The compound described by Fe4OF7 is Rutile-derived structured and crystallizes in the triclinic P1 space group. There are eight inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one F(1), one F(12), one F(2), one F(4), one F(5), and one F(8) atom to form a mixture of corner and edge-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. In the second Fe site, Fe(2) is bonded to one F(10), one F(11), one F(13), one F(3), one F(7), and one F(9) atom to form a mixture of corner and edge-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles range from 42-53°. In the third Fe site, Fe(3) is bonded to one O(1), one F(1), one F(11), one F(14), one F(4), and one F(7) atom to form FeOF5 octahedra that share corners with two equivalent Fe(1)F6 octahedra, corners with two equivalent Fe(2)F6 octahedra, corners with two equivalent Fe(6)OF5 octahedra, corners with two equivalent Fe(7)OF5 octahedra, and edges with two equivalent Fe(4)OF5 octahedra. The corner-sharing octahedral tilt angles range from 43-51°. In the fourth Fe site, Fe(4) is bonded to one O(1), one F(1), one F(10), one F(14), one F(5), and one F(7) atom to form FeOF5 octahedra that share corners with two equivalent Fe(1)F6 octahedra, corners with two equivalent Fe(2)F6 octahedra, corners with two equivalent Fe(6)OF5 octahedra, corners with two equivalent Fe(7)OF5 octahedra, and edges with two equivalent Fe(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 42-50°. In the fifth Fe site, Fe(5) is bonded to one O(2), one F(12), one F(3), one F(6), one F(8), and one F(9) atom to form FeOF5 octahedra that share corners with two equivalent Fe(1)F6 octahedra, corners with two equivalent Fe(2)F6 octahedra, corners with two equivalent Fe(6)OF5 octahedra, corners with two equivalent Fe(7)OF5 octahedra, and edges with two equivalent Fe(8)OF5 octahedra. The corner-sharing octahedral tilt angles range from 40-52°. In the sixth Fe site, Fe(6) is bonded to one O(2), one F(10), one F(11), one F(13), one F(14), and one F(3) atom to form FeOF5 octahedra that share corners with two equivalent Fe(3)OF5 octahedra, corners with two equivalent Fe(4)OF5 octahedra, corners with two equivalent Fe(5)OF5 octahedra, corners with two equivalent Fe(8)OF5 octahedra, and edges with two equivalent Fe(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 42-51°. In the seventh Fe site, Fe(7) is bonded to one O(1), one F(12), one F(2), one F(4), one F(5), and one F(6) atom to form FeOF5 octahedra that share corners with two equivalent Fe(3)OF5 octahedra, corners with two equivalent Fe(4)OF5 octahedra, corners with two equivalent Fe(5)OF5 octahedra, corners with two equivalent Fe(8)OF5 octahedra, and edges with two equivalent Fe(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 39-48°. In the eighth Fe site, Fe(8) is bonded to one O(2), one F(13), one F(2), one F(6), one F(8), and one F(9) atom to form FeOF5 octahedra that share corners with two equivalent Fe(1)F6 octahedra, corners with two equivalent Fe(2)F6 octahedra, corners with two equivalent Fe(6)OF5 octahedra, corners with two equivalent Fe(7)OF5 octahedra, and edges with two equivalent Fe(5)OF5 octahedra. The corner-sharing octahedral tilt angles range from 39-53°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Fe(3), one Fe(4), and one Fe(7) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Fe(5), one Fe(6), and one Fe(8) atom. There are fourteen inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(3), and one Fe(4) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Fe(1), one Fe(7), and one Fe(8) atom. In the third F site, F(3) is bonded in a distorted T-shaped geometry to one Fe(2), one Fe(5), and one Fe(6) atom. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one Fe(1), one Fe(3), and one Fe(7) atom. In the fifth F site, F(5) is bonded in a distorted T-shaped geometry to one Fe(1), one Fe(4), and one Fe(7) atom. In the sixth F site, F(6) is bonded in a 3-coordinate geometry to one Fe(5), one Fe(7), and one Fe(8) atom. In the seventh F site, F(7) is bonded in a distorted T-shaped geometry to one Fe(2), one Fe(3), and one Fe(4) atom. In the eighth F site, F(8) is bonded in a trigonal planar geometry to one Fe(1), 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(8) atom. In the tenth F site, F(10) is bonded in a distorted T-shaped geometry to one Fe(2), one Fe(4), and one Fe(6) atom. In the eleventh F site, F(11) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(6) atom. In the twelfth F site, F(12) is bonded in a distorted T-shaped geometry to one Fe(1), one Fe(5), 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(6), and one Fe(8) atom. In the fourteenth F site, F(14) is bonded in a distorted trigonal planar geometry to one Fe(3), one Fe(4), and one Fe(6) atom. is represented by the CIF file [CIF]
data_Fe4OF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.791
_cell_length_b   10.337
_cell_length_c   5.803
_cell_angle_alpha   82.204
_cell_angle_beta   63.407
_cell_angle_gamma   99.934
_symmetry_Int_Tables_number   1
_cell_volume   296.881
_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  0.615  0.245  0.873  1.0
  Fe  Fe1  1  0.880  0.755  0.628  1.0
  Fe  Fe2  1  0.259  0.496  0.731  1.0
  Fe  Fe3  1  0.730  0.496  0.264  1.0
  Fe  Fe4  1  0.523  0.997  0.468  1.0
  Fe  Fe5  1  0.391  0.759  0.127  1.0
  Fe  Fe6  1  0.148  0.264  0.385  1.0
  Fe  Fe7  1  0.964  0.996  0.028  1.0
  O  O8  1  0.353  0.399  0.455  1.0
  O  O9  1  0.593  0.895  0.199  1.0
  F  F10  1  0.842  0.396  0.948  1.0
  F  F11  1  0.919  0.147  0.783  1.0
  F  F12  1  0.573  0.851  0.720  1.0
  F  F13  1  0.324  0.351  0.974  1.0
  F  F14  1  0.823  0.351  0.476  1.0
  F  F15  1  0.920  0.113  0.306  1.0
  F  F16  1  0.661  0.608  0.553  1.0
  F  F17  1  0.392  0.095  0.798  1.0
  F  F18  1  0.100  0.902  0.699  1.0
  F  F19  1  0.679  0.647  0.022  1.0
  F  F20  1  0.167  0.647  0.528  1.0
  F  F21  1  0.431  0.148  0.274  1.0
  F  F22  1  0.070  0.849  0.224  1.0
  F  F23  1  0.146  0.596  0.045  1.0
[/CIF]
.
The compound described by Fe4OF7 is Rutile-derived structured and crystallizes in the triclinic P1 space group. There are eight inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one F(1), one F(12), one F(2), one F(4), one F(5), and one F(8) atom to form a mixture of corner and edge-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. In the second Fe site, Fe(2) is bonded to one F(10), one F(11), one F(13), one F(3), one F(7), and one F(9) atom to form a mixture of corner and edge-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles range from 42-53°. In the third Fe site, Fe(3) is bonded to one O(1), one F(1), one F(11), one F(14), one F(4), and one F(7) atom to form FeOF5 octahedra that share corners with two equivalent Fe(1)F6 octahedra, corners with two equivalent Fe(2)F6 octahedra, corners with two equivalent Fe(6)OF5 octahedra, corners with two equivalent Fe(7)OF5 octahedra, and edges with two equivalent Fe(4)OF5 octahedra. The corner-sharing octahedral tilt angles range from 43-51°. In the fourth Fe site, Fe(4) is bonded to one O(1), one F(1), one F(10), one F(14), one F(5), and one F(7) atom to form FeOF5 octahedra that share corners with two equivalent Fe(1)F6 octahedra, corners with two equivalent Fe(2)F6 octahedra, corners with two equivalent Fe(6)OF5 octahedra, corners with two equivalent Fe(7)OF5 octahedra, and edges with two equivalent Fe(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 42-50°. In the fifth Fe site, Fe(5) is bonded to one O(2), one F(12), one F(3), one F(6), one F(8), and one F(9) atom to form FeOF5 octahedra that share corners with two equivalent Fe(1)F6 octahedra, corners with two equivalent Fe(2)F6 octahedra, corners with two equivalent Fe(6)OF5 octahedra, corners with two equivalent Fe(7)OF5 octahedra, and edges with two equivalent Fe(8)OF5 octahedra. The corner-sharing octahedral tilt angles range from 40-52°. In the sixth Fe site, Fe(6) is bonded to one O(2), one F(10), one F(11), one F(13), one F(14), and one F(3) atom to form FeOF5 octahedra that share corners with two equivalent Fe(3)OF5 octahedra, corners with two equivalent Fe(4)OF5 octahedra, corners with two equivalent Fe(5)OF5 octahedra, corners with two equivalent Fe(8)OF5 octahedra, and edges with two equivalent Fe(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 42-51°. In the seventh Fe site, Fe(7) is bonded to one O(1), one F(12), one F(2), one F(4), one F(5), and one F(6) atom to form FeOF5 octahedra that share corners with two equivalent Fe(3)OF5 octahedra, corners with two equivalent Fe(4)OF5 octahedra, corners with two equivalent Fe(5)OF5 octahedra, corners with two equivalent Fe(8)OF5 octahedra, and edges with two equivalent Fe(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 39-48°. In the eighth Fe site, Fe(8) is bonded to one O(2), one F(13), one F(2), one F(6), one F(8), and one F(9) atom to form FeOF5 octahedra that share corners with two equivalent Fe(1)F6 octahedra, corners with two equivalent Fe(2)F6 octahedra, corners with two equivalent Fe(6)OF5 octahedra, corners with two equivalent Fe(7)OF5 octahedra, and edges with two equivalent Fe(5)OF5 octahedra. The corner-sharing octahedral tilt angles range from 39-53°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Fe(3), one Fe(4), and one Fe(7) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Fe(5), one Fe(6), and one Fe(8) atom. There are fourteen inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(3), and one Fe(4) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Fe(1), one Fe(7), and one Fe(8) atom. In the third F site, F(3) is bonded in a distorted T-shaped geometry to one Fe(2), one Fe(5), and one Fe(6) atom. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one Fe(1), one Fe(3), and one Fe(7) atom. In the fifth F site, F(5) is bonded in a distorted T-shaped geometry to one Fe(1), one Fe(4), and one Fe(7) atom. In the sixth F site, F(6) is bonded in a 3-coordinate geometry to one Fe(5), one Fe(7), and one Fe(8) atom. In the seventh F site, F(7) is bonded in a distorted T-shaped geometry to one Fe(2), one Fe(3), and one Fe(4) atom. In the eighth F site, F(8) is bonded in a trigonal planar geometry to one Fe(1), 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(8) atom. In the tenth F site, F(10) is bonded in a distorted T-shaped geometry to one Fe(2), one Fe(4), and one Fe(6) atom. In the eleventh F site, F(11) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(6) atom. In the twelfth F site, F(12) is bonded in a distorted T-shaped geometry to one Fe(1), one Fe(5), 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(6), and one Fe(8) atom. In the fourteenth F site, F(14) is bonded in a distorted trigonal planar geometry to one Fe(3), one Fe(4), and one Fe(6) atom. is represented by the CIF file [CIF]
data_Fe4OF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.791
_cell_length_b   10.337
_cell_length_c   5.803
_cell_angle_alpha   82.204
_cell_angle_beta   63.407
_cell_angle_gamma   99.934
_symmetry_Int_Tables_number   1
_cell_volume   296.881
_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  0.615  0.245  0.873  1.0
  Fe  Fe1  1  0.880  0.755  0.628  1.0
  Fe  Fe2  1  0.259  0.496  0.731  1.0
  Fe  Fe3  1  0.730  0.496  0.264  1.0
  Fe  Fe4  1  0.523  0.997  0.468  1.0
  Fe  Fe5  1  0.391  0.759  0.127  1.0
  Fe  Fe6  1  0.148  0.264  0.385  1.0
  Fe  Fe7  1  0.964  0.996  0.028  1.0
  O  O8  1  0.353  0.399  0.455  1.0
  O  O9  1  0.593  0.895  0.199  1.0
  F  F10  1  0.842  0.396  0.948  1.0
  F  F11  1  0.919  0.147  0.783  1.0
  F  F12  1  0.573  0.851  0.720  1.0
  F  F13  1  0.324  0.351  0.974  1.0
  F  F14  1  0.823  0.351  0.476  1.0
  F  F15  1  0.920  0.113  0.306  1.0
  F  F16  1  0.661  0.608  0.553  1.0
  F  F17  1  0.392  0.095  0.798  1.0
  F  F18  1  0.100  0.902  0.699  1.0
  F  F19  1  0.679  0.647  0.022  1.0
  F  F20  1  0.167  0.647  0.528  1.0
  F  F21  1  0.431  0.148  0.274  1.0
  F  F22  1  0.070  0.849  0.224  1.0
  F  F23  1  0.146  0.596  0.045  1.0
[/CIF]
.