Fe5OF11 crystallizes in the triclinic P1 space group. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 2-coordinate geometry to one O(1), one F(3), one F(7), and one F(9) atom. In the second Fe site, Fe(2) is bonded in a 4-coordinate geometry to one F(1), one F(5), one F(7), one F(8), and one F(9) atom. In the third Fe site, Fe(3) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one F(10), one F(4), and one F(6) atom. In the fourth Fe site, Fe(4) is bonded in a 4-coordinate geometry to one O(1), one F(11), one F(2), one F(3), and one F(6) atom. In the fifth Fe site, Fe(5) is bonded in a 6-coordinate geometry to one F(1), one F(11), one F(2), one F(5), one F(6), and one F(8) atom. O(1) is bonded in a distorted trigonal non-coplanar geometry to one Fe(1), one Fe(3), and one Fe(4) atom. There are eleven inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Fe(2) and one Fe(5) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Fe(4) and one Fe(5) atom. In the third F site, F(3) is bonded in a distorted bent 150 degrees geometry to one Fe(1) and one Fe(4) atom. In the fourth F site, F(4) is bonded in a single-bond geometry to one Fe(3) atom. In the fifth F site, F(5) is bonded in a bent 120 degrees geometry to one Fe(2) and one Fe(5) atom. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Fe(3), one Fe(4), and one Fe(5) atom. In the seventh F site, F(7) is bonded in a bent 120 degrees geometry to one Fe(1) and one Fe(2) atom. In the eighth F site, F(8) is bonded in a bent 150 degrees geometry to one Fe(2) and one Fe(5) atom. In the ninth F site, F(9) is bonded in a distorted bent 150 degrees geometry to one Fe(1) and one Fe(2) atom. In the tenth F site, F(10) is bonded in a distorted single-bond geometry to one Fe(3) atom. In the eleventh F site, F(11) is bonded in a bent 120 degrees geometry to one Fe(4) and one Fe(5) atom.
Fe5OF11 crystallizes in the triclinic P1 space group. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 2-coordinate geometry to one O(1), one F(3), one F(7), and one F(9) atom. The Fe(1)-O(1) bond length is 1.58 Å. The Fe(1)-F(3) bond length is 2.44 Å. The Fe(1)-F(7) bond length is 1.81 Å. The Fe(1)-F(9) bond length is 2.25 Å. In the second Fe site, Fe(2) is bonded in a 4-coordinate geometry to one F(1), one F(5), one F(7), one F(8), and one F(9) atom. The Fe(2)-F(1) bond length is 1.98 Å. The Fe(2)-F(5) bond length is 1.59 Å. The Fe(2)-F(7) bond length is 1.79 Å. The Fe(2)-F(8) bond length is 2.53 Å. The Fe(2)-F(9) bond length is 1.91 Å. In the third Fe site, Fe(3) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one F(10), one F(4), and one F(6) atom. The Fe(3)-O(1) bond length is 1.99 Å. The Fe(3)-F(10) bond length is 2.06 Å. The Fe(3)-F(4) bond length is 1.96 Å. The Fe(3)-F(6) bond length is 2.17 Å. In the fourth Fe site, Fe(4) is bonded in a 4-coordinate geometry to one O(1), one F(11), one F(2), one F(3), and one F(6) atom. The Fe(4)-O(1) bond length is 1.68 Å. The Fe(4)-F(11) bond length is 1.66 Å. The Fe(4)-F(2) bond length is 2.60 Å. The Fe(4)-F(3) bond length is 1.98 Å. The Fe(4)-F(6) bond length is 2.11 Å. In the fifth Fe site, Fe(5) is bonded in a 6-coordinate geometry to one F(1), one F(11), one F(2), one F(5), one F(6), and one F(8) atom. The Fe(5)-F(1) bond length is 2.08 Å. The Fe(5)-F(11) bond length is 1.64 Å. The Fe(5)-F(2) bond length is 2.40 Å. The Fe(5)-F(5) bond length is 1.73 Å. The Fe(5)-F(6) bond length is 2.25 Å. The Fe(5)-F(8) bond length is 2.38 Å. O(1) is bonded in a distorted trigonal non-coplanar geometry to one Fe(1), one Fe(3), and one Fe(4) atom. There are eleven inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Fe(2) and one Fe(5) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Fe(4) and one Fe(5) atom. In the third F site, F(3) is bonded in a distorted bent 150 degrees geometry to one Fe(1) and one Fe(4) atom. In the fourth F site, F(4) is bonded in a single-bond geometry to one Fe(3) atom. In the fifth F site, F(5) is bonded in a bent 120 degrees geometry to one Fe(2) and one Fe(5) atom. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Fe(3), one Fe(4), and one Fe(5) atom. In the seventh F site, F(7) is bonded in a bent 120 degrees geometry to one Fe(1) and one Fe(2) atom. In the eighth F site, F(8) is bonded in a bent 150 degrees geometry to one Fe(2) and one Fe(5) atom. In the ninth F site, F(9) is bonded in a distorted bent 150 degrees geometry to one Fe(1) and one Fe(2) atom. In the tenth F site, F(10) is bonded in a distorted single-bond geometry to one Fe(3) atom. In the eleventh F site, F(11) is bonded in a bent 120 degrees geometry to one Fe(4) and one Fe(5) atom.