Mn6OF11 crystallizes in the monoclinic Cm space group. There are nine inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a body-centered cubic geometry to one F(12), one F(15), one F(2), one F(9), two equivalent F(5), and two equivalent F(7) atoms. In the second Mn site, Mn(2) is bonded in a body-centered cubic geometry to one O(2), one F(15), one F(2), one F(8), two equivalent F(1), and two equivalent F(7) atoms. In the third Mn site, Mn(3) is bonded in a distorted trigonal bipyramidal geometry to one O(2), one F(14), one F(4), and two equivalent F(1) atoms. In the fourth Mn site, Mn(4) is bonded in a distorted body-centered cubic geometry to one O(1), one F(13), one F(14), one F(4), two equivalent F(11), and two equivalent F(3) atoms. In the fifth Mn site, Mn(5) is bonded in a distorted body-centered cubic geometry to one O(1), one F(13), one F(16), one F(6), two equivalent F(10), and two equivalent F(3) atoms. In the sixth Mn site, Mn(6) is bonded in a body-centered cubic geometry to one F(12), one F(16), one F(6), one F(9), two equivalent F(10), and two equivalent F(5) atoms. In the seventh Mn site, Mn(7) is bonded in a body-centered cubic geometry to one F(12), one F(15), one F(2), one F(9), two equivalent F(5), and two equivalent F(7) atoms. In the eighth Mn site, Mn(8) is bonded in a 8-coordinate geometry to one O(1), one F(13), one F(16), one F(6), two equivalent F(10), and two equivalent F(3) atoms. In the ninth Mn site, Mn(9) is bonded in a 7-coordinate geometry to one O(2), one F(14), one F(8), two equivalent F(1), and two equivalent F(11) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Mn(5), one Mn(8), and two equivalent Mn(4) atoms to form distorted OMn4 tetrahedra that share corners with four equivalent F(10)Mn4 tetrahedra, corners with four equivalent F(13)Mn4 tetrahedra, corners with two equivalent F(14)Mn4 trigonal pyramids,  an edgeedge with one F(6)Mn4 tetrahedra, and edges with four equivalent F(3)Mn4 tetrahedra. In the second O site, O(2) is bonded to one Mn(3), one Mn(9), and two equivalent Mn(2) atoms to form OMn4 tetrahedra that share corners with two equivalent F(2)Mn4 tetrahedra, corners with four equivalent F(7)Mn4 tetrahedra,  an edgeedge with one F(15)Mn4 tetrahedra, edges with four equivalent F(1)Mn4 tetrahedra, and  an edgeedge with one F(14)Mn4 trigonal pyramid. There are sixteen inequivalent F sites. In the first F site, F(1) is bonded to one Mn(3), one Mn(9), and two equivalent Mn(2) atoms to form distorted FMn4 tetrahedra that share corners with two equivalent F(15)Mn4 tetrahedra, corners with two equivalent F(2)Mn4 tetrahedra, corners with two equivalent F(7)Mn4 tetrahedra, corners with four equivalent F(1)Mn4 tetrahedra, corners with two equivalent F(14)Mn4 trigonal pyramids,  an edgeedge with one F(7)Mn4 tetrahedra, and edges with two equivalent O(2)Mn4 tetrahedra. In the second F site, F(2) is bonded to one Mn(1), one Mn(7), and two equivalent Mn(2) atoms to form FMn4 tetrahedra that share corners with two equivalent O(2)Mn4 tetrahedra, corners with two equivalent F(12)Mn4 tetrahedra, corners with four equivalent F(1)Mn4 tetrahedra, corners with four equivalent F(15)Mn4 tetrahedra, corners with four equivalent F(5)Mn4 tetrahedra,  an edgeedge with one F(9)Mn4 tetrahedra, and edges with four equivalent F(7)Mn4 tetrahedra. In the third F site, F(3) is bonded to one Mn(5), one Mn(8), and two equivalent Mn(4) atoms to form FMn4 tetrahedra that share corners with two equivalent F(10)Mn4 tetrahedra, corners with two equivalent F(6)Mn4 tetrahedra, corners with four equivalent F(3)Mn4 tetrahedra, corners with two equivalent F(14)Mn4 trigonal pyramids,  an edgeedge with one F(10)Mn4 tetrahedra, edges with two equivalent O(1)Mn4 tetrahedra, and edges with two equivalent F(13)Mn4 tetrahedra. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Mn(3) and two equivalent Mn(4) atoms. In the fifth F site, F(5) is bonded to one Mn(1), one Mn(7), and two equivalent Mn(6) atoms to form a mixture of edge and corner-sharing FMn4 tetrahedra. In the sixth F site, F(6) is bonded to one Mn(5), one Mn(8), and two equivalent Mn(6) atoms to form distorted FMn4 tetrahedra that share corners with two equivalent F(12)Mn4 tetrahedra, corners with two equivalent F(13)Mn4 tetrahedra, corners with four equivalent F(3)Mn4 tetrahedra, corners with four equivalent F(5)Mn4 tetrahedra,  an edgeedge with one O(1)Mn4 tetrahedra,  an edgeedge with one F(9)Mn4 tetrahedra, and edges with four equivalent F(10)Mn4 tetrahedra. In the seventh F site, F(7) is bonded to one Mn(1), one Mn(7), and two equivalent Mn(2) atoms to form FMn4 tetrahedra that share corners with two equivalent O(2)Mn4 tetrahedra, corners with two equivalent F(1)Mn4 tetrahedra, corners with two equivalent F(12)Mn4 tetrahedra, corners with two equivalent F(5)Mn4 tetrahedra, corners with two equivalent F(9)Mn4 tetrahedra, corners with four equivalent F(7)Mn4 tetrahedra,  an edgeedge with one F(1)Mn4 tetrahedra,  an edgeedge with one F(5)Mn4 tetrahedra, edges with two equivalent F(15)Mn4 tetrahedra, and edges with two equivalent F(2)Mn4 tetrahedra. In the eighth F site, F(8) is bonded in a trigonal non-coplanar geometry to one Mn(9) and two equivalent Mn(2) atoms. In the ninth F site, F(9) is bonded to one Mn(1), one Mn(7), and two equivalent Mn(6) atoms to form a mixture of edge and corner-sharing FMn4 tetrahedra. In the tenth F site, F(10) is bonded to one Mn(5), one Mn(8), and two equivalent Mn(6) atoms to form distorted FMn4 tetrahedra that share corners with two equivalent O(1)Mn4 tetrahedra, corners with two equivalent F(12)Mn4 tetrahedra, corners with two equivalent F(13)Mn4 tetrahedra, corners with two equivalent F(3)Mn4 tetrahedra, corners with two equivalent F(5)Mn4 tetrahedra, corners with two equivalent F(9)Mn4 tetrahedra, corners with four equivalent F(10)Mn4 tetrahedra,  an edgeedge with one F(3)Mn4 tetrahedra,  an edgeedge with one F(5)Mn4 tetrahedra, and edges with two equivalent F(6)Mn4 tetrahedra. In the eleventh F site, F(11) is bonded in a 3-coordinate geometry to one Mn(9) and two equivalent Mn(4) atoms. In the twelfth F site, F(12) is bonded to one Mn(1), one Mn(7), and two equivalent Mn(6) atoms to form a mixture of edge and corner-sharing FMn4 tetrahedra. In the thirteenth F site, F(13) is bonded to one Mn(5), one Mn(8), and two equivalent Mn(4) atoms to form distorted FMn4 tetrahedra that share corners with two equivalent F(6)Mn4 tetrahedra, corners with four equivalent O(1)Mn4 tetrahedra, corners with four equivalent F(10)Mn4 tetrahedra, edges with four equivalent F(3)Mn4 tetrahedra, and  an edgeedge with one F(14)Mn4 trigonal pyramid. In the fourteenth F site, F(14) is bonded to one Mn(3), one Mn(9), and two equivalent Mn(4) atoms to form distorted FMn4 trigonal pyramids that share corners with two equivalent O(1)Mn4 tetrahedra, corners with four equivalent F(1)Mn4 tetrahedra, corners with four equivalent F(3)Mn4 tetrahedra,  an edgeedge with one O(2)Mn4 tetrahedra, and  an edgeedge with one F(13)Mn4 tetrahedra. In the fifteenth F site, F(15) is bonded to one Mn(1), one Mn(7), and two equivalent Mn(2) atoms to form FMn4 tetrahedra that share corners with two equivalent F(9)Mn4 tetrahedra, corners with four equivalent F(1)Mn4 tetrahedra, corners with four equivalent F(2)Mn4 tetrahedra, corners with four equivalent F(5)Mn4 tetrahedra,  an edgeedge with one O(2)Mn4 tetrahedra,  an edgeedge with one F(12)Mn4 tetrahedra, and edges with four equivalent F(7)Mn4 tetrahedra. In the sixteenth F site, F(16) is bonded in a distorted trigonal non-coplanar geometry to one Mn(5), one Mn(8), and two equivalent Mn(6) atoms.
Mn6OF11 crystallizes in the monoclinic Cm space group. There are nine inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a body-centered cubic geometry to one F(12), one F(15), one F(2), one F(9), two equivalent F(5), and two equivalent F(7) atoms. The Mn(1)-F(12) bond length is 2.40 Å. The Mn(1)-F(15) bond length is 2.21 Å. The Mn(1)-F(2) bond length is 2.14 Å. The Mn(1)-F(9) bond length is 2.43 Å. Both Mn(1)-F(5) bond lengths are 2.18 Å. Both Mn(1)-F(7) bond lengths are 2.39 Å. In the second Mn site, Mn(2) is bonded in a body-centered cubic geometry to one O(2), one F(15), one F(2), one F(8), two equivalent F(1), and two equivalent F(7) atoms. The Mn(2)-O(2) bond length is 2.27 Å. The Mn(2)-F(15) bond length is 2.26 Å. The Mn(2)-F(2) bond length is 2.31 Å. The Mn(2)-F(8) bond length is 2.24 Å. There is one shorter (2.25 Å) and one longer (2.37 Å) Mn(2)-F(1) bond length. There is one shorter (2.28 Å) and one longer (2.29 Å) Mn(2)-F(7) bond length. In the third Mn site, Mn(3) is bonded in a distorted trigonal bipyramidal geometry to one O(2), one F(14), one F(4), and two equivalent F(1) atoms. The Mn(3)-O(2) bond length is 1.88 Å. The Mn(3)-F(14) bond length is 2.02 Å. The Mn(3)-F(4) bond length is 1.98 Å. Both Mn(3)-F(1) bond lengths are 2.04 Å. In the fourth Mn site, Mn(4) is bonded in a distorted body-centered cubic geometry to one O(1), one F(13), one F(14), one F(4), two equivalent F(11), and two equivalent F(3) atoms. The Mn(4)-O(1) bond length is 2.14 Å. The Mn(4)-F(13) bond length is 2.38 Å. The Mn(4)-F(14) bond length is 2.32 Å. The Mn(4)-F(4) bond length is 2.30 Å. There is one shorter (2.28 Å) and one longer (2.31 Å) Mn(4)-F(11) bond length. Both Mn(4)-F(3) bond lengths are 2.26 Å. In the fifth Mn site, Mn(5) is bonded in a distorted body-centered cubic geometry to one O(1), one F(13), one F(16), one F(6), two equivalent F(10), and two equivalent F(3) atoms. The Mn(5)-O(1) bond length is 2.50 Å. The Mn(5)-F(13) bond length is 2.50 Å. The Mn(5)-F(16) bond length is 2.15 Å. The Mn(5)-F(6) bond length is 2.12 Å. Both Mn(5)-F(10) bond lengths are 2.45 Å. Both Mn(5)-F(3) bond lengths are 2.10 Å. In the sixth Mn site, Mn(6) is bonded in a body-centered cubic geometry to one F(12), one F(16), one F(6), one F(9), two equivalent F(10), and two equivalent F(5) atoms. The Mn(6)-F(12) bond length is 2.26 Å. The Mn(6)-F(16) bond length is 2.25 Å. The Mn(6)-F(6) bond length is 2.25 Å. The Mn(6)-F(9) bond length is 2.29 Å. There is one shorter (2.27 Å) and one longer (2.39 Å) Mn(6)-F(10) bond length. There is one shorter (2.23 Å) and one longer (2.31 Å) Mn(6)-F(5) bond length. In the seventh Mn site, Mn(7) is bonded in a body-centered cubic geometry to one F(12), one F(15), one F(2), one F(9), two equivalent F(5), and two equivalent F(7) atoms. The Mn(7)-F(12) bond length is 2.20 Å. The Mn(7)-F(15) bond length is 2.34 Å. The Mn(7)-F(2) bond length is 2.43 Å. The Mn(7)-F(9) bond length is 2.15 Å. Both Mn(7)-F(5) bond lengths are 2.42 Å. Both Mn(7)-F(7) bond lengths are 2.18 Å. In the eighth Mn site, Mn(8) is bonded in a 8-coordinate geometry to one O(1), one F(13), one F(16), one F(6), two equivalent F(10), and two equivalent F(3) atoms. The Mn(8)-O(1) bond length is 1.90 Å. The Mn(8)-F(13) bond length is 2.07 Å. The Mn(8)-F(16) bond length is 2.69 Å. The Mn(8)-F(6) bond length is 2.49 Å. Both Mn(8)-F(10) bond lengths are 2.12 Å. Both Mn(8)-F(3) bond lengths are 2.39 Å. In the ninth Mn site, Mn(9) is bonded in a 7-coordinate geometry to one O(2), one F(14), one F(8), two equivalent F(1), and two equivalent F(11) atoms. The Mn(9)-O(2) bond length is 2.07 Å. The Mn(9)-F(14) bond length is 2.48 Å. The Mn(9)-F(8) bond length is 2.07 Å. Both Mn(9)-F(1) bond lengths are 2.39 Å. Both Mn(9)-F(11) bond lengths are 2.10 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Mn(5), one Mn(8), and two equivalent Mn(4) atoms to form distorted OMn4 tetrahedra that share corners with four equivalent F(10)Mn4 tetrahedra, corners with four equivalent F(13)Mn4 tetrahedra, corners with two equivalent F(14)Mn4 trigonal pyramids,  an edgeedge with one F(6)Mn4 tetrahedra, and edges with four equivalent F(3)Mn4 tetrahedra. In the second O site, O(2) is bonded to one Mn(3), one Mn(9), and two equivalent Mn(2) atoms to form OMn4 tetrahedra that share corners with two equivalent F(2)Mn4 tetrahedra, corners with four equivalent F(7)Mn4 tetrahedra,  an edgeedge with one F(15)Mn4 tetrahedra, edges with four equivalent F(1)Mn4 tetrahedra, and  an edgeedge with one F(14)Mn4 trigonal pyramid. There are sixteen inequivalent F sites. In the first F site, F(1) is bonded to one Mn(3), one Mn(9), and two equivalent Mn(2) atoms to form distorted FMn4 tetrahedra that share corners with two equivalent F(15)Mn4 tetrahedra, corners with two equivalent F(2)Mn4 tetrahedra, corners with two equivalent F(7)Mn4 tetrahedra, corners with four equivalent F(1)Mn4 tetrahedra, corners with two equivalent F(14)Mn4 trigonal pyramids,  an edgeedge with one F(7)Mn4 tetrahedra, and edges with two equivalent O(2)Mn4 tetrahedra. In the second F site, F(2) is bonded to one Mn(1), one Mn(7), and two equivalent Mn(2) atoms to form FMn4 tetrahedra that share corners with two equivalent O(2)Mn4 tetrahedra, corners with two equivalent F(12)Mn4 tetrahedra, corners with four equivalent F(1)Mn4 tetrahedra, corners with four equivalent F(15)Mn4 tetrahedra, corners with four equivalent F(5)Mn4 tetrahedra,  an edgeedge with one F(9)Mn4 tetrahedra, and edges with four equivalent F(7)Mn4 tetrahedra. In the third F site, F(3) is bonded to one Mn(5), one Mn(8), and two equivalent Mn(4) atoms to form FMn4 tetrahedra that share corners with two equivalent F(10)Mn4 tetrahedra, corners with two equivalent F(6)Mn4 tetrahedra, corners with four equivalent F(3)Mn4 tetrahedra, corners with two equivalent F(14)Mn4 trigonal pyramids,  an edgeedge with one F(10)Mn4 tetrahedra, edges with two equivalent O(1)Mn4 tetrahedra, and edges with two equivalent F(13)Mn4 tetrahedra. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Mn(3) and two equivalent Mn(4) atoms. In the fifth F site, F(5) is bonded to one Mn(1), one Mn(7), and two equivalent Mn(6) atoms to form a mixture of edge and corner-sharing FMn4 tetrahedra. In the sixth F site, F(6) is bonded to one Mn(5), one Mn(8), and two equivalent Mn(6) atoms to form distorted FMn4 tetrahedra that share corners with two equivalent F(12)Mn4 tetrahedra, corners with two equivalent F(13)Mn4 tetrahedra, corners with four equivalent F(3)Mn4 tetrahedra, corners with four equivalent F(5)Mn4 tetrahedra,  an edgeedge with one O(1)Mn4 tetrahedra,  an edgeedge with one F(9)Mn4 tetrahedra, and edges with four equivalent F(10)Mn4 tetrahedra. In the seventh F site, F(7) is bonded to one Mn(1), one Mn(7), and two equivalent Mn(2) atoms to form FMn4 tetrahedra that share corners with two equivalent O(2)Mn4 tetrahedra, corners with two equivalent F(1)Mn4 tetrahedra, corners with two equivalent F(12)Mn4 tetrahedra, corners with two equivalent F(5)Mn4 tetrahedra, corners with two equivalent F(9)Mn4 tetrahedra, corners with four equivalent F(7)Mn4 tetrahedra,  an edgeedge with one F(1)Mn4 tetrahedra,  an edgeedge with one F(5)Mn4 tetrahedra, edges with two equivalent F(15)Mn4 tetrahedra, and edges with two equivalent F(2)Mn4 tetrahedra. In the eighth F site, F(8) is bonded in a trigonal non-coplanar geometry to one Mn(9) and two equivalent Mn(2) atoms. In the ninth F site, F(9) is bonded to one Mn(1), one Mn(7), and two equivalent Mn(6) atoms to form a mixture of edge and corner-sharing FMn4 tetrahedra. In the tenth F site, F(10) is bonded to one Mn(5), one Mn(8), and two equivalent Mn(6) atoms to form distorted FMn4 tetrahedra that share corners with two equivalent O(1)Mn4 tetrahedra, corners with two equivalent F(12)Mn4 tetrahedra, corners with two equivalent F(13)Mn4 tetrahedra, corners with two equivalent F(3)Mn4 tetrahedra, corners with two equivalent F(5)Mn4 tetrahedra, corners with two equivalent F(9)Mn4 tetrahedra, corners with four equivalent F(10)Mn4 tetrahedra,  an edgeedge with one F(3)Mn4 tetrahedra,  an edgeedge with one F(5)Mn4 tetrahedra, and edges with two equivalent F(6)Mn4 tetrahedra. In the eleventh F site, F(11) is bonded in a 3-coordinate geometry to one Mn(9) and two equivalent Mn(4) atoms. In the twelfth F site, F(12) is bonded to one Mn(1), one Mn(7), and two equivalent Mn(6) atoms to form a mixture of edge and corner-sharing FMn4 tetrahedra. In the thirteenth F site, F(13) is bonded to one Mn(5), one Mn(8), and two equivalent Mn(4) atoms to form distorted FMn4 tetrahedra that share corners with two equivalent F(6)Mn4 tetrahedra, corners with four equivalent O(1)Mn4 tetrahedra, corners with four equivalent F(10)Mn4 tetrahedra, edges with four equivalent F(3)Mn4 tetrahedra, and  an edgeedge with one F(14)Mn4 trigonal pyramid. In the fourteenth F site, F(14) is bonded to one Mn(3), one Mn(9), and two equivalent Mn(4) atoms to form distorted FMn4 trigonal pyramids that share corners with two equivalent O(1)Mn4 tetrahedra, corners with four equivalent F(1)Mn4 tetrahedra, corners with four equivalent F(3)Mn4 tetrahedra,  an edgeedge with one O(2)Mn4 tetrahedra, and  an edgeedge with one F(13)Mn4 tetrahedra. In the fifteenth F site, F(15) is bonded to one Mn(1), one Mn(7), and two equivalent Mn(2) atoms to form FMn4 tetrahedra that share corners with two equivalent F(9)Mn4 tetrahedra, corners with four equivalent F(1)Mn4 tetrahedra, corners with four equivalent F(2)Mn4 tetrahedra, corners with four equivalent F(5)Mn4 tetrahedra,  an edgeedge with one O(2)Mn4 tetrahedra,  an edgeedge with one F(12)Mn4 tetrahedra, and edges with four equivalent F(7)Mn4 tetrahedra. In the sixteenth F site, F(16) is bonded in a distorted trigonal non-coplanar geometry to one Mn(5), one Mn(8), and two equivalent Mn(6) atoms.