Mn4O7F is Hydrophilite-derived structured and crystallizes in the monoclinic P2_1 space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(7), and one F(1) atom to form MnO5F octahedra that share corners with four equivalent Mn(3)O5F octahedra, corners with four equivalent Mn(4)O6 octahedra, and edges with two equivalent Mn(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 49-54°. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one F(1) atom to form MnO5F octahedra that share corners with four equivalent Mn(3)O5F octahedra, corners with four equivalent Mn(4)O6 octahedra, and edges with two equivalent Mn(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 49-55°. In the third Mn site, Mn(3) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one F(1) atom to form MnO5F octahedra that share corners with four equivalent Mn(1)O5F octahedra, corners with four equivalent Mn(2)O5F octahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-54°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(2), one O(4), one O(5), one O(6), and one O(7) atom to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 49-55°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(4) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(4) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(4) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(4) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(4) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(4) atom. F(1) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(3) atom.
Mn4O7F is Hydrophilite-derived structured and crystallizes in the monoclinic P2_1 space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(7), and one F(1) atom to form MnO5F octahedra that share corners with four equivalent Mn(3)O5F octahedra, corners with four equivalent Mn(4)O6 octahedra, and edges with two equivalent Mn(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 49-54°. The Mn(1)-O(1) bond length is 1.97 Å. The Mn(1)-O(2) bond length is 1.95 Å. The Mn(1)-O(3) bond length is 1.89 Å. The Mn(1)-O(5) bond length is 2.00 Å. The Mn(1)-O(7) bond length is 1.98 Å. The Mn(1)-F(1) bond length is 2.04 Å. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one F(1) atom to form MnO5F octahedra that share corners with four equivalent Mn(3)O5F octahedra, corners with four equivalent Mn(4)O6 octahedra, and edges with two equivalent Mn(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 49-55°. The Mn(2)-O(1) bond length is 1.96 Å. The Mn(2)-O(2) bond length is 1.95 Å. The Mn(2)-O(3) bond length is 1.97 Å. The Mn(2)-O(4) bond length is 1.93 Å. The Mn(2)-O(6) bond length is 1.95 Å. The Mn(2)-F(1) bond length is 2.14 Å. In the third Mn site, Mn(3) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one F(1) atom to form MnO5F octahedra that share corners with four equivalent Mn(1)O5F octahedra, corners with four equivalent Mn(2)O5F octahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-54°. The Mn(3)-O(3) bond length is 1.94 Å. The Mn(3)-O(4) bond length is 1.93 Å. The Mn(3)-O(5) bond length is 1.94 Å. The Mn(3)-O(6) bond length is 1.89 Å. The Mn(3)-O(7) bond length is 1.95 Å. The Mn(3)-F(1) bond length is 2.02 Å. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(2), one O(4), one O(5), one O(6), and one O(7) atom to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 49-55°. The Mn(4)-O(1) bond length is 1.99 Å. The Mn(4)-O(2) bond length is 1.99 Å. The Mn(4)-O(4) bond length is 1.92 Å. The Mn(4)-O(5) bond length is 1.95 Å. The Mn(4)-O(6) bond length is 1.95 Å. The Mn(4)-O(7) bond length is 1.95 Å. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(4) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(4) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(4) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(4) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(4) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(4) atom. F(1) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(3) atom.