MnOF is Hydrophilite-derived structured and crystallizes in the monoclinic P2/m 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), one F(3), and one F(4) atom to form MnO4F2 octahedra that share corners with four equivalent Mn(3)O2F4 octahedra, corners with four equivalent Mn(4)O3F3 octahedra, and edges with two equivalent Mn(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 48-52°. In the second Mn site, Mn(2) is bonded to one O(3), one O(4), two equivalent F(1), and two equivalent F(2) atoms to form MnO2F4 octahedra that share corners with four equivalent Mn(4)O3F3 octahedra, corners with four equivalent Mn(5)O4F2 octahedra, and edges with two equivalent Mn(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. In the third Mn site, Mn(3) is bonded to two equivalent O(1) and four equivalent F(3) atoms to form MnO2F4 octahedra that share corners with eight equivalent Mn(1)O4F2 octahedra and edges with two equivalent Mn(3)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 48-52°. In the fourth Mn site, Mn(4) is bonded to one O(2), two equivalent O(4), one F(1), and two equivalent F(4) atoms to form MnO3F3 octahedra that share corners with four equivalent Mn(2)O2F4 octahedra, corners with four equivalent Mn(1)O4F2 octahedra, and edges with two equivalent Mn(4)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. In the fifth Mn site, Mn(5) is bonded to four equivalent O(3) and two equivalent F(2) atoms to form MnO4F2 octahedra that share corners with eight equivalent Mn(2)O2F4 octahedra and edges with two equivalent Mn(5)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. There are four 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(4) and two equivalent Mn(1) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(2) and two equivalent Mn(5) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(2) and two equivalent Mn(4) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Mn(4) and two equivalent Mn(2) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Mn(5) and two equivalent Mn(2) atoms. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Mn(1) and two equivalent Mn(3) atoms. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Mn(1) and two equivalent Mn(4) atoms.
MnOF is Hydrophilite-derived structured and crystallizes in the monoclinic P2/m 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), one F(3), and one F(4) atom to form MnO4F2 octahedra that share corners with four equivalent Mn(3)O2F4 octahedra, corners with four equivalent Mn(4)O3F3 octahedra, and edges with two equivalent Mn(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 48-52°. Both Mn(1)-O(1) bond lengths are 1.97 Å. Both Mn(1)-O(2) bond lengths are 1.98 Å. The Mn(1)-F(3) bond length is 2.28 Å. The Mn(1)-F(4) bond length is 2.29 Å. In the second Mn site, Mn(2) is bonded to one O(3), one O(4), two equivalent F(1), and two equivalent F(2) atoms to form MnO2F4 octahedra that share corners with four equivalent Mn(4)O3F3 octahedra, corners with four equivalent Mn(5)O4F2 octahedra, and edges with two equivalent Mn(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. The Mn(2)-O(3) bond length is 1.91 Å. The Mn(2)-O(4) bond length is 1.93 Å. Both Mn(2)-F(1) bond lengths are 2.11 Å. Both Mn(2)-F(2) bond lengths are 2.05 Å. In the third Mn site, Mn(3) is bonded to two equivalent O(1) and four equivalent F(3) atoms to form MnO2F4 octahedra that share corners with eight equivalent Mn(1)O4F2 octahedra and edges with two equivalent Mn(3)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 48-52°. Both Mn(3)-O(1) bond lengths are 1.90 Å. All Mn(3)-F(3) bond lengths are 2.06 Å. In the fourth Mn site, Mn(4) is bonded to one O(2), two equivalent O(4), one F(1), and two equivalent F(4) atoms to form MnO3F3 octahedra that share corners with four equivalent Mn(2)O2F4 octahedra, corners with four equivalent Mn(1)O4F2 octahedra, and edges with two equivalent Mn(4)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. The Mn(4)-O(2) bond length is 1.89 Å. Both Mn(4)-O(4) bond lengths are 1.96 Å. The Mn(4)-F(1) bond length is 2.14 Å. Both Mn(4)-F(4) bond lengths are 2.07 Å. In the fifth Mn site, Mn(5) is bonded to four equivalent O(3) and two equivalent F(2) atoms to form MnO4F2 octahedra that share corners with eight equivalent Mn(2)O2F4 octahedra and edges with two equivalent Mn(5)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. All Mn(5)-O(3) bond lengths are 1.97 Å. Both Mn(5)-F(2) bond lengths are 2.30 Å. There are four 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(4) and two equivalent Mn(1) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(2) and two equivalent Mn(5) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(2) and two equivalent Mn(4) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Mn(4) and two equivalent Mn(2) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Mn(5) and two equivalent Mn(2) atoms. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Mn(1) and two equivalent Mn(3) atoms. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Mn(1) and two equivalent Mn(4) atoms.