The material structure described by Fe5(OF4)2 is Hydrophilite-derived structured and crystallizes in the triclinic P1 space group. There are ten inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(4), one F(11), one F(15), one F(4), one F(5), and one F(6) atom to form FeOF5 octahedra that share corners with two equivalent Fe(10)OF5 octahedra, corners with two equivalent Fe(6)OF5 octahedra, corners with two equivalent Fe(7)OF5 octahedra, corners with two equivalent Fe(9)OF5 octahedra,  an edgeedge with one Fe(3)O2F4 octahedra, and  an edgeedge with one Fe(4)OF5 octahedra. The corner-sharing octahedral tilt angles range from 42-59°. In the second Fe site, Fe(2) is bonded to one O(1), one O(3), one F(10), one F(13), one F(7), and one F(9) atom to form a mixture of distorted edge and corner-sharing FeO2F4 octahedra. The corner-sharing octahedral tilt angles range from 45-55°. In the third Fe site, Fe(3) is bonded to one O(2), one O(4), one F(14), one F(2), one F(5), and one F(8) atom to form a mixture of edge and corner-sharing FeO2F4 octahedra. The corner-sharing octahedral tilt angles range from 42-52°. In the fourth Fe site, Fe(4) is bonded to one O(3), one F(1), one F(10), one F(11), one F(16), and one F(6) atom to form FeOF5 octahedra that share corners with two equivalent Fe(10)OF5 octahedra, corners with two equivalent Fe(6)OF5 octahedra, corners with two equivalent Fe(8)OF5 octahedra, corners with two equivalent Fe(9)OF5 octahedra,  an edgeedge with one Fe(2)O2F4 octahedra, and  an edgeedge with one Fe(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 47-55°. In the fifth Fe site, Fe(5) is bonded to one O(2), one F(12), one F(3), one F(7), one F(8), and one F(9) atom to form FeOF5 octahedra that share corners with two equivalent Fe(6)OF5 octahedra, corners with two equivalent Fe(7)OF5 octahedra, corners with two equivalent Fe(8)OF5 octahedra, corners with two equivalent Fe(9)OF5 octahedra,  an edgeedge with one Fe(2)O2F4 octahedra, and  an edgeedge with one Fe(3)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 45-58°. In the sixth Fe site, Fe(6) is bonded to one O(2), one F(1), one F(11), one F(12), one F(14), and one F(4) atom to form FeOF5 octahedra that share corners with two equivalent Fe(3)O2F4 octahedra, corners with two equivalent Fe(1)OF5 octahedra, corners with two equivalent Fe(4)OF5 octahedra, corners with two equivalent Fe(5)OF5 octahedra,  an edgeedge with one Fe(10)OF5 octahedra, and  an edgeedge with one Fe(7)OF5 octahedra. The corner-sharing octahedral tilt angles range from 47-58°. In the seventh Fe site, Fe(7) is bonded to one O(4), one F(12), one F(13), one F(2), one F(4), and one F(7) atom to form FeOF5 octahedra that share corners with two equivalent Fe(2)O2F4 octahedra, corners with two equivalent Fe(3)O2F4 octahedra, corners with two equivalent Fe(1)OF5 octahedra, corners with two equivalent Fe(5)OF5 octahedra,  an edgeedge with one Fe(6)OF5 octahedra, and  an edgeedge with one Fe(8)OF5 octahedra. The corner-sharing octahedral tilt angles range from 44-59°. In the eighth Fe site, Fe(8) is bonded to one O(3), one F(13), one F(16), one F(2), one F(3), and one F(8) atom to form FeOF5 octahedra that share corners with two equivalent Fe(2)O2F4 octahedra, corners with two equivalent Fe(3)O2F4 octahedra, corners with two equivalent Fe(4)OF5 octahedra, corners with two equivalent Fe(5)OF5 octahedra,  an edgeedge with one Fe(7)OF5 octahedra, and  an edgeedge with one Fe(9)OF5 octahedra. The corner-sharing octahedral tilt angles range from 42-54°. In the ninth Fe site, Fe(9) is bonded to one O(1), one F(15), one F(16), one F(3), one F(6), and one F(9) atom to form FeOF5 octahedra that share corners with two equivalent Fe(2)O2F4 octahedra, corners with two equivalent Fe(1)OF5 octahedra, corners with two equivalent Fe(4)OF5 octahedra, corners with two equivalent Fe(5)OF5 octahedra,  an edgeedge with one Fe(10)OF5 octahedra, and  an edgeedge with one Fe(8)OF5 octahedra. The corner-sharing octahedral tilt angles range from 42-55°. In the tenth Fe site, Fe(10) is bonded to one O(1), one F(1), one F(10), one F(14), one F(15), and one F(5) atom to form FeOF5 octahedra that share corners with two equivalent Fe(2)O2F4 octahedra, corners with two equivalent Fe(3)O2F4 octahedra, corners with two equivalent Fe(1)OF5 octahedra, corners with two equivalent Fe(4)OF5 octahedra,  an edgeedge with one Fe(6)OF5 octahedra, and  an edgeedge with one Fe(9)OF5 octahedra. The corner-sharing octahedral tilt angles range from 44-55°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Fe(10), one Fe(2), and one Fe(9) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(3), one Fe(5), and one Fe(6) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(4), and one Fe(8) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(3), and one Fe(7) atom. There are sixteen inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Fe(10), one Fe(4), and one Fe(6) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Fe(3), one Fe(7), and one Fe(8) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to one Fe(5), one Fe(8), and one Fe(9) atom. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Fe(1), one Fe(6), and one Fe(7) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(10), and one Fe(3) atom. In the sixth F site, F(6) is bonded in a trigonal planar geometry to one Fe(1), one Fe(4), and one Fe(9) atom. In the seventh F site, F(7) is bonded in a trigonal planar geometry to one Fe(2), one Fe(5), and one Fe(7) atom. In the eighth F site, F(8) is bonded in a distorted T-shaped geometry to one Fe(3), one Fe(5), and one Fe(8) atom. In the ninth F site, F(9) is bonded in a trigonal planar geometry to one Fe(2), one Fe(5), and one Fe(9) atom. In the tenth F site, F(10) is bonded in a distorted trigonal planar geometry to one Fe(10), one Fe(2), and one Fe(4) atom. In the eleventh F site, F(11) is bonded in a trigonal planar geometry to one Fe(1), one Fe(4), and one Fe(6) atom. In the twelfth F site, F(12) is bonded in a distorted trigonal planar geometry to one Fe(5), one Fe(6), and one Fe(7) atom. In the thirteenth F site, F(13) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(7), and one Fe(8) atom. In the fourteenth F site, F(14) is bonded in a distorted trigonal planar geometry to one Fe(10), one Fe(3), and one Fe(6) atom. In the fifteenth F site, F(15) is bonded in a distorted T-shaped geometry to one Fe(1), one Fe(10), and one Fe(9) atom. In the sixteenth F site, F(16) is bonded in a trigonal planar geometry to one Fe(4), one Fe(8), and one Fe(9) atom. is represented by the CIF file [CIF]
data_Fe5(OF4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.828
_cell_length_b   8.009
_cell_length_c   10.173
_cell_angle_alpha   70.647
_cell_angle_beta   87.934
_cell_angle_gamma   88.550
_symmetry_Int_Tables_number   1
_cell_volume   370.838
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Fe  Fe0  1  0.517  0.703  0.889  1.0
  Fe  Fe1  1  0.446  0.905  0.291  1.0
  Fe  Fe2  1  0.512  0.105  0.703  1.0
  Fe  Fe3  1  0.495  0.300  0.103  1.0
  Fe  Fe4  1  0.485  0.494  0.511  1.0
  Fe  Fe5  1  0.025  0.387  0.795  1.0
  Fe  Fe6  1  0.967  0.807  0.610  1.0
  Fe  Fe7  1  0.022  0.196  0.386  1.0
  Fe  Fe8  1  0.007  0.614  0.199  1.0
  Fe  Fe9  1  0.017  0.992  0.013  1.0
  O  O10  1  0.203  0.840  0.185  1.0
  O  O11  1  0.322  0.320  0.678  1.0
  O  O12  1  0.308  0.135  0.287  1.0
  O  O13  1  0.692  0.879  0.712  1.0
  F  F14  1  0.200  0.238  0.980  1.0
  F  F15  1  0.187  0.037  0.574  1.0
  F  F16  1  0.183  0.431  0.378  1.0
  F  F17  1  0.183  0.648  0.768  1.0
  F  F18  1  0.297  0.950  0.868  1.0
  F  F19  1  0.304  0.548  0.064  1.0
  F  F20  1  0.286  0.754  0.485  1.0
  F  F21  1  0.721  0.245  0.516  1.0
  F  F22  1  0.676  0.666  0.335  1.0
  F  F23  1  0.698  0.051  0.133  1.0
  F  F24  1  0.707  0.450  0.918  1.0
  F  F25  1  0.815  0.575  0.617  1.0
  F  F26  1  0.811  0.961  0.422  1.0
  F  F27  1  0.800  0.151  0.826  1.0
  F  F28  1  0.801  0.754  0.024  1.0
  F  F29  1  0.812  0.359  0.228  1.0
[/CIF]
.
The material structure described by Fe5(OF4)2 is Hydrophilite-derived structured and crystallizes in the triclinic P1 space group. There are ten inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(4), one F(11), one F(15), one F(4), one F(5), and one F(6) atom to form FeOF5 octahedra that share corners with two equivalent Fe(10)OF5 octahedra, corners with two equivalent Fe(6)OF5 octahedra, corners with two equivalent Fe(7)OF5 octahedra, corners with two equivalent Fe(9)OF5 octahedra,  an edgeedge with one Fe(3)O2F4 octahedra, and  an edgeedge with one Fe(4)OF5 octahedra. The corner-sharing octahedral tilt angles range from 42-59°. In the second Fe site, Fe(2) is bonded to one O(1), one O(3), one F(10), one F(13), one F(7), and one F(9) atom to form a mixture of distorted edge and corner-sharing FeO2F4 octahedra. The corner-sharing octahedral tilt angles range from 45-55°. In the third Fe site, Fe(3) is bonded to one O(2), one O(4), one F(14), one F(2), one F(5), and one F(8) atom to form a mixture of edge and corner-sharing FeO2F4 octahedra. The corner-sharing octahedral tilt angles range from 42-52°. In the fourth Fe site, Fe(4) is bonded to one O(3), one F(1), one F(10), one F(11), one F(16), and one F(6) atom to form FeOF5 octahedra that share corners with two equivalent Fe(10)OF5 octahedra, corners with two equivalent Fe(6)OF5 octahedra, corners with two equivalent Fe(8)OF5 octahedra, corners with two equivalent Fe(9)OF5 octahedra,  an edgeedge with one Fe(2)O2F4 octahedra, and  an edgeedge with one Fe(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 47-55°. In the fifth Fe site, Fe(5) is bonded to one O(2), one F(12), one F(3), one F(7), one F(8), and one F(9) atom to form FeOF5 octahedra that share corners with two equivalent Fe(6)OF5 octahedra, corners with two equivalent Fe(7)OF5 octahedra, corners with two equivalent Fe(8)OF5 octahedra, corners with two equivalent Fe(9)OF5 octahedra,  an edgeedge with one Fe(2)O2F4 octahedra, and  an edgeedge with one Fe(3)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 45-58°. In the sixth Fe site, Fe(6) is bonded to one O(2), one F(1), one F(11), one F(12), one F(14), and one F(4) atom to form FeOF5 octahedra that share corners with two equivalent Fe(3)O2F4 octahedra, corners with two equivalent Fe(1)OF5 octahedra, corners with two equivalent Fe(4)OF5 octahedra, corners with two equivalent Fe(5)OF5 octahedra,  an edgeedge with one Fe(10)OF5 octahedra, and  an edgeedge with one Fe(7)OF5 octahedra. The corner-sharing octahedral tilt angles range from 47-58°. In the seventh Fe site, Fe(7) is bonded to one O(4), one F(12), one F(13), one F(2), one F(4), and one F(7) atom to form FeOF5 octahedra that share corners with two equivalent Fe(2)O2F4 octahedra, corners with two equivalent Fe(3)O2F4 octahedra, corners with two equivalent Fe(1)OF5 octahedra, corners with two equivalent Fe(5)OF5 octahedra,  an edgeedge with one Fe(6)OF5 octahedra, and  an edgeedge with one Fe(8)OF5 octahedra. The corner-sharing octahedral tilt angles range from 44-59°. In the eighth Fe site, Fe(8) is bonded to one O(3), one F(13), one F(16), one F(2), one F(3), and one F(8) atom to form FeOF5 octahedra that share corners with two equivalent Fe(2)O2F4 octahedra, corners with two equivalent Fe(3)O2F4 octahedra, corners with two equivalent Fe(4)OF5 octahedra, corners with two equivalent Fe(5)OF5 octahedra,  an edgeedge with one Fe(7)OF5 octahedra, and  an edgeedge with one Fe(9)OF5 octahedra. The corner-sharing octahedral tilt angles range from 42-54°. In the ninth Fe site, Fe(9) is bonded to one O(1), one F(15), one F(16), one F(3), one F(6), and one F(9) atom to form FeOF5 octahedra that share corners with two equivalent Fe(2)O2F4 octahedra, corners with two equivalent Fe(1)OF5 octahedra, corners with two equivalent Fe(4)OF5 octahedra, corners with two equivalent Fe(5)OF5 octahedra,  an edgeedge with one Fe(10)OF5 octahedra, and  an edgeedge with one Fe(8)OF5 octahedra. The corner-sharing octahedral tilt angles range from 42-55°. In the tenth Fe site, Fe(10) is bonded to one O(1), one F(1), one F(10), one F(14), one F(15), and one F(5) atom to form FeOF5 octahedra that share corners with two equivalent Fe(2)O2F4 octahedra, corners with two equivalent Fe(3)O2F4 octahedra, corners with two equivalent Fe(1)OF5 octahedra, corners with two equivalent Fe(4)OF5 octahedra,  an edgeedge with one Fe(6)OF5 octahedra, and  an edgeedge with one Fe(9)OF5 octahedra. The corner-sharing octahedral tilt angles range from 44-55°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Fe(10), one Fe(2), and one Fe(9) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(3), one Fe(5), and one Fe(6) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(4), and one Fe(8) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(3), and one Fe(7) atom. There are sixteen inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Fe(10), one Fe(4), and one Fe(6) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Fe(3), one Fe(7), and one Fe(8) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to one Fe(5), one Fe(8), and one Fe(9) atom. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Fe(1), one Fe(6), and one Fe(7) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(10), and one Fe(3) atom. In the sixth F site, F(6) is bonded in a trigonal planar geometry to one Fe(1), one Fe(4), and one Fe(9) atom. In the seventh F site, F(7) is bonded in a trigonal planar geometry to one Fe(2), one Fe(5), and one Fe(7) atom. In the eighth F site, F(8) is bonded in a distorted T-shaped geometry to one Fe(3), one Fe(5), and one Fe(8) atom. In the ninth F site, F(9) is bonded in a trigonal planar geometry to one Fe(2), one Fe(5), and one Fe(9) atom. In the tenth F site, F(10) is bonded in a distorted trigonal planar geometry to one Fe(10), one Fe(2), and one Fe(4) atom. In the eleventh F site, F(11) is bonded in a trigonal planar geometry to one Fe(1), one Fe(4), and one Fe(6) atom. In the twelfth F site, F(12) is bonded in a distorted trigonal planar geometry to one Fe(5), one Fe(6), and one Fe(7) atom. In the thirteenth F site, F(13) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(7), and one Fe(8) atom. In the fourteenth F site, F(14) is bonded in a distorted trigonal planar geometry to one Fe(10), one Fe(3), and one Fe(6) atom. In the fifteenth F site, F(15) is bonded in a distorted T-shaped geometry to one Fe(1), one Fe(10), and one Fe(9) atom. In the sixteenth F site, F(16) is bonded in a trigonal planar geometry to one Fe(4), one Fe(8), and one Fe(9) atom. is represented by the CIF file [CIF]
data_Fe5(OF4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.828
_cell_length_b   8.009
_cell_length_c   10.173
_cell_angle_alpha   70.647
_cell_angle_beta   87.934
_cell_angle_gamma   88.550
_symmetry_Int_Tables_number   1
_cell_volume   370.838
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Fe  Fe0  1  0.517  0.703  0.889  1.0
  Fe  Fe1  1  0.446  0.905  0.291  1.0
  Fe  Fe2  1  0.512  0.105  0.703  1.0
  Fe  Fe3  1  0.495  0.300  0.103  1.0
  Fe  Fe4  1  0.485  0.494  0.511  1.0
  Fe  Fe5  1  0.025  0.387  0.795  1.0
  Fe  Fe6  1  0.967  0.807  0.610  1.0
  Fe  Fe7  1  0.022  0.196  0.386  1.0
  Fe  Fe8  1  0.007  0.614  0.199  1.0
  Fe  Fe9  1  0.017  0.992  0.013  1.0
  O  O10  1  0.203  0.840  0.185  1.0
  O  O11  1  0.322  0.320  0.678  1.0
  O  O12  1  0.308  0.135  0.287  1.0
  O  O13  1  0.692  0.879  0.712  1.0
  F  F14  1  0.200  0.238  0.980  1.0
  F  F15  1  0.187  0.037  0.574  1.0
  F  F16  1  0.183  0.431  0.378  1.0
  F  F17  1  0.183  0.648  0.768  1.0
  F  F18  1  0.297  0.950  0.868  1.0
  F  F19  1  0.304  0.548  0.064  1.0
  F  F20  1  0.286  0.754  0.485  1.0
  F  F21  1  0.721  0.245  0.516  1.0
  F  F22  1  0.676  0.666  0.335  1.0
  F  F23  1  0.698  0.051  0.133  1.0
  F  F24  1  0.707  0.450  0.918  1.0
  F  F25  1  0.815  0.575  0.617  1.0
  F  F26  1  0.811  0.961  0.422  1.0
  F  F27  1  0.800  0.151  0.826  1.0
  F  F28  1  0.801  0.754  0.024  1.0
  F  F29  1  0.812  0.359  0.228  1.0
[/CIF]
.