Mn2O3F 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 O(3), two equivalent O(2), one F(1), and one F(2) atom to form MnO4F2 octahedra that share corners with four equivalent Mn(2)O4F2 octahedra, corners with four equivalent Mn(3)O6 octahedra, and edges with two equivalent Mn(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 46-51°. In the second Mn site, Mn(2) is bonded to four equivalent O(2), one F(1), and one F(2) atom to form MnO4F2 octahedra that share corners with eight equivalent Mn(1)O4F2 octahedra and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-51°. In the third Mn site, Mn(3) is bonded to one O(1), one O(3), 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 50-51°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mn(3) 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(2), and one Mn(3) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mn(3) and two equivalent Mn(1) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped 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(2) and two equivalent Mn(1) atoms.
Mn2O3F 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 O(3), two equivalent O(2), one F(1), and one F(2) atom to form MnO4F2 octahedra that share corners with four equivalent Mn(2)O4F2 octahedra, corners with four equivalent Mn(3)O6 octahedra, and edges with two equivalent Mn(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 46-51°. The Mn(1)-O(1) bond length is 1.96 Å. The Mn(1)-O(3) bond length is 1.95 Å. Both Mn(1)-O(2) bond lengths are 1.96 Å. The Mn(1)-F(1) bond length is 2.08 Å. The Mn(1)-F(2) bond length is 2.08 Å. In the second Mn site, Mn(2) is bonded to four equivalent O(2), one F(1), and one F(2) atom to form MnO4F2 octahedra that share corners with eight equivalent Mn(1)O4F2 octahedra and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-51°. All Mn(2)-O(2) bond lengths are 1.93 Å. The Mn(2)-F(1) bond length is 1.89 Å. The Mn(2)-F(2) bond length is 1.88 Å. In the third Mn site, Mn(3) is bonded to one O(1), one O(3), 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 50-51°. The Mn(3)-O(1) bond length is 2.03 Å. The Mn(3)-O(3) bond length is 2.11 Å. All Mn(3)-O(2) bond lengths are 1.94 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mn(3) 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(2), and one Mn(3) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mn(3) and two equivalent Mn(1) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped 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(2) and two equivalent Mn(1) atoms.