Mn8O13F3 is Hydrophilite-derived structured and crystallizes in the monoclinic Pm space group. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), 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(5)O5F octahedra, and edges with two equivalent Mn(3)O5F octahedra. The corner-sharing octahedral tilt angles range from 47-52°. In the second Mn site, Mn(2) is bonded to one O(1), one O(3), one O(4), one O(5), one F(1), and one F(3) atom to form MnO4F2 octahedra that share corners with two equivalent Mn(1)O4F2 octahedra, corners with two equivalent Mn(3)O5F octahedra, corners with two equivalent Mn(4)O6 octahedra, corners with two equivalent Mn(6)O6 octahedra, and edges with two equivalent Mn(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. In the third Mn site, Mn(3) is bonded to one O(9), two equivalent O(1), two equivalent O(2), and one F(3) atom to form MnO5F octahedra that share corners with four equivalent Mn(2)O4F2 octahedra, corners with four equivalent Mn(5)O5F octahedra, and edges with two equivalent Mn(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 49-53°. In the fourth Mn site, Mn(4) is bonded to one O(3), one O(7), two equivalent O(4), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with four equivalent Mn(2)O4F2 octahedra, corners with four equivalent Mn(5)O5F octahedra, and edges with two equivalent Mn(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-53°. In the fifth Mn site, Mn(5) is bonded to one O(2), one O(6), one O(7), one O(8), one O(9), and one F(2) atom to form MnO5F octahedra that share corners with two equivalent Mn(1)O4F2 octahedra, corners with two equivalent Mn(3)O5F octahedra, corners with two equivalent Mn(4)O6 octahedra, corners with two equivalent Mn(6)O6 octahedra, and edges with two equivalent Mn(5)O5F octahedra. The corner-sharing octahedral tilt angles range from 50-53°. In the sixth Mn site, Mn(6) is bonded to one O(5), one O(8), two equivalent O(4), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with four equivalent Mn(2)O4F2 octahedra, corners with four equivalent Mn(5)O5F octahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. There are nine 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(3) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(5) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(4) and two equivalent Mn(2) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(2), one Mn(4), and one Mn(6) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mn(6) and two equivalent Mn(2) atoms. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Mn(4), one Mn(5), and one Mn(6) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mn(4) and two equivalent Mn(5) atoms. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Mn(6) and two equivalent Mn(5) atoms. In the ninth O site, O(9) 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 distorted T-shaped geometry to one Mn(1) and two equivalent Mn(2) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Mn(1) and two equivalent Mn(5) atoms. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Mn(3) and two equivalent Mn(2) atoms.
Mn8O13F3 is Hydrophilite-derived structured and crystallizes in the monoclinic Pm space group. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), 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(5)O5F octahedra, and edges with two equivalent Mn(3)O5F octahedra. The corner-sharing octahedral tilt angles range from 47-52°. Both Mn(1)-O(1) bond lengths are 1.94 Å. Both Mn(1)-O(2) bond lengths are 1.94 Å. The Mn(1)-F(1) bond length is 2.19 Å. The Mn(1)-F(2) bond length is 2.24 Å. In the second Mn site, Mn(2) is bonded to one O(1), one O(3), one O(4), one O(5), one F(1), and one F(3) atom to form MnO4F2 octahedra that share corners with two equivalent Mn(1)O4F2 octahedra, corners with two equivalent Mn(3)O5F octahedra, corners with two equivalent Mn(4)O6 octahedra, corners with two equivalent Mn(6)O6 octahedra, and edges with two equivalent Mn(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. The Mn(2)-O(1) bond length is 1.90 Å. The Mn(2)-O(3) bond length is 1.91 Å. The Mn(2)-O(4) bond length is 1.94 Å. The Mn(2)-O(5) bond length is 1.92 Å. The Mn(2)-F(1) bond length is 2.05 Å. The Mn(2)-F(3) bond length is 2.01 Å. In the third Mn site, Mn(3) is bonded to one O(9), two equivalent O(1), two equivalent O(2), and one F(3) atom to form MnO5F octahedra that share corners with four equivalent Mn(2)O4F2 octahedra, corners with four equivalent Mn(5)O5F octahedra, and edges with two equivalent Mn(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 49-53°. The Mn(3)-O(9) bond length is 2.10 Å. Both Mn(3)-O(1) bond lengths are 1.94 Å. Both Mn(3)-O(2) bond lengths are 1.94 Å. The Mn(3)-F(3) bond length is 2.45 Å. In the fourth Mn site, Mn(4) is bonded to one O(3), one O(7), two equivalent O(4), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with four equivalent Mn(2)O4F2 octahedra, corners with four equivalent Mn(5)O5F octahedra, and edges with two equivalent Mn(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-53°. The Mn(4)-O(3) bond length is 2.03 Å. The Mn(4)-O(7) bond length is 1.94 Å. Both Mn(4)-O(4) bond lengths are 1.93 Å. Both Mn(4)-O(6) bond lengths are 1.93 Å. In the fifth Mn site, Mn(5) is bonded to one O(2), one O(6), one O(7), one O(8), one O(9), and one F(2) atom to form MnO5F octahedra that share corners with two equivalent Mn(1)O4F2 octahedra, corners with two equivalent Mn(3)O5F octahedra, corners with two equivalent Mn(4)O6 octahedra, corners with two equivalent Mn(6)O6 octahedra, and edges with two equivalent Mn(5)O5F octahedra. The corner-sharing octahedral tilt angles range from 50-53°. The Mn(5)-O(2) bond length is 1.91 Å. The Mn(5)-O(6) bond length is 1.94 Å. The Mn(5)-O(7) bond length is 1.96 Å. The Mn(5)-O(8) bond length is 1.89 Å. The Mn(5)-O(9) bond length is 1.91 Å. The Mn(5)-F(2) bond length is 2.02 Å. In the sixth Mn site, Mn(6) is bonded to one O(5), one O(8), two equivalent O(4), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with four equivalent Mn(2)O4F2 octahedra, corners with four equivalent Mn(5)O5F octahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. The Mn(6)-O(5) bond length is 1.97 Å. The Mn(6)-O(8) bond length is 2.00 Å. Both Mn(6)-O(4) bond lengths are 1.94 Å. Both Mn(6)-O(6) bond lengths are 1.94 Å. There are nine 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(3) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(5) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(4) and two equivalent Mn(2) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(2), one Mn(4), and one Mn(6) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mn(6) and two equivalent Mn(2) atoms. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Mn(4), one Mn(5), and one Mn(6) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mn(4) and two equivalent Mn(5) atoms. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Mn(6) and two equivalent Mn(5) atoms. In the ninth O site, O(9) 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 distorted T-shaped geometry to one Mn(1) and two equivalent Mn(2) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Mn(1) and two equivalent Mn(5) atoms. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Mn(3) and two equivalent Mn(2) atoms.