The material described by Fe2O3F 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(11), one O(14), one O(3), one O(5), one O(8), 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 four equivalent Fe(10)O5F octahedra,  an edgeedge with one Fe(3)O4F2 octahedra, and  an edgeedge with one Fe(5)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 46-54°. In the second Fe site, Fe(2) is bonded to one O(12), one O(15), one O(4), one O(6), one O(9), and one F(2) atom to form FeO5F octahedra that share corners with two equivalent Fe(8)O4F2 octahedra, corners with two equivalent Fe(9)O4F2 octahedra, corners with four equivalent Fe(6)O5F octahedra,  an edgeedge with one Fe(3)O4F2 octahedra, and  an edgeedge with one Fe(4)O5F octahedra. The corner-sharing octahedral tilt angles range from 46-58°. In the third Fe site, Fe(3) is bonded to one O(1), one O(13), one O(5), one O(9), one F(2), and one F(3) atom to form FeO4F2 octahedra that share corners with two equivalent Fe(10)O5F octahedra, corners with two equivalent Fe(6)O5F octahedra, corners with four equivalent Fe(8)O4F2 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 44-54°. In the fourth Fe site, Fe(4) is bonded to one O(10), one O(12), one O(2), one O(6), one O(7), and one F(4) atom to form FeO5F octahedra that share corners with two equivalent Fe(7)O4F2 octahedra, corners with two equivalent Fe(6)O5F octahedra, corners with four equivalent Fe(9)O4F2 octahedra,  an edgeedge with one Fe(5)O4F2 octahedra, and  an edgeedge with one Fe(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 44-59°. In the fifth Fe site, Fe(5) is bonded to one O(10), one O(11), one O(7), one O(8), one F(1), and one F(5) atom to form FeO4F2 octahedra that share corners with two equivalent Fe(9)O4F2 octahedra, corners with two equivalent Fe(10)O5F octahedra, corners with four equivalent Fe(7)O4F2 octahedra,  an edgeedge with one Fe(1)O5F octahedra, and  an edgeedge with one Fe(4)O5F octahedra. The corner-sharing octahedral tilt angles range from 43-54°. In the sixth Fe site, Fe(6) is bonded to one O(1), one O(15), one O(4), one O(6), one O(9), and one F(4) atom to form FeO5F octahedra that share corners with two equivalent Fe(3)O4F2 octahedra, corners with two equivalent Fe(4)O5F octahedra, corners with four equivalent Fe(2)O5F octahedra,  an edgeedge with one Fe(8)O4F2 octahedra, and  an edgeedge with one Fe(9)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. In the seventh Fe site, Fe(7) is bonded to one O(10), one O(14), one O(2), one O(8), one F(1), and one F(5) atom to form FeO4F2 octahedra that share corners with two equivalent Fe(1)O5F octahedra, corners with two equivalent Fe(4)O5F octahedra, corners with four equivalent Fe(5)O4F2 octahedra,  an edgeedge with one Fe(9)O4F2 octahedra, and  an edgeedge with one Fe(10)O5F octahedra. The corner-sharing octahedral tilt angles range from 45-54°. In the eighth Fe site, Fe(8) is bonded to one O(1), one O(13), one O(15), one O(3), 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 four equivalent Fe(3)O4F2 octahedra,  an edgeedge with one Fe(10)O5F octahedra, and  an edgeedge with one Fe(6)O5F octahedra. The corner-sharing octahedral tilt angles range from 44-54°. In the ninth Fe site, Fe(9) is bonded to one O(12), one O(2), one O(4), one O(7), one F(4), and one F(5) atom to form FeO4F2 octahedra that share corners with two equivalent Fe(5)O4F2 octahedra, corners with two equivalent Fe(2)O5F octahedra, corners with four equivalent Fe(4)O5F octahedra,  an edgeedge with one Fe(7)O4F2 octahedra, and  an edgeedge with one Fe(6)O5F octahedra. The corner-sharing octahedral tilt angles range from 43-59°. In the tenth Fe site, Fe(10) is bonded to one O(11), one O(13), one O(14), one O(3), one O(5), and one F(1) atom to form FeO5F octahedra that share corners with two equivalent Fe(3)O4F2 octahedra, corners with two equivalent Fe(5)O4F2 octahedra, corners with four equivalent Fe(1)O5F octahedra,  an edgeedge with one Fe(7)O4F2 octahedra, and  an edgeedge with one Fe(8)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 46-54°. There are fifteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Fe(3), one Fe(6), and one Fe(8) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(4), one Fe(7), and one Fe(9) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(10), and one Fe(8) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Fe(2), one Fe(6), and one Fe(9) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Fe(1), one Fe(10), and one Fe(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(4), and one Fe(6) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Fe(4), one Fe(5), and one Fe(9) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(5), and one Fe(7) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(6) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Fe(4), one Fe(5), and one Fe(7) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(10), and one Fe(5) atom. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Fe(2), one Fe(4), and one Fe(9) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Fe(10), one Fe(3), and one Fe(8) atom. In the fourteenth O site, O(14) is bonded in a trigonal planar geometry to one Fe(1), one Fe(10), and one Fe(7) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(6), and one Fe(8) atom. There are five inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Fe(10), one Fe(5), and one Fe(7) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(8) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(3), 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(6), and one Fe(9) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Fe(5), one Fe(7), and one Fe(9) atom. is represented by the CIF file [CIF]
data_Fe2O3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.657
_cell_length_b   5.539
_cell_length_c   12.990
_cell_angle_alpha   101.560
_cell_angle_beta   90.384
_cell_angle_gamma   90.760
_symmetry_Int_Tables_number   1
_cell_volume   328.251
_cell_formula_units_Z   5
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  0.525  0.508  0.009  1.0
  Fe  Fe1  1  0.472  0.894  0.592  1.0
  Fe  Fe2  1  0.501  0.698  0.800  1.0
  Fe  Fe3  1  0.515  0.088  0.395  1.0
  Fe  Fe4  1  0.502  0.300  0.201  1.0
  Fe  Fe5  1  0.983  0.404  0.607  1.0
  Fe  Fe6  1  0.013  0.800  0.199  1.0
  Fe  Fe7  1  0.999  0.200  0.800  1.0
  Fe  Fe8  1  0.964  0.618  0.407  1.0
  Fe  Fe9  1  0.023  0.992  0.992  1.0
  O  O10  1  0.798  0.453  0.746  1.0
  O  O11  1  0.814  0.855  0.332  1.0
  O  O12  1  0.815  0.250  0.934  1.0
  O  O13  1  0.797  0.653  0.544  1.0
  O  O14  1  0.695  0.755  0.938  1.0
  O  O15  1  0.689  0.151  0.535  1.0
  O  O16  1  0.689  0.354  0.338  1.0
  O  O17  1  0.708  0.556  0.146  1.0
  O  O18  1  0.302  0.644  0.662  1.0
  O  O19  1  0.311  0.043  0.259  1.0
  O  O20  1  0.314  0.249  0.066  1.0
  O  O21  1  0.297  0.845  0.454  1.0
  O  O22  1  0.203  0.945  0.853  1.0
  O  O23  1  0.196  0.749  0.063  1.0
  O  O24  1  0.186  0.150  0.665  1.0
  F  F25  1  0.810  0.059  0.136  1.0
  F  F26  1  0.690  0.957  0.735  1.0
  F  F27  1  0.307  0.444  0.866  1.0
  F  F28  1  0.188  0.347  0.461  1.0
  F  F29  1  0.195  0.538  0.265  1.0
[/CIF]
.
The material described by Fe2O3F 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(11), one O(14), one O(3), one O(5), one O(8), 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 four equivalent Fe(10)O5F octahedra,  an edgeedge with one Fe(3)O4F2 octahedra, and  an edgeedge with one Fe(5)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 46-54°. In the second Fe site, Fe(2) is bonded to one O(12), one O(15), one O(4), one O(6), one O(9), and one F(2) atom to form FeO5F octahedra that share corners with two equivalent Fe(8)O4F2 octahedra, corners with two equivalent Fe(9)O4F2 octahedra, corners with four equivalent Fe(6)O5F octahedra,  an edgeedge with one Fe(3)O4F2 octahedra, and  an edgeedge with one Fe(4)O5F octahedra. The corner-sharing octahedral tilt angles range from 46-58°. In the third Fe site, Fe(3) is bonded to one O(1), one O(13), one O(5), one O(9), one F(2), and one F(3) atom to form FeO4F2 octahedra that share corners with two equivalent Fe(10)O5F octahedra, corners with two equivalent Fe(6)O5F octahedra, corners with four equivalent Fe(8)O4F2 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 44-54°. In the fourth Fe site, Fe(4) is bonded to one O(10), one O(12), one O(2), one O(6), one O(7), and one F(4) atom to form FeO5F octahedra that share corners with two equivalent Fe(7)O4F2 octahedra, corners with two equivalent Fe(6)O5F octahedra, corners with four equivalent Fe(9)O4F2 octahedra,  an edgeedge with one Fe(5)O4F2 octahedra, and  an edgeedge with one Fe(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 44-59°. In the fifth Fe site, Fe(5) is bonded to one O(10), one O(11), one O(7), one O(8), one F(1), and one F(5) atom to form FeO4F2 octahedra that share corners with two equivalent Fe(9)O4F2 octahedra, corners with two equivalent Fe(10)O5F octahedra, corners with four equivalent Fe(7)O4F2 octahedra,  an edgeedge with one Fe(1)O5F octahedra, and  an edgeedge with one Fe(4)O5F octahedra. The corner-sharing octahedral tilt angles range from 43-54°. In the sixth Fe site, Fe(6) is bonded to one O(1), one O(15), one O(4), one O(6), one O(9), and one F(4) atom to form FeO5F octahedra that share corners with two equivalent Fe(3)O4F2 octahedra, corners with two equivalent Fe(4)O5F octahedra, corners with four equivalent Fe(2)O5F octahedra,  an edgeedge with one Fe(8)O4F2 octahedra, and  an edgeedge with one Fe(9)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. In the seventh Fe site, Fe(7) is bonded to one O(10), one O(14), one O(2), one O(8), one F(1), and one F(5) atom to form FeO4F2 octahedra that share corners with two equivalent Fe(1)O5F octahedra, corners with two equivalent Fe(4)O5F octahedra, corners with four equivalent Fe(5)O4F2 octahedra,  an edgeedge with one Fe(9)O4F2 octahedra, and  an edgeedge with one Fe(10)O5F octahedra. The corner-sharing octahedral tilt angles range from 45-54°. In the eighth Fe site, Fe(8) is bonded to one O(1), one O(13), one O(15), one O(3), 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 four equivalent Fe(3)O4F2 octahedra,  an edgeedge with one Fe(10)O5F octahedra, and  an edgeedge with one Fe(6)O5F octahedra. The corner-sharing octahedral tilt angles range from 44-54°. In the ninth Fe site, Fe(9) is bonded to one O(12), one O(2), one O(4), one O(7), one F(4), and one F(5) atom to form FeO4F2 octahedra that share corners with two equivalent Fe(5)O4F2 octahedra, corners with two equivalent Fe(2)O5F octahedra, corners with four equivalent Fe(4)O5F octahedra,  an edgeedge with one Fe(7)O4F2 octahedra, and  an edgeedge with one Fe(6)O5F octahedra. The corner-sharing octahedral tilt angles range from 43-59°. In the tenth Fe site, Fe(10) is bonded to one O(11), one O(13), one O(14), one O(3), one O(5), and one F(1) atom to form FeO5F octahedra that share corners with two equivalent Fe(3)O4F2 octahedra, corners with two equivalent Fe(5)O4F2 octahedra, corners with four equivalent Fe(1)O5F octahedra,  an edgeedge with one Fe(7)O4F2 octahedra, and  an edgeedge with one Fe(8)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 46-54°. There are fifteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Fe(3), one Fe(6), and one Fe(8) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(4), one Fe(7), and one Fe(9) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(10), and one Fe(8) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Fe(2), one Fe(6), and one Fe(9) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Fe(1), one Fe(10), and one Fe(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(4), and one Fe(6) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Fe(4), one Fe(5), and one Fe(9) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(5), and one Fe(7) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(6) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Fe(4), one Fe(5), and one Fe(7) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(10), and one Fe(5) atom. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Fe(2), one Fe(4), and one Fe(9) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Fe(10), one Fe(3), and one Fe(8) atom. In the fourteenth O site, O(14) is bonded in a trigonal planar geometry to one Fe(1), one Fe(10), and one Fe(7) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(6), and one Fe(8) atom. There are five inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Fe(10), one Fe(5), and one Fe(7) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(8) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(3), 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(6), and one Fe(9) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Fe(5), one Fe(7), and one Fe(9) atom. is represented by the CIF file [CIF]
data_Fe2O3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.657
_cell_length_b   5.539
_cell_length_c   12.990
_cell_angle_alpha   101.560
_cell_angle_beta   90.384
_cell_angle_gamma   90.760
_symmetry_Int_Tables_number   1
_cell_volume   328.251
_cell_formula_units_Z   5
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  0.525  0.508  0.009  1.0
  Fe  Fe1  1  0.472  0.894  0.592  1.0
  Fe  Fe2  1  0.501  0.698  0.800  1.0
  Fe  Fe3  1  0.515  0.088  0.395  1.0
  Fe  Fe4  1  0.502  0.300  0.201  1.0
  Fe  Fe5  1  0.983  0.404  0.607  1.0
  Fe  Fe6  1  0.013  0.800  0.199  1.0
  Fe  Fe7  1  0.999  0.200  0.800  1.0
  Fe  Fe8  1  0.964  0.618  0.407  1.0
  Fe  Fe9  1  0.023  0.992  0.992  1.0
  O  O10  1  0.798  0.453  0.746  1.0
  O  O11  1  0.814  0.855  0.332  1.0
  O  O12  1  0.815  0.250  0.934  1.0
  O  O13  1  0.797  0.653  0.544  1.0
  O  O14  1  0.695  0.755  0.938  1.0
  O  O15  1  0.689  0.151  0.535  1.0
  O  O16  1  0.689  0.354  0.338  1.0
  O  O17  1  0.708  0.556  0.146  1.0
  O  O18  1  0.302  0.644  0.662  1.0
  O  O19  1  0.311  0.043  0.259  1.0
  O  O20  1  0.314  0.249  0.066  1.0
  O  O21  1  0.297  0.845  0.454  1.0
  O  O22  1  0.203  0.945  0.853  1.0
  O  O23  1  0.196  0.749  0.063  1.0
  O  O24  1  0.186  0.150  0.665  1.0
  F  F25  1  0.810  0.059  0.136  1.0
  F  F26  1  0.690  0.957  0.735  1.0
  F  F27  1  0.307  0.444  0.866  1.0
  F  F28  1  0.188  0.347  0.461  1.0
  F  F29  1  0.195  0.538  0.265  1.0
[/CIF]
.