Mn6OF11 is alpha bismuth trifluoride-derived structured and crystallizes in the orthorhombic Cmm2 space group. There are nine inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a body-centered cubic geometry to two equivalent F(2), two equivalent F(5), two equivalent F(7), and two equivalent F(9) atoms. In the second Mn site, Mn(2) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent F(1), two equivalent F(2), and two equivalent F(7) atoms. In the third Mn site, Mn(3) is bonded in a 6-coordinate geometry to two equivalent F(1), two equivalent F(11), and two equivalent F(4) atoms. In the fourth Mn site, Mn(4) is bonded in a body-centered cubic geometry to two equivalent F(11), two equivalent F(3), two equivalent F(4), and two equivalent F(8) atoms. In the fifth Mn site, Mn(5) is bonded in a body-centered cubic geometry to two equivalent F(10), two equivalent F(3), two equivalent F(6), and two equivalent F(8) atoms. In the sixth Mn site, Mn(6) is bonded in a body-centered cubic geometry to two equivalent F(10), two equivalent F(5), two equivalent F(6), and two equivalent F(9) atoms. In the seventh Mn site, Mn(7) is bonded in a body-centered cubic geometry to two equivalent F(2), two equivalent F(5), two equivalent F(7), and two equivalent F(9) atoms. In the eighth Mn site, Mn(8) is bonded in a body-centered cubic geometry to two equivalent F(10), two equivalent F(3), two equivalent F(6), and two equivalent F(8) atoms. In the ninth Mn site, Mn(9) is bonded in a distorted body-centered cubic geometry to two equivalent O(1), two equivalent F(1), two equivalent F(11), and two equivalent F(4) atoms. O(1) is bonded in a 3-coordinate geometry to one Mn(9) and two equivalent Mn(2) atoms. There are eleven inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to one Mn(3), one Mn(9), and two equivalent Mn(2) atoms. In the second F site, F(2) is bonded to one Mn(1), one Mn(7), and two equivalent Mn(2) atoms to form a mixture of corner and edge-sharing FMn4 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 a mixture of corner and edge-sharing FMn4 tetrahedra. In the fourth F site, F(4) is bonded to one Mn(3), one Mn(9), and two equivalent Mn(4) atoms to form a mixture of corner and edge-sharing FMn4 tetrahedra. 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 corner and edge-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 a mixture of corner and edge-sharing FMn4 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 a mixture of corner and edge-sharing FMn4 tetrahedra. In the eighth F site, F(8) is bonded to one Mn(5), one Mn(8), and two equivalent Mn(4) atoms to form a mixture of corner and edge-sharing FMn4 tetrahedra. 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 corner and edge-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 a mixture of corner and edge-sharing FMn4 tetrahedra. In the eleventh F site, F(11) is bonded to one Mn(3), one Mn(9), and two equivalent Mn(4) atoms to form a mixture of corner and edge-sharing FMn4 tetrahedra.
Mn6OF11 is alpha bismuth trifluoride-derived structured and crystallizes in the orthorhombic Cmm2 space group. There are nine inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a body-centered cubic geometry to two equivalent F(2), two equivalent F(5), two equivalent F(7), and two equivalent F(9) atoms. Both Mn(1)-F(2) bond lengths are 2.18 Å. Both Mn(1)-F(5) bond lengths are 2.21 Å. Both Mn(1)-F(7) bond lengths are 2.33 Å. Both Mn(1)-F(9) bond lengths are 2.37 Å. In the second Mn site, Mn(2) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent F(1), two equivalent F(2), and two equivalent F(7) atoms. Both Mn(2)-O(1) bond lengths are 2.20 Å. Both Mn(2)-F(1) bond lengths are 2.21 Å. Both Mn(2)-F(2) bond lengths are 2.28 Å. Both Mn(2)-F(7) bond lengths are 2.34 Å. In the third Mn site, Mn(3) is bonded in a 6-coordinate geometry to two equivalent F(1), two equivalent F(11), and two equivalent F(4) atoms. Both Mn(3)-F(1) bond lengths are 2.08 Å. Both Mn(3)-F(11) bond lengths are 2.30 Å. Both Mn(3)-F(4) bond lengths are 2.17 Å. In the fourth Mn site, Mn(4) is bonded in a body-centered cubic geometry to two equivalent F(11), two equivalent F(3), two equivalent F(4), and two equivalent F(8) atoms. Both Mn(4)-F(11) bond lengths are 2.34 Å. Both Mn(4)-F(3) bond lengths are 2.25 Å. Both Mn(4)-F(4) bond lengths are 2.23 Å. Both Mn(4)-F(8) bond lengths are 2.27 Å. In the fifth Mn site, Mn(5) is bonded in a body-centered cubic geometry to two equivalent F(10), two equivalent F(3), two equivalent F(6), and two equivalent F(8) atoms. Both Mn(5)-F(10) bond lengths are 2.30 Å. Both Mn(5)-F(3) bond lengths are 2.22 Å. Both Mn(5)-F(6) bond lengths are 2.22 Å. Both Mn(5)-F(8) bond lengths are 2.36 Å. In the sixth Mn site, Mn(6) is bonded in a body-centered cubic geometry to two equivalent F(10), two equivalent F(5), two equivalent F(6), and two equivalent F(9) atoms. Both Mn(6)-F(10) bond lengths are 2.32 Å. Both Mn(6)-F(5) bond lengths are 2.26 Å. Both Mn(6)-F(6) bond lengths are 2.25 Å. Both Mn(6)-F(9) bond lengths are 2.26 Å. In the seventh Mn site, Mn(7) is bonded in a body-centered cubic geometry to two equivalent F(2), two equivalent F(5), two equivalent F(7), and two equivalent F(9) atoms. Both Mn(7)-F(2) bond lengths are 2.42 Å. Both Mn(7)-F(5) bond lengths are 2.36 Å. Both Mn(7)-F(7) bond lengths are 2.14 Å. Both Mn(7)-F(9) bond lengths are 2.20 Å. In the eighth Mn site, Mn(8) is bonded in a body-centered cubic geometry to two equivalent F(10), two equivalent F(3), two equivalent F(6), and two equivalent F(8) atoms. Both Mn(8)-F(10) bond lengths are 2.17 Å. Both Mn(8)-F(3) bond lengths are 2.37 Å. Both Mn(8)-F(6) bond lengths are 2.38 Å. Both Mn(8)-F(8) bond lengths are 2.20 Å. In the ninth Mn site, Mn(9) is bonded in a distorted body-centered cubic geometry to two equivalent O(1), two equivalent F(1), two equivalent F(11), and two equivalent F(4) atoms. Both Mn(9)-O(1) bond lengths are 1.88 Å. Both Mn(9)-F(1) bond lengths are 2.52 Å. Both Mn(9)-F(11) bond lengths are 2.17 Å. Both Mn(9)-F(4) bond lengths are 2.50 Å. O(1) is bonded in a 3-coordinate geometry to one Mn(9) and two equivalent Mn(2) atoms. There are eleven inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to one Mn(3), one Mn(9), and two equivalent Mn(2) atoms. In the second F site, F(2) is bonded to one Mn(1), one Mn(7), and two equivalent Mn(2) atoms to form a mixture of corner and edge-sharing FMn4 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 a mixture of corner and edge-sharing FMn4 tetrahedra. In the fourth F site, F(4) is bonded to one Mn(3), one Mn(9), and two equivalent Mn(4) atoms to form a mixture of corner and edge-sharing FMn4 tetrahedra. 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 corner and edge-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 a mixture of corner and edge-sharing FMn4 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 a mixture of corner and edge-sharing FMn4 tetrahedra. In the eighth F site, F(8) is bonded to one Mn(5), one Mn(8), and two equivalent Mn(4) atoms to form a mixture of corner and edge-sharing FMn4 tetrahedra. 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 corner and edge-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 a mixture of corner and edge-sharing FMn4 tetrahedra. In the eleventh F site, F(11) is bonded to one Mn(3), one Mn(9), and two equivalent Mn(4) atoms to form a mixture of corner and edge-sharing FMn4 tetrahedra.