with four equivalent Mn(6)O2F4 octahedra,  an edgeedge with one Mn(1)OF5 octahedra, and  an edgeedge with one Mn(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 45-54°. The Mn(2)-O(3) bond length is 1.98 Å. The Mn(2)-F(4) bond length is 2.13 Å. Both Mn(2)-F(1) bond lengths are 2.15 Å. Both Mn(2)-F(2) bond lengths are 2.11 Å. In the third Mn site, Mn(3) is bonded to one O(2), one F(6), and four equivalent F(3) atoms to form MnOF5 octahedra that share corners with eight equivalent Mn(4)O2F4 octahedra and edges with two equivalent Mn(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 48-53°. The Mn(3)-O(2) bond length is 1.95 Å. The Mn(3)-F(6) bond length is 2.12 Å. All Mn(3)-F(3) bond lengths are 2.09 Å. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(2), one F(5), one F(6), and two equivalent F(3) atoms to form MnO2F4 octahedra that share corners with four equivalent Mn(1)OF5 octahedra, corners with four equivalent Mn(3)OF5 octahedra,  an edgeedge with one Mn(4)O2F4 octahedra, and  an edgeedge with one Mn(6)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 44-56°. The Mn(4)-O(1) bond length is 1.98 Å. The Mn(4)-O(2) bond length is 1.99 Å. The Mn(4)-F(5) bond length is 2.11 Å. The Mn(4)-F(6) bond length is 2.15 Å. Both Mn(4)-F(3) bond lengths are 2.19 Å. In the fifth Mn site, Mn(5) is bonded to two equivalent O(3), two equivalent F(2), and two equivalent F(4) atoms to form MnO2F4 octahedra that share corners with eight equivalent Mn(2)OF5 octahedra and edges with two equivalent Mn(6)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 45-54°. Both Mn(5)-O(3) bond lengths are 1.97 Å. Both Mn(5)-F(2) bond lengths are 2.18 Å. Both Mn(5)-F(4) bond lengths are 2.07 Å. In the sixth Mn site, Mn(6) is bonded to one O(1), one O(3), one F(4), one F(5), and two equivalent F(1) atoms to form MnO2F4 octahedra that share corners with four equivalent Mn(1)OF5 octahedra, corners with four equivalent Mn(2)OF5 octahedra,  an edgeedge with one Mn(4)O2F4 octahedra, and  an edgeedge with one Mn(5)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 48-54°. The Mn(6)-O(1) bond length is 1.95 Å. The Mn(6)-O(3) bond length is 1.96 Å. The Mn(6)-F(4) bond length is 2.18 Å. The Mn(6)-F(5) bond length is 2.19 Å. Both Mn(6)-F(1) bond lengths are 2.13 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mn(1), one Mn(4), and one Mn(6) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(3) and two equivalent Mn(4) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(2), one Mn(5), and one Mn(6) atom. There are six inequivalent F sites. In the first F site, F(3) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(4) atom. In the second F site, F(4) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(5), and one Mn(6) atom. In the third F site, F(5) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(4), and one Mn(6) atom. In the fourth F site, F(6) is bonded in a distorted trigonal planar geometry to one Mn(3) and two equivalent Mn(4) atoms. In the fifth F site, F(1) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(6) atom. In the sixth F site, F(2) is bonded in a distorted trigonal planar geometry to one Mn(5) and two equivalent Mn(2) atoms.