Mn2O3F 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 O(2), and two equivalent F(1) atoms to form MnO4F2 octahedra that share corners with two equivalent Mn(4)O4F2 octahedra, corners with two equivalent Mn(3)O6 octahedra, corners with four equivalent Mn(2)O5F octahedra, and edges with two equivalent Mn(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 49-53°. In the second Mn site, Mn(2) is bonded to one O(1), four equivalent O(3), and one F(1) atom to form MnO5F octahedra that share corners with four equivalent Mn(1)O4F2 octahedra, corners with four equivalent Mn(5)O4F2 octahedra, and edges with two equivalent Mn(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 49-52°. In the third Mn site, Mn(3) is bonded to two equivalent O(4) and four equivalent O(2) atoms to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the fourth Mn site, Mn(4) is bonded to four equivalent O(2) and two equivalent F(2) atoms to form MnO4F2 octahedra that share corners with four equivalent Mn(1)O4F2 octahedra, corners with four equivalent Mn(5)O4F2 octahedra, and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-53°. In the fifth Mn site, Mn(5) is bonded to two equivalent O(3); two O(4,4); and two F(2,2) atoms to form MnO4F2 octahedra that share corners with two equivalent Mn(4)O4F2 octahedra, corners with two equivalent Mn(3)O6 octahedra, corners with four equivalent Mn(2)O5F octahedra, and edges with two equivalent Mn(5)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 46-51°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted 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(1), one Mn(3), and one Mn(4) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(5) and two equivalent Mn(2) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mn(3) and two equivalent Mn(5) atoms. In the fifth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mn(3) and two equivalent Mn(5) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a 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 T-shaped geometry to one Mn(4) and two equivalent Mn(5) atoms. In the third F site, F(2) is bonded in a distorted T-shaped geometry to one Mn(4) and two equivalent Mn(5) atoms.
Mn2O3F 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 O(2), and two equivalent F(1) atoms to form MnO4F2 octahedra that share corners with two equivalent Mn(4)O4F2 octahedra, corners with two equivalent Mn(3)O6 octahedra, corners with four equivalent Mn(2)O5F octahedra, and edges with two equivalent Mn(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 49-53°. Both Mn(1)-O(1) bond lengths are 1.90 Å. Both Mn(1)-O(2) bond lengths are 1.93 Å. Both Mn(1)-F(1) bond lengths are 2.02 Å. In the second Mn site, Mn(2) is bonded to one O(1), four equivalent O(3), and one F(1) atom to form MnO5F octahedra that share corners with four equivalent Mn(1)O4F2 octahedra, corners with four equivalent Mn(5)O4F2 octahedra, and edges with two equivalent Mn(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 49-52°. The Mn(2)-O(1) bond length is 2.03 Å. All Mn(2)-O(3) bond lengths are 1.95 Å. The Mn(2)-F(1) bond length is 2.21 Å. In the third Mn site, Mn(3) is bonded to two equivalent O(4) and four equivalent O(2) atoms to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. Both Mn(3)-O(4) bond lengths are 2.10 Å. All Mn(3)-O(2) bond lengths are 1.95 Å. In the fourth Mn site, Mn(4) is bonded to four equivalent O(2) and two equivalent F(2) atoms to form MnO4F2 octahedra that share corners with four equivalent Mn(1)O4F2 octahedra, corners with four equivalent Mn(5)O4F2 octahedra, and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-53°. All Mn(4)-O(2) bond lengths are 1.94 Å. Both Mn(4)-F(2) bond lengths are 1.90 Å. In the fifth Mn site, Mn(5) is bonded to two equivalent O(3); two O(4,4); and two F(2,2) atoms to form MnO4F2 octahedra that share corners with two equivalent Mn(4)O4F2 octahedra, corners with two equivalent Mn(3)O6 octahedra, corners with four equivalent Mn(2)O5F octahedra, and edges with two equivalent Mn(5)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 46-51°. Both Mn(5)-O(3) bond lengths are 1.94 Å. Both Mn(5)-O(4,4) bond lengths are 1.98 Å. Both Mn(5)-F(2,2) bond lengths are 2.11 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted 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(1), one Mn(3), and one Mn(4) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(5) and two equivalent Mn(2) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mn(3) and two equivalent Mn(5) atoms. The O(4)-Mn(3) bond length is 2.10 Å. In the fifth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mn(3) and two equivalent Mn(5) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a 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 T-shaped geometry to one Mn(4) and two equivalent Mn(5) atoms. The F(2)-Mn(4) bond length is 1.90 Å. In the third F site, F(2) is bonded in a distorted T-shaped geometry to one Mn(4) and two equivalent Mn(5) atoms.