The material structure described by Li2Fe7(OF2)4 crystallizes in the monoclinic Cc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(4), one F(1), one F(5), one F(6), and one F(8) atom to form LiO2F4 octahedra that share corners with three equivalent Fe(4)OF3 tetrahedra, corners with three equivalent Fe(6)OF3 tetrahedra,  an edgeedge with one Fe(3)O2F4 octahedra,  an edgeedge with one Fe(5)O3F3 octahedra, edges with two equivalent Fe(7)O3F3 octahedra, and edges with two equivalent Fe(1)OF5 octahedra. In the second Li site, Li(2) is bonded to one O(2), one F(2), one F(4), and one F(7) atom to form LiOF3 tetrahedra that share corners with two equivalent Fe(2)O3F3 octahedra, corners with three equivalent Fe(3)O2F4 octahedra, corners with three equivalent Fe(5)O3F3 octahedra,  a cornercorner with one Fe(4)OF3 tetrahedra, and  a cornercorner with one Fe(6)OF3 tetrahedra. The corner-sharing octahedral tilt angles range from 52-65°. There are seven inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one F(1), two equivalent F(3), and two equivalent F(5) atoms to form FeOF5 octahedra that share corners with two equivalent Fe(2)O3F3 octahedra, corners with two equivalent Fe(4)OF3 tetrahedra, corners with two equivalent Fe(6)OF3 tetrahedra,  an edgeedge with one Fe(2)O3F3 octahedra, edges with two equivalent Li(1)O2F4 octahedra, edges with two equivalent Fe(3)O2F4 octahedra, and edges with two equivalent Fe(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 6-8°. In the second Fe site, Fe(2) is bonded to one O(2), two equivalent O(3), one F(7), and two equivalent F(3) atoms to form distorted FeO3F3 octahedra that share corners with two equivalent Fe(7)O3F3 octahedra, corners with two equivalent Fe(1)OF5 octahedra, corners with two equivalent Li(2)OF3 tetrahedra,  an edgeedge with one Fe(7)O3F3 octahedra,  an edgeedge with one Fe(1)OF5 octahedra, edges with two equivalent Fe(3)O2F4 octahedra, edges with two equivalent Fe(2)O3F3 octahedra, and edges with two equivalent Fe(5)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 6-9°. In the third Fe site, Fe(3) is bonded to one O(1), one O(2), one F(1), one F(2), one F(3), and one F(7) atom to form distorted FeO2F4 octahedra that share corners with three equivalent Li(2)OF3 tetrahedra, corners with three equivalent Fe(4)OF3 tetrahedra,  an edgeedge with one Li(1)O2F4 octahedra,  an edgeedge with one Fe(5)O3F3 octahedra, edges with two equivalent Fe(2)O3F3 octahedra, and edges with two equivalent Fe(1)OF5 octahedra. In the fourth Fe site, Fe(4) is bonded to one O(1), one F(1), one F(2), and one F(6) atom to form FeOF3 tetrahedra that share corners with two equivalent Fe(7)O3F3 octahedra, corners with two equivalent Fe(1)OF5 octahedra, corners with three equivalent Li(1)O2F4 octahedra, corners with three equivalent Fe(3)O2F4 octahedra, and  a cornercorner with one Li(2)OF3 tetrahedra. The corner-sharing octahedral tilt angles range from 46-68°. In the fifth Fe site, Fe(5) is bonded to one O(2), one O(3), one O(4), one F(4), one F(7), and one F(8) atom to form FeO3F3 octahedra that share corners with three equivalent Li(2)OF3 tetrahedra, corners with three equivalent Fe(6)OF3 tetrahedra,  an edgeedge with one Li(1)O2F4 octahedra,  an edgeedge with one Fe(3)O2F4 octahedra, edges with two equivalent Fe(2)O3F3 octahedra, and edges with two equivalent Fe(7)O3F3 octahedra. In the sixth Fe site, Fe(6) is bonded to one O(4), one F(4), one F(5), and one F(8) atom to form FeOF3 tetrahedra that share corners with two equivalent Fe(7)O3F3 octahedra, corners with two equivalent Fe(1)OF5 octahedra, corners with three equivalent Li(1)O2F4 octahedra, corners with three equivalent Fe(5)O3F3 octahedra, and  a cornercorner with one Li(2)OF3 tetrahedra. The corner-sharing octahedral tilt angles range from 47-71°. In the seventh Fe site, Fe(7) is bonded to one O(4), two equivalent O(3), one F(8), and two equivalent F(6) atoms to form FeO3F3 octahedra that share corners with two equivalent Fe(2)O3F3 octahedra, corners with two equivalent Fe(4)OF3 tetrahedra, corners with two equivalent Fe(6)OF3 tetrahedra,  an edgeedge with one Fe(2)O3F3 octahedra, edges with two equivalent Li(1)O2F4 octahedra, edges with two equivalent Fe(5)O3F3 octahedra, and edges with two equivalent Fe(7)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 7-9°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Fe(1), one Fe(3), and one Fe(4) atom to form OLiFe3 tetrahedra that share  a cornercorner with one F(3)Fe5 square pyramid,  a cornercorner with one O(2)LiFe3 tetrahedra,  a cornercorner with one O(4)LiFe3 trigonal pyramid,  a cornercorner with one F(7)LiFe3 trigonal pyramid, and  an edgeedge with one F(3)Fe5 square pyramid. In the second O site, O(2) is bonded to one Li(2), one Fe(2), one Fe(3), and one Fe(5) atom to form OLiFe3 tetrahedra that share  a cornercorner with one O(3)Fe5 square pyramid,  a cornercorner with one F(3)Fe5 square pyramid,  a cornercorner with one O(1)LiFe3 tetrahedra,  a cornercorner with one O(4)LiFe3 trigonal pyramid, corners with two equivalent F(7)LiFe3 trigonal pyramids,  an edgeedge with one O(3)Fe5 square pyramid,  an edgeedge with one F(3)Fe5 square pyramid, and  an edgeedge with one F(7)LiFe3 trigonal pyramid. In the third O site, O(3) is bonded to one Fe(5), two equivalent Fe(2), and two equivalent Fe(7) atoms to form OFe5 square pyramids that share corners with two equivalent F(3)Fe5 square pyramids,  a cornercorner with one O(2)LiFe3 tetrahedra,  a cornercorner with one O(4)LiFe3 trigonal pyramid,  a cornercorner with one F(7)LiFe3 trigonal pyramid,  an edgeedge with one F(3)Fe5 square pyramid, edges with two equivalent O(3)Fe5 square pyramids,  an edgeedge with one O(2)LiFe3 tetrahedra,  an edgeedge with one O(4)LiFe3 trigonal pyramid, and  an edgeedge with one F(7)LiFe3 trigonal pyramid. In the fourth O site, O(4) is bonded to one Li(1), one Fe(5), one Fe(6), and one Fe(7) atom to form distorted OLiFe3 trigonal pyramids that share  a cornercorner with one O(3)Fe5 square pyramid,  a cornercorner with one O(1)LiFe3 tetrahedra,  a cornercorner with one O(2)LiFe3 tetrahedra,  a cornercorner with one F(7)LiFe3 trigonal pyramid, and  an edgeedge with one O(3)Fe5 square pyramid. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one Fe(1), one Fe(3), and one Fe(4) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to one Li(2), one Fe(3), and one Fe(4) atom. In the third F site, F(3) is bonded to one Fe(3), two equivalent Fe(1), and two equivalent Fe(2) atoms to form FFe5 square pyramids that share corners with two equivalent O(3)Fe5 square pyramids,  a cornercorner with one O(1)LiFe3 tetrahedra,  a cornercorner with one O(2)LiFe3 tetrahedra,  a cornercorner with one F(7)LiFe3 trigonal pyramid,  an edgeedge with one O(3)Fe5 square pyramid, edges with two equivalent F(3)Fe5 square pyramids,  an edgeedge with one O(1)LiFe3 tetrahedra,  an edgeedge with one O(2)LiFe3 tetrahedra, and  an edgeedge with one F(7)LiFe3 trigonal pyramid. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Li(2), one Fe(5), and one Fe(6) atom. In the fifth F site, F(5) is bonded in a rectangular see-saw-like geometry to one Li(1), one Fe(6), and two equivalent Fe(1) atoms. In the sixth F site, F(6) is bonded in a rectangular see-saw-like geometry to one Li(1), one Fe(4), and two equivalent Fe(7) atoms. In the seventh F site, F(7) is bonded to one Li(2), one Fe(2), one Fe(3), and one Fe(5) atom to form distorted FLiFe3 trigonal pyramids that share  a cornercorner with one O(3)Fe5 square pyramid,  a cornercorner with one F(3)Fe5 square pyramid,  a cornercorner with one O(1)LiFe3 tetrahedra, corners with two equivalent O(2)LiFe3 tetrahedra,  a cornercorner with one O(4)LiFe3 trigonal pyramid,  an edgeedge with one O(3)Fe5 square pyramid,  an edgeedge with one F(3)Fe5 square pyramid, and  an edgeedge with one O(2)LiFe3 tetrahedra. In the eighth F site, F(8) is bonded in a rectangular see-saw-like geometry to one Li(1), one Fe(5), one Fe(6), and one Fe(7) atom. is represented by the CIF card [CIF]
data_Li2Fe7(OF2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.087
_cell_length_b   11.087
_cell_length_c   6.355
_cell_angle_alpha   73.615
_cell_angle_beta   73.615
_cell_angle_gamma   45.365
_symmetry_Int_Tables_number   1
_cell_volume   529.267
_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
  Li  Li0  1  0.996  0.496  0.982  1.0
  Li  Li1  1  0.496  0.996  0.482  1.0
  Li  Li2  1  0.142  0.850  0.261  1.0
  Li  Li3  1  0.850  0.142  0.761  1.0
  Fe  Fe4  1  0.320  0.344  0.669  1.0
  Fe  Fe5  1  0.503  0.518  0.487  1.0
  Fe  Fe6  1  0.695  0.141  0.295  1.0
  Fe  Fe7  1  0.975  0.676  0.451  1.0
  Fe  Fe8  1  0.850  0.317  0.129  1.0
  Fe  Fe9  1  0.308  0.020  0.101  1.0
  Fe  Fe10  1  0.344  0.320  0.169  1.0
  Fe  Fe11  1  0.518  0.503  0.987  1.0
  Fe  Fe12  1  0.672  0.642  0.831  1.0
  Fe  Fe13  1  0.676  0.975  0.951  1.0
  Fe  Fe14  1  0.317  0.850  0.629  1.0
  Fe  Fe15  1  0.141  0.695  0.795  1.0
  Fe  Fe16  1  0.020  0.308  0.601  1.0
  Fe  Fe17  1  0.642  0.672  0.331  1.0
  O  O18  1  0.088  0.570  0.712  1.0
  O  O19  1  0.261  0.733  0.528  1.0
  O  O20  1  0.601  0.570  0.168  1.0
  O  O21  1  0.570  0.088  0.212  1.0
  O  O22  1  0.923  0.415  0.864  1.0
  O  O23  1  0.733  0.261  0.028  1.0
  O  O24  1  0.570  0.601  0.668  1.0
  O  O25  1  0.415  0.923  0.364  1.0
  F  F26  1  0.569  0.098  0.656  1.0
  F  F27  1  0.935  0.889  0.332  1.0
  F  F28  1  0.418  0.405  0.345  1.0
  F  F29  1  0.095  0.060  0.155  1.0
  F  F30  1  0.249  0.264  0.496  1.0
  F  F31  1  0.732  0.747  0.001  1.0
  F  F32  1  0.264  0.729  0.984  1.0
  F  F33  1  0.098  0.569  0.156  1.0
  F  F34  1  0.419  0.918  0.809  1.0
  F  F35  1  0.747  0.732  0.501  1.0
  F  F36  1  0.405  0.418  0.845  1.0
  F  F37  1  0.264  0.249  0.996  1.0
  F  F38  1  0.889  0.935  0.832  1.0
  F  F39  1  0.060  0.095  0.655  1.0
  F  F40  1  0.729  0.264  0.484  1.0
  F  F41  1  0.918  0.419  0.309  1.0
[/CIF]
.
The material structure described by Li2Fe7(OF2)4 crystallizes in the monoclinic Cc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(4), one F(1), one F(5), one F(6), and one F(8) atom to form LiO2F4 octahedra that share corners with three equivalent Fe(4)OF3 tetrahedra, corners with three equivalent Fe(6)OF3 tetrahedra,  an edgeedge with one Fe(3)O2F4 octahedra,  an edgeedge with one Fe(5)O3F3 octahedra, edges with two equivalent Fe(7)O3F3 octahedra, and edges with two equivalent Fe(1)OF5 octahedra. In the second Li site, Li(2) is bonded to one O(2), one F(2), one F(4), and one F(7) atom to form LiOF3 tetrahedra that share corners with two equivalent Fe(2)O3F3 octahedra, corners with three equivalent Fe(3)O2F4 octahedra, corners with three equivalent Fe(5)O3F3 octahedra,  a cornercorner with one Fe(4)OF3 tetrahedra, and  a cornercorner with one Fe(6)OF3 tetrahedra. The corner-sharing octahedral tilt angles range from 52-65°. There are seven inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one F(1), two equivalent F(3), and two equivalent F(5) atoms to form FeOF5 octahedra that share corners with two equivalent Fe(2)O3F3 octahedra, corners with two equivalent Fe(4)OF3 tetrahedra, corners with two equivalent Fe(6)OF3 tetrahedra,  an edgeedge with one Fe(2)O3F3 octahedra, edges with two equivalent Li(1)O2F4 octahedra, edges with two equivalent Fe(3)O2F4 octahedra, and edges with two equivalent Fe(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 6-8°. In the second Fe site, Fe(2) is bonded to one O(2), two equivalent O(3), one F(7), and two equivalent F(3) atoms to form distorted FeO3F3 octahedra that share corners with two equivalent Fe(7)O3F3 octahedra, corners with two equivalent Fe(1)OF5 octahedra, corners with two equivalent Li(2)OF3 tetrahedra,  an edgeedge with one Fe(7)O3F3 octahedra,  an edgeedge with one Fe(1)OF5 octahedra, edges with two equivalent Fe(3)O2F4 octahedra, edges with two equivalent Fe(2)O3F3 octahedra, and edges with two equivalent Fe(5)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 6-9°. In the third Fe site, Fe(3) is bonded to one O(1), one O(2), one F(1), one F(2), one F(3), and one F(7) atom to form distorted FeO2F4 octahedra that share corners with three equivalent Li(2)OF3 tetrahedra, corners with three equivalent Fe(4)OF3 tetrahedra,  an edgeedge with one Li(1)O2F4 octahedra,  an edgeedge with one Fe(5)O3F3 octahedra, edges with two equivalent Fe(2)O3F3 octahedra, and edges with two equivalent Fe(1)OF5 octahedra. In the fourth Fe site, Fe(4) is bonded to one O(1), one F(1), one F(2), and one F(6) atom to form FeOF3 tetrahedra that share corners with two equivalent Fe(7)O3F3 octahedra, corners with two equivalent Fe(1)OF5 octahedra, corners with three equivalent Li(1)O2F4 octahedra, corners with three equivalent Fe(3)O2F4 octahedra, and  a cornercorner with one Li(2)OF3 tetrahedra. The corner-sharing octahedral tilt angles range from 46-68°. In the fifth Fe site, Fe(5) is bonded to one O(2), one O(3), one O(4), one F(4), one F(7), and one F(8) atom to form FeO3F3 octahedra that share corners with three equivalent Li(2)OF3 tetrahedra, corners with three equivalent Fe(6)OF3 tetrahedra,  an edgeedge with one Li(1)O2F4 octahedra,  an edgeedge with one Fe(3)O2F4 octahedra, edges with two equivalent Fe(2)O3F3 octahedra, and edges with two equivalent Fe(7)O3F3 octahedra. In the sixth Fe site, Fe(6) is bonded to one O(4), one F(4), one F(5), and one F(8) atom to form FeOF3 tetrahedra that share corners with two equivalent Fe(7)O3F3 octahedra, corners with two equivalent Fe(1)OF5 octahedra, corners with three equivalent Li(1)O2F4 octahedra, corners with three equivalent Fe(5)O3F3 octahedra, and  a cornercorner with one Li(2)OF3 tetrahedra. The corner-sharing octahedral tilt angles range from 47-71°. In the seventh Fe site, Fe(7) is bonded to one O(4), two equivalent O(3), one F(8), and two equivalent F(6) atoms to form FeO3F3 octahedra that share corners with two equivalent Fe(2)O3F3 octahedra, corners with two equivalent Fe(4)OF3 tetrahedra, corners with two equivalent Fe(6)OF3 tetrahedra,  an edgeedge with one Fe(2)O3F3 octahedra, edges with two equivalent Li(1)O2F4 octahedra, edges with two equivalent Fe(5)O3F3 octahedra, and edges with two equivalent Fe(7)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 7-9°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Fe(1), one Fe(3), and one Fe(4) atom to form OLiFe3 tetrahedra that share  a cornercorner with one F(3)Fe5 square pyramid,  a cornercorner with one O(2)LiFe3 tetrahedra,  a cornercorner with one O(4)LiFe3 trigonal pyramid,  a cornercorner with one F(7)LiFe3 trigonal pyramid, and  an edgeedge with one F(3)Fe5 square pyramid. In the second O site, O(2) is bonded to one Li(2), one Fe(2), one Fe(3), and one Fe(5) atom to form OLiFe3 tetrahedra that share  a cornercorner with one O(3)Fe5 square pyramid,  a cornercorner with one F(3)Fe5 square pyramid,  a cornercorner with one O(1)LiFe3 tetrahedra,  a cornercorner with one O(4)LiFe3 trigonal pyramid, corners with two equivalent F(7)LiFe3 trigonal pyramids,  an edgeedge with one O(3)Fe5 square pyramid,  an edgeedge with one F(3)Fe5 square pyramid, and  an edgeedge with one F(7)LiFe3 trigonal pyramid. In the third O site, O(3) is bonded to one Fe(5), two equivalent Fe(2), and two equivalent Fe(7) atoms to form OFe5 square pyramids that share corners with two equivalent F(3)Fe5 square pyramids,  a cornercorner with one O(2)LiFe3 tetrahedra,  a cornercorner with one O(4)LiFe3 trigonal pyramid,  a cornercorner with one F(7)LiFe3 trigonal pyramid,  an edgeedge with one F(3)Fe5 square pyramid, edges with two equivalent O(3)Fe5 square pyramids,  an edgeedge with one O(2)LiFe3 tetrahedra,  an edgeedge with one O(4)LiFe3 trigonal pyramid, and  an edgeedge with one F(7)LiFe3 trigonal pyramid. In the fourth O site, O(4) is bonded to one Li(1), one Fe(5), one Fe(6), and one Fe(7) atom to form distorted OLiFe3 trigonal pyramids that share  a cornercorner with one O(3)Fe5 square pyramid,  a cornercorner with one O(1)LiFe3 tetrahedra,  a cornercorner with one O(2)LiFe3 tetrahedra,  a cornercorner with one F(7)LiFe3 trigonal pyramid, and  an edgeedge with one O(3)Fe5 square pyramid. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one Fe(1), one Fe(3), and one Fe(4) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to one Li(2), one Fe(3), and one Fe(4) atom. In the third F site, F(3) is bonded to one Fe(3), two equivalent Fe(1), and two equivalent Fe(2) atoms to form FFe5 square pyramids that share corners with two equivalent O(3)Fe5 square pyramids,  a cornercorner with one O(1)LiFe3 tetrahedra,  a cornercorner with one O(2)LiFe3 tetrahedra,  a cornercorner with one F(7)LiFe3 trigonal pyramid,  an edgeedge with one O(3)Fe5 square pyramid, edges with two equivalent F(3)Fe5 square pyramids,  an edgeedge with one O(1)LiFe3 tetrahedra,  an edgeedge with one O(2)LiFe3 tetrahedra, and  an edgeedge with one F(7)LiFe3 trigonal pyramid. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Li(2), one Fe(5), and one Fe(6) atom. In the fifth F site, F(5) is bonded in a rectangular see-saw-like geometry to one Li(1), one Fe(6), and two equivalent Fe(1) atoms. In the sixth F site, F(6) is bonded in a rectangular see-saw-like geometry to one Li(1), one Fe(4), and two equivalent Fe(7) atoms. In the seventh F site, F(7) is bonded to one Li(2), one Fe(2), one Fe(3), and one Fe(5) atom to form distorted FLiFe3 trigonal pyramids that share  a cornercorner with one O(3)Fe5 square pyramid,  a cornercorner with one F(3)Fe5 square pyramid,  a cornercorner with one O(1)LiFe3 tetrahedra, corners with two equivalent O(2)LiFe3 tetrahedra,  a cornercorner with one O(4)LiFe3 trigonal pyramid,  an edgeedge with one O(3)Fe5 square pyramid,  an edgeedge with one F(3)Fe5 square pyramid, and  an edgeedge with one O(2)LiFe3 tetrahedra. In the eighth F site, F(8) is bonded in a rectangular see-saw-like geometry to one Li(1), one Fe(5), one Fe(6), and one Fe(7) atom. is represented by the CIF card [CIF]
data_Li2Fe7(OF2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.087
_cell_length_b   11.087
_cell_length_c   6.355
_cell_angle_alpha   73.615
_cell_angle_beta   73.615
_cell_angle_gamma   45.365
_symmetry_Int_Tables_number   1
_cell_volume   529.267
_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
  Li  Li0  1  0.996  0.496  0.982  1.0
  Li  Li1  1  0.496  0.996  0.482  1.0
  Li  Li2  1  0.142  0.850  0.261  1.0
  Li  Li3  1  0.850  0.142  0.761  1.0
  Fe  Fe4  1  0.320  0.344  0.669  1.0
  Fe  Fe5  1  0.503  0.518  0.487  1.0
  Fe  Fe6  1  0.695  0.141  0.295  1.0
  Fe  Fe7  1  0.975  0.676  0.451  1.0
  Fe  Fe8  1  0.850  0.317  0.129  1.0
  Fe  Fe9  1  0.308  0.020  0.101  1.0
  Fe  Fe10  1  0.344  0.320  0.169  1.0
  Fe  Fe11  1  0.518  0.503  0.987  1.0
  Fe  Fe12  1  0.672  0.642  0.831  1.0
  Fe  Fe13  1  0.676  0.975  0.951  1.0
  Fe  Fe14  1  0.317  0.850  0.629  1.0
  Fe  Fe15  1  0.141  0.695  0.795  1.0
  Fe  Fe16  1  0.020  0.308  0.601  1.0
  Fe  Fe17  1  0.642  0.672  0.331  1.0
  O  O18  1  0.088  0.570  0.712  1.0
  O  O19  1  0.261  0.733  0.528  1.0
  O  O20  1  0.601  0.570  0.168  1.0
  O  O21  1  0.570  0.088  0.212  1.0
  O  O22  1  0.923  0.415  0.864  1.0
  O  O23  1  0.733  0.261  0.028  1.0
  O  O24  1  0.570  0.601  0.668  1.0
  O  O25  1  0.415  0.923  0.364  1.0
  F  F26  1  0.569  0.098  0.656  1.0
  F  F27  1  0.935  0.889  0.332  1.0
  F  F28  1  0.418  0.405  0.345  1.0
  F  F29  1  0.095  0.060  0.155  1.0
  F  F30  1  0.249  0.264  0.496  1.0
  F  F31  1  0.732  0.747  0.001  1.0
  F  F32  1  0.264  0.729  0.984  1.0
  F  F33  1  0.098  0.569  0.156  1.0
  F  F34  1  0.419  0.918  0.809  1.0
  F  F35  1  0.747  0.732  0.501  1.0
  F  F36  1  0.405  0.418  0.845  1.0
  F  F37  1  0.264  0.249  0.996  1.0
  F  F38  1  0.889  0.935  0.832  1.0
  F  F39  1  0.060  0.095  0.655  1.0
  F  F40  1  0.729  0.264  0.484  1.0
  F  F41  1  0.918  0.419  0.309  1.0
[/CIF]
.