The material structure described by Fe4OF7 is Hydrophilite-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 edge and corner-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles range from 47-57°. 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 edge and corner-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles range from 41-57°. 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 41-54°. 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 45-58°. 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 47-57°. 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 46-55°. 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 38-58°. 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 38-54°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 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 trigonal planar 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 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 trigonal planar 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 trigonal planar 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 trigonal planar 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 trigonal planar geometry to one Fe(1), one Fe(4), and one Fe(7) atom. In the sixth F site, F(6) is bonded in a distorted T-shaped 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 trigonal planar 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 trigonal planar 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 trigonal planar 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 trigonal planar geometry to one Fe(3), one Fe(4), and one Fe(6) atom. is represented by the CIF card [CIF]
data_Fe4OF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.805
_cell_length_b   5.810
_cell_length_c   10.146
_cell_angle_alpha   99.615
_cell_angle_beta   100.961
_cell_angle_gamma   111.948
_symmetry_Int_Tables_number   1
_cell_volume   300.794
_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  0.128  0.245  1.0
  Fe  Fe1  1  0.875  0.373  0.753  1.0
  Fe  Fe2  1  0.252  0.267  0.493  1.0
  Fe  Fe3  1  0.739  0.745  0.495  1.0
  Fe  Fe4  1  0.505  0.513  0.997  1.0
  Fe  Fe5  1  0.387  0.876  0.754  1.0
  Fe  Fe6  1  0.142  0.617  0.261  1.0
  Fe  Fe7  1  0.967  0.982  0.991  1.0
  O  O8  1  0.346  0.528  0.407  1.0
  O  O9  1  0.619  0.810  0.903  1.0
  F  F10  1  0.866  0.066  0.399  1.0
  F  F11  1  0.921  0.216  0.145  1.0
  F  F12  1  0.576  0.280  0.853  1.0
  F  F13  1  0.328  0.027  0.357  1.0
  F  F14  1  0.820  0.524  0.348  1.0
  F  F15  1  0.928  0.716  0.104  1.0
  F  F16  1  0.634  0.433  0.603  1.0
  F  F17  1  0.370  0.187  0.093  1.0
  F  F18  1  0.089  0.284  0.904  1.0
  F  F19  1  0.684  0.979  0.648  1.0
  F  F20  1  0.169  0.466  0.648  1.0
  F  F21  1  0.434  0.727  0.153  1.0
  F  F22  1  0.075  0.777  0.853  1.0
  F  F23  1  0.162  0.971  0.597  1.0
[/CIF]
.
The material structure described by Fe4OF7 is Hydrophilite-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 edge and corner-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles range from 47-57°. 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 edge and corner-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles range from 41-57°. 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 41-54°. 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 45-58°. 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 47-57°. 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 46-55°. 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 38-58°. 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 38-54°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 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 trigonal planar 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 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 trigonal planar 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 trigonal planar 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 trigonal planar 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 trigonal planar geometry to one Fe(1), one Fe(4), and one Fe(7) atom. In the sixth F site, F(6) is bonded in a distorted T-shaped 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 trigonal planar 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 trigonal planar 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 trigonal planar 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 trigonal planar geometry to one Fe(3), one Fe(4), and one Fe(6) atom. is represented by the CIF card [CIF]
data_Fe4OF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.805
_cell_length_b   5.810
_cell_length_c   10.146
_cell_angle_alpha   99.615
_cell_angle_beta   100.961
_cell_angle_gamma   111.948
_symmetry_Int_Tables_number   1
_cell_volume   300.794
_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  0.128  0.245  1.0
  Fe  Fe1  1  0.875  0.373  0.753  1.0
  Fe  Fe2  1  0.252  0.267  0.493  1.0
  Fe  Fe3  1  0.739  0.745  0.495  1.0
  Fe  Fe4  1  0.505  0.513  0.997  1.0
  Fe  Fe5  1  0.387  0.876  0.754  1.0
  Fe  Fe6  1  0.142  0.617  0.261  1.0
  Fe  Fe7  1  0.967  0.982  0.991  1.0
  O  O8  1  0.346  0.528  0.407  1.0
  O  O9  1  0.619  0.810  0.903  1.0
  F  F10  1  0.866  0.066  0.399  1.0
  F  F11  1  0.921  0.216  0.145  1.0
  F  F12  1  0.576  0.280  0.853  1.0
  F  F13  1  0.328  0.027  0.357  1.0
  F  F14  1  0.820  0.524  0.348  1.0
  F  F15  1  0.928  0.716  0.104  1.0
  F  F16  1  0.634  0.433  0.603  1.0
  F  F17  1  0.370  0.187  0.093  1.0
  F  F18  1  0.089  0.284  0.904  1.0
  F  F19  1  0.684  0.979  0.648  1.0
  F  F20  1  0.169  0.466  0.648  1.0
  F  F21  1  0.434  0.727  0.153  1.0
  F  F22  1  0.075  0.777  0.853  1.0
  F  F23  1  0.162  0.971  0.597  1.0
[/CIF]
.