The compound described by Fe2OF3 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(1), one O(5), one F(10), one F(5), one F(6), and one F(9) atom to form FeO2F4 octahedra that share corners with two equivalent Fe(7)OF5 octahedra, corners with two equivalent Fe(8)OF5 octahedra, corners with four equivalent Fe(10)O2F4 octahedra,  an edgeedge with one Fe(3)OF5 octahedra, and  an edgeedge with one Fe(5)OF5 octahedra. The corner-sharing octahedral tilt angles range from 40-59°. In the second Fe site, Fe(2) is bonded to one O(2), one O(4), one F(11), one F(14), one F(4), and one F(7) atom to form FeO2F4 octahedra that share corners with two equivalent Fe(8)OF5 octahedra, corners with two equivalent Fe(9)OF5 octahedra, corners with four equivalent Fe(6)O2F4 octahedra,  an edgeedge with one Fe(4)O2F4 octahedra, and  an edgeedge with one Fe(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 40-53°. In the third Fe site, Fe(3) is bonded to one O(4), one F(1), one F(12), one F(5), one F(7), and one F(9) atom to form FeOF5 octahedra that share corners with two equivalent Fe(10)O2F4 octahedra, corners with two equivalent Fe(6)O2F4 octahedra, corners with four equivalent Fe(8)OF5 octahedra,  an edgeedge with one Fe(1)O2F4 octahedra, and  an edgeedge with one Fe(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 43-59°. In the fourth Fe site, Fe(4) is bonded to one O(2), one O(3), one F(11), one F(13), one F(3), and one F(8) atom to form distorted FeO2F4 octahedra that share corners with two equivalent Fe(6)O2F4 octahedra, corners with two equivalent Fe(7)OF5 octahedra, corners with four equivalent Fe(9)OF5 octahedra,  an edgeedge with one Fe(2)O2F4 octahedra, and  an edgeedge with one Fe(5)OF5 octahedra. The corner-sharing octahedral tilt angles range from 33-59°. In the fifth Fe site, Fe(5) is bonded to one O(3), one F(10), one F(15), one F(2), one F(6), and one F(8) atom to form FeOF5 octahedra that share corners with two equivalent Fe(10)O2F4 octahedra, corners with two equivalent Fe(9)OF5 octahedra, corners with four equivalent Fe(7)OF5 octahedra,  an edgeedge with one Fe(1)O2F4 octahedra, and  an edgeedge with one Fe(4)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 42-61°. In the sixth Fe site, Fe(6) is bonded to one O(2), one O(4), one F(1), one F(13), one F(14), and one F(4) atom to form FeO2F4 octahedra that share corners with two equivalent Fe(4)O2F4 octahedra, corners with two equivalent Fe(3)OF5 octahedra, corners with four equivalent Fe(2)O2F4 octahedra,  an edgeedge with one Fe(8)OF5 octahedra, and  an edgeedge with one Fe(9)OF5 octahedra. The corner-sharing octahedral tilt angles range from 42-59°. In the seventh Fe site, Fe(7) is bonded to one O(5), one F(15), one F(2), one F(3), one F(6), and one F(8) atom to form FeOF5 octahedra that share corners with two equivalent Fe(1)O2F4 octahedra, corners with two equivalent Fe(4)O2F4 octahedra, corners with four equivalent Fe(5)OF5 octahedra,  an edgeedge with one Fe(10)O2F4 octahedra, and  an edgeedge with one Fe(9)OF5 octahedra. The corner-sharing octahedral tilt angles range from 33-61°. In the eighth Fe site, Fe(8) is bonded to one O(1), one F(1), one F(12), one F(14), one F(7), and one F(9) atom to form distorted FeOF5 octahedra that share corners with two equivalent Fe(1)O2F4 octahedra, corners with two equivalent Fe(2)O2F4 octahedra, corners with four equivalent Fe(3)OF5 octahedra,  an edgeedge with one Fe(10)O2F4 octahedra, and  an edgeedge with one Fe(6)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 40-59°. In the ninth Fe site, Fe(9) is bonded to one O(3), one F(11), one F(13), one F(15), one F(3), and one F(4) atom to form FeOF5 octahedra that share corners with two equivalent Fe(2)O2F4 octahedra, corners with two equivalent Fe(5)OF5 octahedra, corners with four equivalent Fe(4)O2F4 octahedra,  an edgeedge with one Fe(6)O2F4 octahedra, and  an edgeedge with one Fe(7)OF5 octahedra. The corner-sharing octahedral tilt angles range from 47-57°. In the tenth Fe site, Fe(10) is bonded to one O(1), one O(5), one F(10), one F(12), one F(2), and one F(5) atom to form FeO2F4 octahedra that share corners with two equivalent Fe(3)OF5 octahedra, corners with two equivalent Fe(5)OF5 octahedra, corners with four equivalent Fe(1)O2F4 octahedra,  an edgeedge with one Fe(7)OF5 octahedra, and  an edgeedge with one Fe(8)OF5 octahedra. The corner-sharing octahedral tilt angles range from 40-55°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(10), and one Fe(8) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(2), one Fe(4), and one Fe(6) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Fe(4), one Fe(5), and one Fe(9) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(6) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(10), and one Fe(7) atom. There are fifteen inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Fe(3), one Fe(6), and one Fe(8) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Fe(10), one Fe(5), and one Fe(7) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Fe(4), one Fe(7), and one Fe(9) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(6), and one Fe(9) atom. In the fifth F site, F(5) is bonded in a 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(5), and one Fe(7) atom. In the seventh F site, F(7) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(8) atom. In the eighth F site, F(8) is bonded in a distorted trigonal planar geometry to one Fe(4), one Fe(5), and one Fe(7) atom. In the ninth F site, F(9) is bonded in a trigonal planar geometry to one Fe(1), one Fe(3), and one Fe(8) atom. In the tenth F site, F(10) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(10), and one Fe(5) atom. In the eleventh F site, F(11) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(4), and one Fe(9) atom. In the twelfth F site, F(12) is bonded in a distorted trigonal planar geometry to one Fe(10), one Fe(3), and one Fe(8) atom. In the thirteenth F site, F(13) is bonded in a distorted trigonal planar geometry to one Fe(4), one Fe(6), and one Fe(9) atom. In the fourteenth F site, F(14) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(6), and one Fe(8) atom. In the fifteenth F site, F(15) is bonded in a trigonal planar geometry to one Fe(5), one Fe(7), and one Fe(9) atom. is represented by the CIF card [CIF]
data_Fe2OF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.752
_cell_length_b   5.663
_cell_length_c   13.660
_cell_angle_alpha   79.672
_cell_angle_beta   89.764
_cell_angle_gamma   89.882
_symmetry_Int_Tables_number   1
_cell_volume   361.629
_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  0.500  0.499  0.999  1.0
  Fe  Fe1  1  0.491  0.696  0.402  1.0
  Fe  Fe2  1  0.472  0.094  0.212  1.0
  Fe  Fe3  1  0.551  0.287  0.592  1.0
  Fe  Fe4  1  0.515  0.909  0.790  1.0
  Fe  Fe5  1  0.005  0.197  0.400  1.0
  Fe  Fe6  1  0.032  0.395  0.811  1.0
  Fe  Fe7  1  0.966  0.599  0.186  1.0
  Fe  Fe8  1  0.994  0.807  0.604  1.0
  Fe  Fe9  1  0.998  0.001  0.000  1.0
  O  O10  1  0.786  0.701  0.049  1.0
  O  O11  1  0.704  0.393  0.456  1.0
  O  O12  1  0.691  0.996  0.651  1.0
  O  O13  1  0.290  0.996  0.352  1.0
  O  O14  1  0.212  0.298  0.953  1.0
  F  F15  1  0.813  0.262  0.264  1.0
  F  F16  1  0.802  0.070  0.868  1.0
  F  F17  1  0.798  0.479  0.665  1.0
  F  F18  1  0.796  0.887  0.456  1.0
  F  F19  1  0.707  0.191  0.067  1.0
  F  F20  1  0.686  0.564  0.863  1.0
  F  F21  1  0.688  0.761  0.268  1.0
  F  F22  1  0.303  0.241  0.725  1.0
  F  F23  1  0.317  0.436  0.141  1.0
  F  F24  1  0.292  0.809  0.938  1.0
  F  F25  1  0.307  0.623  0.538  1.0
  F  F26  1  0.190  0.930  0.135  1.0
  F  F27  1  0.196  0.147  0.534  1.0
  F  F28  1  0.201  0.508  0.338  1.0
  F  F29  1  0.195  0.725  0.743  1.0
[/CIF]
.
The compound described by Fe2OF3 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(1), one O(5), one F(10), one F(5), one F(6), and one F(9) atom to form FeO2F4 octahedra that share corners with two equivalent Fe(7)OF5 octahedra, corners with two equivalent Fe(8)OF5 octahedra, corners with four equivalent Fe(10)O2F4 octahedra,  an edgeedge with one Fe(3)OF5 octahedra, and  an edgeedge with one Fe(5)OF5 octahedra. The corner-sharing octahedral tilt angles range from 40-59°. In the second Fe site, Fe(2) is bonded to one O(2), one O(4), one F(11), one F(14), one F(4), and one F(7) atom to form FeO2F4 octahedra that share corners with two equivalent Fe(8)OF5 octahedra, corners with two equivalent Fe(9)OF5 octahedra, corners with four equivalent Fe(6)O2F4 octahedra,  an edgeedge with one Fe(4)O2F4 octahedra, and  an edgeedge with one Fe(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 40-53°. In the third Fe site, Fe(3) is bonded to one O(4), one F(1), one F(12), one F(5), one F(7), and one F(9) atom to form FeOF5 octahedra that share corners with two equivalent Fe(10)O2F4 octahedra, corners with two equivalent Fe(6)O2F4 octahedra, corners with four equivalent Fe(8)OF5 octahedra,  an edgeedge with one Fe(1)O2F4 octahedra, and  an edgeedge with one Fe(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 43-59°. In the fourth Fe site, Fe(4) is bonded to one O(2), one O(3), one F(11), one F(13), one F(3), and one F(8) atom to form distorted FeO2F4 octahedra that share corners with two equivalent Fe(6)O2F4 octahedra, corners with two equivalent Fe(7)OF5 octahedra, corners with four equivalent Fe(9)OF5 octahedra,  an edgeedge with one Fe(2)O2F4 octahedra, and  an edgeedge with one Fe(5)OF5 octahedra. The corner-sharing octahedral tilt angles range from 33-59°. In the fifth Fe site, Fe(5) is bonded to one O(3), one F(10), one F(15), one F(2), one F(6), and one F(8) atom to form FeOF5 octahedra that share corners with two equivalent Fe(10)O2F4 octahedra, corners with two equivalent Fe(9)OF5 octahedra, corners with four equivalent Fe(7)OF5 octahedra,  an edgeedge with one Fe(1)O2F4 octahedra, and  an edgeedge with one Fe(4)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 42-61°. In the sixth Fe site, Fe(6) is bonded to one O(2), one O(4), one F(1), one F(13), one F(14), and one F(4) atom to form FeO2F4 octahedra that share corners with two equivalent Fe(4)O2F4 octahedra, corners with two equivalent Fe(3)OF5 octahedra, corners with four equivalent Fe(2)O2F4 octahedra,  an edgeedge with one Fe(8)OF5 octahedra, and  an edgeedge with one Fe(9)OF5 octahedra. The corner-sharing octahedral tilt angles range from 42-59°. In the seventh Fe site, Fe(7) is bonded to one O(5), one F(15), one F(2), one F(3), one F(6), and one F(8) atom to form FeOF5 octahedra that share corners with two equivalent Fe(1)O2F4 octahedra, corners with two equivalent Fe(4)O2F4 octahedra, corners with four equivalent Fe(5)OF5 octahedra,  an edgeedge with one Fe(10)O2F4 octahedra, and  an edgeedge with one Fe(9)OF5 octahedra. The corner-sharing octahedral tilt angles range from 33-61°. In the eighth Fe site, Fe(8) is bonded to one O(1), one F(1), one F(12), one F(14), one F(7), and one F(9) atom to form distorted FeOF5 octahedra that share corners with two equivalent Fe(1)O2F4 octahedra, corners with two equivalent Fe(2)O2F4 octahedra, corners with four equivalent Fe(3)OF5 octahedra,  an edgeedge with one Fe(10)O2F4 octahedra, and  an edgeedge with one Fe(6)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 40-59°. In the ninth Fe site, Fe(9) is bonded to one O(3), one F(11), one F(13), one F(15), one F(3), and one F(4) atom to form FeOF5 octahedra that share corners with two equivalent Fe(2)O2F4 octahedra, corners with two equivalent Fe(5)OF5 octahedra, corners with four equivalent Fe(4)O2F4 octahedra,  an edgeedge with one Fe(6)O2F4 octahedra, and  an edgeedge with one Fe(7)OF5 octahedra. The corner-sharing octahedral tilt angles range from 47-57°. In the tenth Fe site, Fe(10) is bonded to one O(1), one O(5), one F(10), one F(12), one F(2), and one F(5) atom to form FeO2F4 octahedra that share corners with two equivalent Fe(3)OF5 octahedra, corners with two equivalent Fe(5)OF5 octahedra, corners with four equivalent Fe(1)O2F4 octahedra,  an edgeedge with one Fe(7)OF5 octahedra, and  an edgeedge with one Fe(8)OF5 octahedra. The corner-sharing octahedral tilt angles range from 40-55°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(10), and one Fe(8) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(2), one Fe(4), and one Fe(6) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Fe(4), one Fe(5), and one Fe(9) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(6) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(10), and one Fe(7) atom. There are fifteen inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Fe(3), one Fe(6), and one Fe(8) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Fe(10), one Fe(5), and one Fe(7) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Fe(4), one Fe(7), and one Fe(9) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(6), and one Fe(9) atom. In the fifth F site, F(5) is bonded in a 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(5), and one Fe(7) atom. In the seventh F site, F(7) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(8) atom. In the eighth F site, F(8) is bonded in a distorted trigonal planar geometry to one Fe(4), one Fe(5), and one Fe(7) atom. In the ninth F site, F(9) is bonded in a trigonal planar geometry to one Fe(1), one Fe(3), and one Fe(8) atom. In the tenth F site, F(10) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(10), and one Fe(5) atom. In the eleventh F site, F(11) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(4), and one Fe(9) atom. In the twelfth F site, F(12) is bonded in a distorted trigonal planar geometry to one Fe(10), one Fe(3), and one Fe(8) atom. In the thirteenth F site, F(13) is bonded in a distorted trigonal planar geometry to one Fe(4), one Fe(6), and one Fe(9) atom. In the fourteenth F site, F(14) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(6), and one Fe(8) atom. In the fifteenth F site, F(15) is bonded in a trigonal planar geometry to one Fe(5), one Fe(7), and one Fe(9) atom. is represented by the CIF card [CIF]
data_Fe2OF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.752
_cell_length_b   5.663
_cell_length_c   13.660
_cell_angle_alpha   79.672
_cell_angle_beta   89.764
_cell_angle_gamma   89.882
_symmetry_Int_Tables_number   1
_cell_volume   361.629
_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  0.500  0.499  0.999  1.0
  Fe  Fe1  1  0.491  0.696  0.402  1.0
  Fe  Fe2  1  0.472  0.094  0.212  1.0
  Fe  Fe3  1  0.551  0.287  0.592  1.0
  Fe  Fe4  1  0.515  0.909  0.790  1.0
  Fe  Fe5  1  0.005  0.197  0.400  1.0
  Fe  Fe6  1  0.032  0.395  0.811  1.0
  Fe  Fe7  1  0.966  0.599  0.186  1.0
  Fe  Fe8  1  0.994  0.807  0.604  1.0
  Fe  Fe9  1  0.998  0.001  0.000  1.0
  O  O10  1  0.786  0.701  0.049  1.0
  O  O11  1  0.704  0.393  0.456  1.0
  O  O12  1  0.691  0.996  0.651  1.0
  O  O13  1  0.290  0.996  0.352  1.0
  O  O14  1  0.212  0.298  0.953  1.0
  F  F15  1  0.813  0.262  0.264  1.0
  F  F16  1  0.802  0.070  0.868  1.0
  F  F17  1  0.798  0.479  0.665  1.0
  F  F18  1  0.796  0.887  0.456  1.0
  F  F19  1  0.707  0.191  0.067  1.0
  F  F20  1  0.686  0.564  0.863  1.0
  F  F21  1  0.688  0.761  0.268  1.0
  F  F22  1  0.303  0.241  0.725  1.0
  F  F23  1  0.317  0.436  0.141  1.0
  F  F24  1  0.292  0.809  0.938  1.0
  F  F25  1  0.307  0.623  0.538  1.0
  F  F26  1  0.190  0.930  0.135  1.0
  F  F27  1  0.196  0.147  0.534  1.0
  F  F28  1  0.201  0.508  0.338  1.0
  F  F29  1  0.195  0.725  0.743  1.0
[/CIF]
.