Fe7O3F13 crystallizes in the triclinic P1 space group. There are seven inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 2-coordinate geometry to one F(1), one F(10), one F(5), and one F(6) atom. In the second Fe site, Fe(2) is bonded in a 4-coordinate geometry to one O(1), one O(3), one F(2), and one F(8) atom. In the third Fe site, Fe(3) is bonded in a 6-coordinate geometry to one O(1), one O(3), one F(3), one F(4), one F(7), and one F(9) atom. In the fourth Fe site, Fe(4) is bonded in a 4-coordinate geometry to one O(1), one F(11), one F(13), one F(4), and one F(9) atom. In the fifth Fe site, Fe(5) is bonded in a 5-coordinate geometry to one O(2), one F(10), one F(12), one F(2), and one F(8) atom. In the sixth Fe site, Fe(6) is bonded in a 6-coordinate geometry to one O(2), one F(11), one F(12), one F(3), one F(5), and one F(7) atom. In the seventh Fe site, Fe(7) is bonded in a 4-coordinate geometry to one O(1), one O(3), one F(13), and one F(6) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Fe(2), one Fe(3), one Fe(4), and one Fe(7) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Fe(5) and one Fe(6) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Fe(2), one Fe(3), and one Fe(7) atom. There are thirteen inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one Fe(1) atom. In the second F site, F(2) is bonded in a distorted single-bond geometry to one Fe(2) and one Fe(5) atom. In the third F site, F(3) is bonded in a 2-coordinate geometry to one Fe(3) and one Fe(6) atom. In the fourth F site, F(4) is bonded in an L-shaped geometry to one Fe(3) and one Fe(4) atom. In the fifth F site, F(5) is bonded in a distorted bent 120 degrees geometry to one Fe(1) and one Fe(6) atom. In the sixth F site, F(6) is bonded in a distorted bent 120 degrees geometry to one Fe(1) and one Fe(7) atom. In the seventh F site, F(7) is bonded in a water-like geometry to one Fe(3) and one Fe(6) atom. In the eighth F site, F(8) is bonded in a water-like geometry to one Fe(2) and one Fe(5) atom. In the ninth F site, F(9) is bonded in a distorted L-shaped geometry to one Fe(3) and one Fe(4) atom. In the tenth F site, F(10) is bonded in a distorted single-bond geometry to one Fe(1) and one Fe(5) atom. In the eleventh F site, F(11) is bonded in a single-bond geometry to one Fe(4) and one Fe(6) atom. In the twelfth F site, F(12) is bonded in a distorted L-shaped geometry to one Fe(5) and one Fe(6) atom. In the thirteenth F site, F(13) is bonded in a bent 120 degrees geometry to one Fe(4) and one Fe(7) atom.
Fe7O3F13 crystallizes in the triclinic P1 space group. There are seven inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 2-coordinate geometry to one F(1), one F(10), one F(5), and one F(6) atom. The Fe(1)-F(1) bond length is 2.09 Å. The Fe(1)-F(10) bond length is 1.52 Å. The Fe(1)-F(5) bond length is 2.12 Å. The Fe(1)-F(6) bond length is 1.75 Å. In the second Fe site, Fe(2) is bonded in a 4-coordinate geometry to one O(1), one O(3), one F(2), and one F(8) atom. The Fe(2)-O(1) bond length is 1.78 Å. The Fe(2)-O(3) bond length is 2.08 Å. The Fe(2)-F(2) bond length is 2.49 Å. The Fe(2)-F(8) bond length is 1.55 Å. In the third Fe site, Fe(3) is bonded in a 6-coordinate geometry to one O(1), one O(3), one F(3), one F(4), one F(7), and one F(9) atom. The Fe(3)-O(1) bond length is 2.33 Å. The Fe(3)-O(3) bond length is 1.69 Å. The Fe(3)-F(3) bond length is 2.22 Å. The Fe(3)-F(4) bond length is 2.51 Å. The Fe(3)-F(7) bond length is 1.64 Å. The Fe(3)-F(9) bond length is 2.55 Å. In the fourth Fe site, Fe(4) is bonded in a 4-coordinate geometry to one O(1), one F(11), one F(13), one F(4), and one F(9) atom. The Fe(4)-O(1) bond length is 2.54 Å. The Fe(4)-F(11) bond length is 1.62 Å. The Fe(4)-F(13) bond length is 1.69 Å. The Fe(4)-F(4) bond length is 2.02 Å. The Fe(4)-F(9) bond length is 1.94 Å. In the fifth Fe site, Fe(5) is bonded in a 5-coordinate geometry to one O(2), one F(10), one F(12), one F(2), and one F(8) atom. The Fe(5)-O(2) bond length is 1.45 Å. The Fe(5)-F(10) bond length is 2.49 Å. The Fe(5)-F(12) bond length is 2.10 Å. The Fe(5)-F(2) bond length is 1.61 Å. The Fe(5)-F(8) bond length is 2.07 Å. In the sixth Fe site, Fe(6) is bonded in a 6-coordinate geometry to one O(2), one F(11), one F(12), one F(3), one F(5), and one F(7) atom. The Fe(6)-O(2) bond length is 2.19 Å. The Fe(6)-F(11) bond length is 2.54 Å. The Fe(6)-F(12) bond length is 1.51 Å. The Fe(6)-F(3) bond length is 1.71 Å. The Fe(6)-F(5) bond length is 2.61 Å. The Fe(6)-F(7) bond length is 1.93 Å. In the seventh Fe site, Fe(7) is bonded in a 4-coordinate geometry to one O(1), one O(3), one F(13), and one F(6) atom. The Fe(7)-O(1) bond length is 2.21 Å. The Fe(7)-O(3) bond length is 1.78 Å. The Fe(7)-F(13) bond length is 1.72 Å. The Fe(7)-F(6) bond length is 2.39 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Fe(2), one Fe(3), one Fe(4), and one Fe(7) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Fe(5) and one Fe(6) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Fe(2), one Fe(3), and one Fe(7) atom. There are thirteen inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one Fe(1) atom. In the second F site, F(2) is bonded in a distorted single-bond geometry to one Fe(2) and one Fe(5) atom. In the third F site, F(3) is bonded in a 2-coordinate geometry to one Fe(3) and one Fe(6) atom. In the fourth F site, F(4) is bonded in an L-shaped geometry to one Fe(3) and one Fe(4) atom. In the fifth F site, F(5) is bonded in a distorted bent 120 degrees geometry to one Fe(1) and one Fe(6) atom. In the sixth F site, F(6) is bonded in a distorted bent 120 degrees geometry to one Fe(1) and one Fe(7) atom. In the seventh F site, F(7) is bonded in a water-like geometry to one Fe(3) and one Fe(6) atom. In the eighth F site, F(8) is bonded in a water-like geometry to one Fe(2) and one Fe(5) atom. In the ninth F site, F(9) is bonded in a distorted L-shaped geometry to one Fe(3) and one Fe(4) atom. In the tenth F site, F(10) is bonded in a distorted single-bond geometry to one Fe(1) and one Fe(5) atom. In the eleventh F site, F(11) is bonded in a single-bond geometry to one Fe(4) and one Fe(6) atom. In the twelfth F site, F(12) is bonded in a distorted L-shaped geometry to one Fe(5) and one Fe(6) atom. In the thirteenth F site, F(13) is bonded in a bent 120 degrees geometry to one Fe(4) and one Fe(7) atom.