The material structure described by Fe5(O4F)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(10), one O(14), one O(16), one O(4), one O(7), and one F(1) atom to form FeO5F octahedra that share corners with two equivalent Fe(7)O4F2 octahedra, corners with two equivalent Fe(10)O5F octahedra, corners with two equivalent Fe(6)O5F octahedra, corners with two equivalent Fe(9)O5F octahedra,  an edgeedge with one Fe(3)O5F octahedra, and  an edgeedge with one Fe(4)O5F octahedra. The corner-sharing octahedral tilt angles range from 47-55°. In the second Fe site, Fe(2) is bonded to one O(12), one O(13), one O(5), one O(8), one O(9), and one F(3) atom to form FeO5F octahedra that share corners with two equivalent Fe(7)O4F2 octahedra, corners with two equivalent Fe(8)O4F2 octahedra, corners with two equivalent Fe(10)O5F octahedra, corners with two equivalent Fe(9)O5F octahedra,  an edgeedge with one Fe(4)O5F octahedra, and  an edgeedge with one Fe(5)O5F octahedra. The corner-sharing octahedral tilt angles range from 45-54°. In the third Fe site, Fe(3) is bonded to one O(10), one O(11), one O(15), one O(2), one O(6), and one F(1) atom to form FeO5F octahedra that share corners with two equivalent Fe(7)O4F2 octahedra, corners with two equivalent Fe(8)O4F2 octahedra, corners with two equivalent Fe(10)O5F octahedra, corners with two equivalent Fe(6)O5F octahedra,  an edgeedge with one Fe(1)O5F octahedra, and  an edgeedge with one Fe(5)O5F octahedra. The corner-sharing octahedral tilt angles range from 47-54°. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(13), one O(14), one O(7), one O(8), and one F(4) atom to form FeO5F octahedra that share corners with two equivalent Fe(8)O4F2 octahedra, corners with two equivalent Fe(10)O5F octahedra, corners with two equivalent Fe(6)O5F octahedra, corners with two equivalent Fe(9)O5F octahedra,  an edgeedge with one Fe(1)O5F octahedra, and  an edgeedge with one Fe(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 44-56°. In the fifth Fe site, Fe(5) is bonded to one O(11), one O(12), one O(3), one O(6), one O(9), and one F(2) atom to form FeO5F octahedra that share corners with two equivalent Fe(7)O4F2 octahedra, corners with two equivalent Fe(8)O4F2 octahedra, corners with two equivalent Fe(6)O5F octahedra, corners with two equivalent Fe(9)O5F octahedra,  an edgeedge with one Fe(2)O5F octahedra, and  an edgeedge with one Fe(3)O5F octahedra. The corner-sharing octahedral tilt angles range from 45-58°. In the sixth Fe site, Fe(6) is bonded to one O(1), one O(14), one O(15), one O(4), one O(6), and one F(2) atom to form FeO5F octahedra that share corners with two equivalent Fe(1)O5F octahedra, corners with two equivalent Fe(3)O5F octahedra, corners with two equivalent Fe(4)O5F octahedra, corners with two equivalent Fe(5)O5F octahedra,  an edgeedge with one Fe(7)O4F2 octahedra, and  an edgeedge with one Fe(10)O5F octahedra. The corner-sharing octahedral tilt angles range from 46-56°. In the seventh Fe site, Fe(7) is bonded to one O(10), one O(2), one O(4), one O(9), one F(2), and one F(3) atom to form FeO4F2 octahedra that share corners with two equivalent Fe(1)O5F octahedra, corners with two equivalent Fe(2)O5F octahedra, corners with two equivalent Fe(3)O5F octahedra, corners with two equivalent Fe(5)O5F octahedra,  an edgeedge with one Fe(8)O4F2 octahedra, and  an edgeedge with one Fe(6)O5F octahedra. The corner-sharing octahedral tilt angles range from 45-55°. In the eighth Fe site, Fe(8) is bonded to one O(11), one O(2), one O(3), one O(8), one F(3), and one F(4) atom to form FeO4F2 octahedra that share corners with two equivalent Fe(2)O5F octahedra, corners with two equivalent Fe(3)O5F octahedra, corners with two equivalent Fe(4)O5F octahedra, corners with two equivalent Fe(5)O5F octahedra,  an edgeedge with one Fe(7)O4F2 octahedra, and  an edgeedge with one Fe(9)O5F octahedra. The corner-sharing octahedral tilt angles range from 45-58°. In the ninth Fe site, Fe(9) is bonded to one O(12), one O(16), one O(3), one O(5), one O(7), and one F(4) atom to form FeO5F octahedra that share corners with two equivalent Fe(1)O5F octahedra, corners with two equivalent Fe(2)O5F octahedra, corners with two equivalent Fe(4)O5F octahedra, corners with two equivalent Fe(5)O5F octahedra,  an edgeedge with one Fe(8)O4F2 octahedra, and  an edgeedge with one Fe(10)O5F octahedra. The corner-sharing octahedral tilt angles range from 47-54°. In the tenth Fe site, Fe(10) is bonded to one O(1), one O(13), one O(15), one O(16), one O(5), and one F(1) atom to form a mixture of corner and edge-sharing FeO5F octahedra. The corner-sharing octahedral tilt angles range from 44-52°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Fe(10), one Fe(4), and one Fe(6) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(3), one Fe(7), and one Fe(8) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Fe(5), one Fe(8), and one Fe(9) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Fe(1), one Fe(6), and one Fe(7) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Fe(10), one Fe(2), and one Fe(9) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Fe(3), one Fe(5), and one Fe(6) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(4), and one Fe(9) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Fe(2), one Fe(4), and one Fe(8) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Fe(2), one Fe(5), and one Fe(7) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Fe(1), one Fe(3), and one Fe(7) atom. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Fe(3), one Fe(5), and one Fe(8) atom. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Fe(2), one Fe(5), and one Fe(9) atom. In the thirteenth O site, O(13) is bonded in a trigonal planar geometry to one Fe(10), one Fe(2), and one Fe(4) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(4), and one Fe(6) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Fe(10), one Fe(3), and one Fe(6) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(10), and one Fe(9) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(10), and one Fe(3) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Fe(5), one Fe(6), and one Fe(7) atom. In the third F site, F(3) is bonded in a distorted T-shaped geometry to one Fe(2), one Fe(7), and one Fe(8) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Fe(4), one Fe(8), and one Fe(9) atom. is represented by the CIF file [CIF]
data_Fe5(O4F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.661
_cell_length_b   7.607
_cell_length_c   9.785
_cell_angle_alpha   70.219
_cell_angle_beta   88.514
_cell_angle_gamma   88.989
_symmetry_Int_Tables_number   1
_cell_volume   326.367
_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  0.514  0.688  0.898  1.0
  Fe  Fe1  1  0.476  0.898  0.296  1.0
  Fe  Fe2  1  0.521  0.106  0.693  1.0
  Fe  Fe3  1  0.475  0.295  0.095  1.0
  Fe  Fe4  1  0.487  0.501  0.492  1.0
  Fe  Fe5  1  0.013  0.391  0.806  1.0
  Fe  Fe6  1  0.030  0.804  0.613  1.0
  Fe  Fe7  1  0.026  0.208  0.409  1.0
  Fe  Fe8  1  0.000  0.609  0.195  1.0
  Fe  Fe9  1  0.971  0.000  0.004  1.0
  O  O10  1  0.182  0.221  0.982  1.0
  O  O11  1  0.209  0.042  0.580  1.0
  O  O12  1  0.188  0.452  0.369  1.0
  O  O13  1  0.200  0.627  0.783  1.0
  O  O14  1  0.175  0.850  0.169  1.0
  O  O15  1  0.315  0.344  0.674  1.0
  O  O16  1  0.304  0.532  0.077  1.0
  O  O17  1  0.306  0.140  0.280  1.0
  O  O18  1  0.308  0.741  0.478  1.0
  O  O19  1  0.701  0.859  0.723  1.0
  O  O20  1  0.705  0.274  0.517  1.0
  O  O21  1  0.683  0.666  0.320  1.0
  O  O22  1  0.675  0.063  0.129  1.0
  O  O23  1  0.695  0.447  0.927  1.0
  O  O24  1  0.809  0.155  0.825  1.0
  O  O25  1  0.803  0.765  0.019  1.0
  F  F26  1  0.305  0.935  0.877  1.0
  F  F27  1  0.811  0.563  0.621  1.0
  F  F28  1  0.813  0.964  0.425  1.0
  F  F29  1  0.800  0.361  0.223  1.0
[/CIF]
.
The material structure described by Fe5(O4F)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(10), one O(14), one O(16), one O(4), one O(7), and one F(1) atom to form FeO5F octahedra that share corners with two equivalent Fe(7)O4F2 octahedra, corners with two equivalent Fe(10)O5F octahedra, corners with two equivalent Fe(6)O5F octahedra, corners with two equivalent Fe(9)O5F octahedra,  an edgeedge with one Fe(3)O5F octahedra, and  an edgeedge with one Fe(4)O5F octahedra. The corner-sharing octahedral tilt angles range from 47-55°. In the second Fe site, Fe(2) is bonded to one O(12), one O(13), one O(5), one O(8), one O(9), and one F(3) atom to form FeO5F octahedra that share corners with two equivalent Fe(7)O4F2 octahedra, corners with two equivalent Fe(8)O4F2 octahedra, corners with two equivalent Fe(10)O5F octahedra, corners with two equivalent Fe(9)O5F octahedra,  an edgeedge with one Fe(4)O5F octahedra, and  an edgeedge with one Fe(5)O5F octahedra. The corner-sharing octahedral tilt angles range from 45-54°. In the third Fe site, Fe(3) is bonded to one O(10), one O(11), one O(15), one O(2), one O(6), and one F(1) atom to form FeO5F octahedra that share corners with two equivalent Fe(7)O4F2 octahedra, corners with two equivalent Fe(8)O4F2 octahedra, corners with two equivalent Fe(10)O5F octahedra, corners with two equivalent Fe(6)O5F octahedra,  an edgeedge with one Fe(1)O5F octahedra, and  an edgeedge with one Fe(5)O5F octahedra. The corner-sharing octahedral tilt angles range from 47-54°. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(13), one O(14), one O(7), one O(8), and one F(4) atom to form FeO5F octahedra that share corners with two equivalent Fe(8)O4F2 octahedra, corners with two equivalent Fe(10)O5F octahedra, corners with two equivalent Fe(6)O5F octahedra, corners with two equivalent Fe(9)O5F octahedra,  an edgeedge with one Fe(1)O5F octahedra, and  an edgeedge with one Fe(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 44-56°. In the fifth Fe site, Fe(5) is bonded to one O(11), one O(12), one O(3), one O(6), one O(9), and one F(2) atom to form FeO5F octahedra that share corners with two equivalent Fe(7)O4F2 octahedra, corners with two equivalent Fe(8)O4F2 octahedra, corners with two equivalent Fe(6)O5F octahedra, corners with two equivalent Fe(9)O5F octahedra,  an edgeedge with one Fe(2)O5F octahedra, and  an edgeedge with one Fe(3)O5F octahedra. The corner-sharing octahedral tilt angles range from 45-58°. In the sixth Fe site, Fe(6) is bonded to one O(1), one O(14), one O(15), one O(4), one O(6), and one F(2) atom to form FeO5F octahedra that share corners with two equivalent Fe(1)O5F octahedra, corners with two equivalent Fe(3)O5F octahedra, corners with two equivalent Fe(4)O5F octahedra, corners with two equivalent Fe(5)O5F octahedra,  an edgeedge with one Fe(7)O4F2 octahedra, and  an edgeedge with one Fe(10)O5F octahedra. The corner-sharing octahedral tilt angles range from 46-56°. In the seventh Fe site, Fe(7) is bonded to one O(10), one O(2), one O(4), one O(9), one F(2), and one F(3) atom to form FeO4F2 octahedra that share corners with two equivalent Fe(1)O5F octahedra, corners with two equivalent Fe(2)O5F octahedra, corners with two equivalent Fe(3)O5F octahedra, corners with two equivalent Fe(5)O5F octahedra,  an edgeedge with one Fe(8)O4F2 octahedra, and  an edgeedge with one Fe(6)O5F octahedra. The corner-sharing octahedral tilt angles range from 45-55°. In the eighth Fe site, Fe(8) is bonded to one O(11), one O(2), one O(3), one O(8), one F(3), and one F(4) atom to form FeO4F2 octahedra that share corners with two equivalent Fe(2)O5F octahedra, corners with two equivalent Fe(3)O5F octahedra, corners with two equivalent Fe(4)O5F octahedra, corners with two equivalent Fe(5)O5F octahedra,  an edgeedge with one Fe(7)O4F2 octahedra, and  an edgeedge with one Fe(9)O5F octahedra. The corner-sharing octahedral tilt angles range from 45-58°. In the ninth Fe site, Fe(9) is bonded to one O(12), one O(16), one O(3), one O(5), one O(7), and one F(4) atom to form FeO5F octahedra that share corners with two equivalent Fe(1)O5F octahedra, corners with two equivalent Fe(2)O5F octahedra, corners with two equivalent Fe(4)O5F octahedra, corners with two equivalent Fe(5)O5F octahedra,  an edgeedge with one Fe(8)O4F2 octahedra, and  an edgeedge with one Fe(10)O5F octahedra. The corner-sharing octahedral tilt angles range from 47-54°. In the tenth Fe site, Fe(10) is bonded to one O(1), one O(13), one O(15), one O(16), one O(5), and one F(1) atom to form a mixture of corner and edge-sharing FeO5F octahedra. The corner-sharing octahedral tilt angles range from 44-52°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Fe(10), one Fe(4), and one Fe(6) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(3), one Fe(7), and one Fe(8) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Fe(5), one Fe(8), and one Fe(9) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Fe(1), one Fe(6), and one Fe(7) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Fe(10), one Fe(2), and one Fe(9) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Fe(3), one Fe(5), and one Fe(6) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(4), and one Fe(9) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Fe(2), one Fe(4), and one Fe(8) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Fe(2), one Fe(5), and one Fe(7) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Fe(1), one Fe(3), and one Fe(7) atom. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Fe(3), one Fe(5), and one Fe(8) atom. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Fe(2), one Fe(5), and one Fe(9) atom. In the thirteenth O site, O(13) is bonded in a trigonal planar geometry to one Fe(10), one Fe(2), and one Fe(4) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(4), and one Fe(6) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Fe(10), one Fe(3), and one Fe(6) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(10), and one Fe(9) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(10), and one Fe(3) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Fe(5), one Fe(6), and one Fe(7) atom. In the third F site, F(3) is bonded in a distorted T-shaped geometry to one Fe(2), one Fe(7), and one Fe(8) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Fe(4), one Fe(8), and one Fe(9) atom. is represented by the CIF file [CIF]
data_Fe5(O4F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.661
_cell_length_b   7.607
_cell_length_c   9.785
_cell_angle_alpha   70.219
_cell_angle_beta   88.514
_cell_angle_gamma   88.989
_symmetry_Int_Tables_number   1
_cell_volume   326.367
_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  0.514  0.688  0.898  1.0
  Fe  Fe1  1  0.476  0.898  0.296  1.0
  Fe  Fe2  1  0.521  0.106  0.693  1.0
  Fe  Fe3  1  0.475  0.295  0.095  1.0
  Fe  Fe4  1  0.487  0.501  0.492  1.0
  Fe  Fe5  1  0.013  0.391  0.806  1.0
  Fe  Fe6  1  0.030  0.804  0.613  1.0
  Fe  Fe7  1  0.026  0.208  0.409  1.0
  Fe  Fe8  1  0.000  0.609  0.195  1.0
  Fe  Fe9  1  0.971  0.000  0.004  1.0
  O  O10  1  0.182  0.221  0.982  1.0
  O  O11  1  0.209  0.042  0.580  1.0
  O  O12  1  0.188  0.452  0.369  1.0
  O  O13  1  0.200  0.627  0.783  1.0
  O  O14  1  0.175  0.850  0.169  1.0
  O  O15  1  0.315  0.344  0.674  1.0
  O  O16  1  0.304  0.532  0.077  1.0
  O  O17  1  0.306  0.140  0.280  1.0
  O  O18  1  0.308  0.741  0.478  1.0
  O  O19  1  0.701  0.859  0.723  1.0
  O  O20  1  0.705  0.274  0.517  1.0
  O  O21  1  0.683  0.666  0.320  1.0
  O  O22  1  0.675  0.063  0.129  1.0
  O  O23  1  0.695  0.447  0.927  1.0
  O  O24  1  0.809  0.155  0.825  1.0
  O  O25  1  0.803  0.765  0.019  1.0
  F  F26  1  0.305  0.935  0.877  1.0
  F  F27  1  0.811  0.563  0.621  1.0
  F  F28  1  0.813  0.964  0.425  1.0
  F  F29  1  0.800  0.361  0.223  1.0
[/CIF]
.