The material structure described by Li3Fe9O5F11 is Spinel-derived structured and crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(10), one F(11), one F(4), one F(5), one F(8), and one F(9) atom to form LiF6 octahedra that share  a cornercorner with one Fe(8)F4 tetrahedra,  a cornercorner with one Fe(7)O2F2 tetrahedra, corners with two equivalent Fe(6)O2F2 tetrahedra, corners with two equivalent Fe(3)OF3 tetrahedra,  an edgeedge with one Li(3)OF5 octahedra,  an edgeedge with one Fe(1)O2F4 octahedra, edges with two equivalent Li(2)OF5 octahedra, and edges with two equivalent Fe(9)OF5 octahedra. In the second Li site, Li(2) is bonded to one O(5), one F(11), one F(4), one F(7), one F(8), and one F(9) atom to form LiOF5 octahedra that share  a cornercorner with one Fe(8)F4 tetrahedra,  a cornercorner with one Fe(7)O2F2 tetrahedra, corners with two equivalent Fe(6)O2F2 tetrahedra, corners with two equivalent Fe(3)OF3 tetrahedra,  an edgeedge with one Li(3)OF5 octahedra,  an edgeedge with one Fe(1)O2F4 octahedra, edges with two equivalent Li(1)F6 octahedra, and edges with two equivalent Fe(9)OF5 octahedra. In the third Li site, Li(3) is bonded to one O(5), one F(10), one F(2), one F(3), one F(6), and one F(9) atom to form distorted LiOF5 octahedra that share corners with three equivalent Fe(8)F4 tetrahedra, corners with three equivalent Fe(6)O2F2 tetrahedra,  an edgeedge with one Li(1)F6 octahedra,  an edgeedge with one Li(2)OF5 octahedra,  an edgeedge with one Fe(4)O3F3 octahedra,  an edgeedge with one Fe(5)O3F3 octahedra,  an edgeedge with one Fe(2)O4F2 octahedra, and  an edgeedge with one Fe(9)OF5 octahedra. There are nine inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(3), one F(1), one F(5), one F(7), and one F(8) atom to form FeO2F4 octahedra that share corners with three equivalent Fe(7)O2F2 tetrahedra, corners with three equivalent Fe(3)OF3 tetrahedra,  an edgeedge with one Li(1)F6 octahedra,  an edgeedge with one Li(2)OF5 octahedra,  an edgeedge with one Fe(4)O3F3 octahedra,  an edgeedge with one Fe(5)O3F3 octahedra,  an edgeedge with one Fe(2)O4F2 octahedra, and  an edgeedge with one Fe(9)OF5 octahedra. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), one O(3), one O(4), one F(2), and one F(3) atom to form FeO4F2 octahedra that share  a cornercorner with one Fe(6)O2F2 tetrahedra,  a cornercorner with one Fe(3)OF3 tetrahedra, corners with two equivalent Fe(8)F4 tetrahedra, corners with two equivalent Fe(7)O2F2 tetrahedra,  an edgeedge with one Li(3)OF5 octahedra,  an edgeedge with one Fe(1)O2F4 octahedra, edges with two equivalent Fe(4)O3F3 octahedra, and edges with two equivalent Fe(5)O3F3 octahedra. In the third Fe site, Fe(3) is bonded to one O(4), one F(5), one F(7), and one F(8) atom to form FeOF3 tetrahedra that share  a cornercorner with one Fe(4)O3F3 octahedra,  a cornercorner with one Fe(5)O3F3 octahedra,  a cornercorner with one Fe(2)O4F2 octahedra, corners with two equivalent Li(1)F6 octahedra, corners with two equivalent Li(2)OF5 octahedra, corners with two equivalent Fe(9)OF5 octahedra, and corners with three equivalent Fe(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 52-67°. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(3), one O(4), one F(1), one F(3), and one F(6) atom to form FeO3F3 octahedra that share  a cornercorner with one Fe(6)O2F2 tetrahedra,  a cornercorner with one Fe(3)OF3 tetrahedra, corners with two equivalent Fe(8)F4 tetrahedra, corners with two equivalent Fe(7)O2F2 tetrahedra,  an edgeedge with one Li(3)OF5 octahedra,  an edgeedge with one Fe(1)O2F4 octahedra, edges with two equivalent Fe(5)O3F3 octahedra, and edges with two equivalent Fe(2)O4F2 octahedra. In the fifth Fe site, Fe(5) is bonded to one O(1), one O(2), one O(4), one F(1), one F(2), and one F(6) atom to form FeO3F3 octahedra that share  a cornercorner with one Fe(6)O2F2 tetrahedra,  a cornercorner with one Fe(3)OF3 tetrahedra, corners with two equivalent Fe(8)F4 tetrahedra, corners with two equivalent Fe(7)O2F2 tetrahedra,  an edgeedge with one Li(3)OF5 octahedra,  an edgeedge with one Fe(1)O2F4 octahedra, edges with two equivalent Fe(4)O3F3 octahedra, and edges with two equivalent Fe(2)O4F2 octahedra. In the sixth Fe site, Fe(6) is bonded to one O(1), one O(5), one F(10), and one F(9) atom to form FeO2F2 tetrahedra that share  a cornercorner with one Fe(4)O3F3 octahedra,  a cornercorner with one Fe(5)O3F3 octahedra,  a cornercorner with one Fe(2)O4F2 octahedra, corners with two equivalent Li(1)F6 octahedra, corners with two equivalent Li(2)OF5 octahedra, corners with two equivalent Fe(9)OF5 octahedra, and corners with three equivalent Li(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 43-61°. In the seventh Fe site, Fe(7) is bonded to one O(2), one O(3), one F(1), and one F(11) atom to form FeO2F2 tetrahedra that share  a cornercorner with one Li(1)F6 octahedra,  a cornercorner with one Li(2)OF5 octahedra,  a cornercorner with one Fe(9)OF5 octahedra, corners with two equivalent Fe(4)O3F3 octahedra, corners with two equivalent Fe(5)O3F3 octahedra, corners with two equivalent Fe(2)O4F2 octahedra, and corners with three equivalent Fe(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 46-66°. In the eighth Fe site, Fe(8) is bonded to one F(2), one F(3), one F(4), and one F(6) atom to form FeF4 tetrahedra that share  a cornercorner with one Li(1)F6 octahedra,  a cornercorner with one Li(2)OF5 octahedra,  a cornercorner with one Fe(9)OF5 octahedra, corners with two equivalent Fe(4)O3F3 octahedra, corners with two equivalent Fe(5)O3F3 octahedra, corners with two equivalent Fe(2)O4F2 octahedra, and corners with three equivalent Li(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 50-80°. In the ninth Fe site, Fe(9) is bonded to one O(5), one F(10), one F(11), one F(4), one F(5), and one F(7) atom to form FeOF5 octahedra that share  a cornercorner with one Fe(8)F4 tetrahedra,  a cornercorner with one Fe(7)O2F2 tetrahedra, corners with two equivalent Fe(6)O2F2 tetrahedra, corners with two equivalent Fe(3)OF3 tetrahedra,  an edgeedge with one Li(3)OF5 octahedra,  an edgeedge with one Fe(1)O2F4 octahedra, edges with two equivalent Li(1)F6 octahedra, and edges with two equivalent Li(2)OF5 octahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Fe(2), one Fe(4), one Fe(5), and one Fe(6) atom to form distorted OFe4 trigonal pyramids that share corners with three equivalent O(4)Fe4 tetrahedra and  a cornercorner with one O(5)Li2Fe2 trigonal pyramid. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Fe(1), one Fe(2), one Fe(5), and one Fe(7) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Fe(1), one Fe(2), one Fe(4), and one Fe(7) atom. In the fourth O site, O(4) is bonded to one Fe(2), one Fe(3), one Fe(4), and one Fe(5) atom to form corner-sharing OFe4 tetrahedra. In the fifth O site, O(5) is bonded to one Li(2), one Li(3), one Fe(6), and one Fe(9) atom to form distorted OLi2Fe2 trigonal pyramids that share  a cornercorner with one O(1)Fe4 trigonal pyramid and corners with two equivalent F(4)Li2Fe2 trigonal pyramids. There are eleven inequivalent F sites. In the first F site, F(1) is bonded in a rectangular see-saw-like geometry to one Fe(1), one Fe(4), one Fe(5), and one Fe(7) atom. In the second F site, F(2) is bonded in a rectangular see-saw-like geometry to one Li(3), one Fe(2), one Fe(5), and one Fe(8) atom. In the third F site, F(3) is bonded in a rectangular see-saw-like geometry to one Li(3), one Fe(2), one Fe(4), and one Fe(8) atom. In the fourth F site, F(4) is bonded to one Li(1), one Li(2), one Fe(8), and one Fe(9) atom to form distorted FLi2Fe2 trigonal pyramids that share corners with two equivalent O(5)Li2Fe2 trigonal pyramids. In the fifth F site, F(5) is bonded in a rectangular see-saw-like geometry to one Li(1), one Fe(1), one Fe(3), and one Fe(9) atom. In the sixth F site, F(6) is bonded in a rectangular see-saw-like geometry to one Li(3), one Fe(4), one Fe(5), and one Fe(8) atom. In the seventh F site, F(7) is bonded in a rectangular see-saw-like geometry to one Li(2), one Fe(1), one Fe(3), and one Fe(9) atom. In the eighth F site, F(8) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(2), one Fe(1), and one Fe(3) atom. In the ninth F site, F(9) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(2), one Li(3), and one Fe(6) atom. In the tenth F site, F(10) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(3), one Fe(6), and one Fe(9) atom. In the eleventh F site, F(11) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(2), one Fe(7), and one Fe(9) atom. is represented by the CIF file [CIF]
data_Li3Fe9O5F11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.162
_cell_length_b   6.221
_cell_length_c   10.730
_cell_angle_alpha   90.595
_cell_angle_beta   105.491
_cell_angle_gamma   118.320
_symmetry_Int_Tables_number   1
_cell_volume   344.359
_cell_formula_units_Z   1
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  0.610  0.047  0.196  1.0
  Li  Li1  1  0.605  0.562  0.195  1.0
  Li  Li2  1  0.638  0.793  0.425  1.0
  Fe  Fe3  1  0.633  0.299  0.937  1.0
  Fe  Fe4  1  0.632  0.077  0.691  1.0
  Fe  Fe5  1  1.000  0.983  0.976  1.0
  Fe  Fe6  1  0.638  0.562  0.690  1.0
  Fe  Fe7  1  0.136  0.059  0.690  1.0
  Fe  Fe8  1  0.262  0.171  0.391  1.0
  Fe  Fe9  1  0.222  0.659  0.878  1.0
  Fe  Fe10  1  0.029  0.488  0.481  1.0
  Fe  Fe11  1  0.131  0.552  0.201  1.0
  O  O12  1  0.392  0.211  0.586  1.0
  O  O13  1  0.393  0.965  0.816  1.0
  O  O14  1  0.856  0.429  0.818  1.0
  O  O15  1  0.858  0.924  0.783  1.0
  O  O16  1  0.376  0.468  0.313  1.0
  F  F17  1  0.385  0.437  0.824  1.0
  F  F18  1  0.858  0.159  0.547  1.0
  F  F19  1  0.410  0.710  0.557  1.0
  F  F20  1  0.821  0.405  0.291  1.0
  F  F21  1  0.873  0.182  0.072  1.0
  F  F22  1  0.897  0.688  0.559  1.0
  F  F23  1  0.870  0.662  0.073  1.0
  F  F24  1  0.390  0.198  0.062  1.0
  F  F25  1  0.852  0.934  0.309  1.0
  F  F26  1  0.343  0.919  0.307  1.0
  F  F27  1  0.388  0.708  0.083  1.0
[/CIF]
.
The material structure described by Li3Fe9O5F11 is Spinel-derived structured and crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(10), one F(11), one F(4), one F(5), one F(8), and one F(9) atom to form LiF6 octahedra that share  a cornercorner with one Fe(8)F4 tetrahedra,  a cornercorner with one Fe(7)O2F2 tetrahedra, corners with two equivalent Fe(6)O2F2 tetrahedra, corners with two equivalent Fe(3)OF3 tetrahedra,  an edgeedge with one Li(3)OF5 octahedra,  an edgeedge with one Fe(1)O2F4 octahedra, edges with two equivalent Li(2)OF5 octahedra, and edges with two equivalent Fe(9)OF5 octahedra. In the second Li site, Li(2) is bonded to one O(5), one F(11), one F(4), one F(7), one F(8), and one F(9) atom to form LiOF5 octahedra that share  a cornercorner with one Fe(8)F4 tetrahedra,  a cornercorner with one Fe(7)O2F2 tetrahedra, corners with two equivalent Fe(6)O2F2 tetrahedra, corners with two equivalent Fe(3)OF3 tetrahedra,  an edgeedge with one Li(3)OF5 octahedra,  an edgeedge with one Fe(1)O2F4 octahedra, edges with two equivalent Li(1)F6 octahedra, and edges with two equivalent Fe(9)OF5 octahedra. In the third Li site, Li(3) is bonded to one O(5), one F(10), one F(2), one F(3), one F(6), and one F(9) atom to form distorted LiOF5 octahedra that share corners with three equivalent Fe(8)F4 tetrahedra, corners with three equivalent Fe(6)O2F2 tetrahedra,  an edgeedge with one Li(1)F6 octahedra,  an edgeedge with one Li(2)OF5 octahedra,  an edgeedge with one Fe(4)O3F3 octahedra,  an edgeedge with one Fe(5)O3F3 octahedra,  an edgeedge with one Fe(2)O4F2 octahedra, and  an edgeedge with one Fe(9)OF5 octahedra. There are nine inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(3), one F(1), one F(5), one F(7), and one F(8) atom to form FeO2F4 octahedra that share corners with three equivalent Fe(7)O2F2 tetrahedra, corners with three equivalent Fe(3)OF3 tetrahedra,  an edgeedge with one Li(1)F6 octahedra,  an edgeedge with one Li(2)OF5 octahedra,  an edgeedge with one Fe(4)O3F3 octahedra,  an edgeedge with one Fe(5)O3F3 octahedra,  an edgeedge with one Fe(2)O4F2 octahedra, and  an edgeedge with one Fe(9)OF5 octahedra. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), one O(3), one O(4), one F(2), and one F(3) atom to form FeO4F2 octahedra that share  a cornercorner with one Fe(6)O2F2 tetrahedra,  a cornercorner with one Fe(3)OF3 tetrahedra, corners with two equivalent Fe(8)F4 tetrahedra, corners with two equivalent Fe(7)O2F2 tetrahedra,  an edgeedge with one Li(3)OF5 octahedra,  an edgeedge with one Fe(1)O2F4 octahedra, edges with two equivalent Fe(4)O3F3 octahedra, and edges with two equivalent Fe(5)O3F3 octahedra. In the third Fe site, Fe(3) is bonded to one O(4), one F(5), one F(7), and one F(8) atom to form FeOF3 tetrahedra that share  a cornercorner with one Fe(4)O3F3 octahedra,  a cornercorner with one Fe(5)O3F3 octahedra,  a cornercorner with one Fe(2)O4F2 octahedra, corners with two equivalent Li(1)F6 octahedra, corners with two equivalent Li(2)OF5 octahedra, corners with two equivalent Fe(9)OF5 octahedra, and corners with three equivalent Fe(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 52-67°. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(3), one O(4), one F(1), one F(3), and one F(6) atom to form FeO3F3 octahedra that share  a cornercorner with one Fe(6)O2F2 tetrahedra,  a cornercorner with one Fe(3)OF3 tetrahedra, corners with two equivalent Fe(8)F4 tetrahedra, corners with two equivalent Fe(7)O2F2 tetrahedra,  an edgeedge with one Li(3)OF5 octahedra,  an edgeedge with one Fe(1)O2F4 octahedra, edges with two equivalent Fe(5)O3F3 octahedra, and edges with two equivalent Fe(2)O4F2 octahedra. In the fifth Fe site, Fe(5) is bonded to one O(1), one O(2), one O(4), one F(1), one F(2), and one F(6) atom to form FeO3F3 octahedra that share  a cornercorner with one Fe(6)O2F2 tetrahedra,  a cornercorner with one Fe(3)OF3 tetrahedra, corners with two equivalent Fe(8)F4 tetrahedra, corners with two equivalent Fe(7)O2F2 tetrahedra,  an edgeedge with one Li(3)OF5 octahedra,  an edgeedge with one Fe(1)O2F4 octahedra, edges with two equivalent Fe(4)O3F3 octahedra, and edges with two equivalent Fe(2)O4F2 octahedra. In the sixth Fe site, Fe(6) is bonded to one O(1), one O(5), one F(10), and one F(9) atom to form FeO2F2 tetrahedra that share  a cornercorner with one Fe(4)O3F3 octahedra,  a cornercorner with one Fe(5)O3F3 octahedra,  a cornercorner with one Fe(2)O4F2 octahedra, corners with two equivalent Li(1)F6 octahedra, corners with two equivalent Li(2)OF5 octahedra, corners with two equivalent Fe(9)OF5 octahedra, and corners with three equivalent Li(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 43-61°. In the seventh Fe site, Fe(7) is bonded to one O(2), one O(3), one F(1), and one F(11) atom to form FeO2F2 tetrahedra that share  a cornercorner with one Li(1)F6 octahedra,  a cornercorner with one Li(2)OF5 octahedra,  a cornercorner with one Fe(9)OF5 octahedra, corners with two equivalent Fe(4)O3F3 octahedra, corners with two equivalent Fe(5)O3F3 octahedra, corners with two equivalent Fe(2)O4F2 octahedra, and corners with three equivalent Fe(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 46-66°. In the eighth Fe site, Fe(8) is bonded to one F(2), one F(3), one F(4), and one F(6) atom to form FeF4 tetrahedra that share  a cornercorner with one Li(1)F6 octahedra,  a cornercorner with one Li(2)OF5 octahedra,  a cornercorner with one Fe(9)OF5 octahedra, corners with two equivalent Fe(4)O3F3 octahedra, corners with two equivalent Fe(5)O3F3 octahedra, corners with two equivalent Fe(2)O4F2 octahedra, and corners with three equivalent Li(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 50-80°. In the ninth Fe site, Fe(9) is bonded to one O(5), one F(10), one F(11), one F(4), one F(5), and one F(7) atom to form FeOF5 octahedra that share  a cornercorner with one Fe(8)F4 tetrahedra,  a cornercorner with one Fe(7)O2F2 tetrahedra, corners with two equivalent Fe(6)O2F2 tetrahedra, corners with two equivalent Fe(3)OF3 tetrahedra,  an edgeedge with one Li(3)OF5 octahedra,  an edgeedge with one Fe(1)O2F4 octahedra, edges with two equivalent Li(1)F6 octahedra, and edges with two equivalent Li(2)OF5 octahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Fe(2), one Fe(4), one Fe(5), and one Fe(6) atom to form distorted OFe4 trigonal pyramids that share corners with three equivalent O(4)Fe4 tetrahedra and  a cornercorner with one O(5)Li2Fe2 trigonal pyramid. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Fe(1), one Fe(2), one Fe(5), and one Fe(7) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Fe(1), one Fe(2), one Fe(4), and one Fe(7) atom. In the fourth O site, O(4) is bonded to one Fe(2), one Fe(3), one Fe(4), and one Fe(5) atom to form corner-sharing OFe4 tetrahedra. In the fifth O site, O(5) is bonded to one Li(2), one Li(3), one Fe(6), and one Fe(9) atom to form distorted OLi2Fe2 trigonal pyramids that share  a cornercorner with one O(1)Fe4 trigonal pyramid and corners with two equivalent F(4)Li2Fe2 trigonal pyramids. There are eleven inequivalent F sites. In the first F site, F(1) is bonded in a rectangular see-saw-like geometry to one Fe(1), one Fe(4), one Fe(5), and one Fe(7) atom. In the second F site, F(2) is bonded in a rectangular see-saw-like geometry to one Li(3), one Fe(2), one Fe(5), and one Fe(8) atom. In the third F site, F(3) is bonded in a rectangular see-saw-like geometry to one Li(3), one Fe(2), one Fe(4), and one Fe(8) atom. In the fourth F site, F(4) is bonded to one Li(1), one Li(2), one Fe(8), and one Fe(9) atom to form distorted FLi2Fe2 trigonal pyramids that share corners with two equivalent O(5)Li2Fe2 trigonal pyramids. In the fifth F site, F(5) is bonded in a rectangular see-saw-like geometry to one Li(1), one Fe(1), one Fe(3), and one Fe(9) atom. In the sixth F site, F(6) is bonded in a rectangular see-saw-like geometry to one Li(3), one Fe(4), one Fe(5), and one Fe(8) atom. In the seventh F site, F(7) is bonded in a rectangular see-saw-like geometry to one Li(2), one Fe(1), one Fe(3), and one Fe(9) atom. In the eighth F site, F(8) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(2), one Fe(1), and one Fe(3) atom. In the ninth F site, F(9) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(2), one Li(3), and one Fe(6) atom. In the tenth F site, F(10) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(3), one Fe(6), and one Fe(9) atom. In the eleventh F site, F(11) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(2), one Fe(7), and one Fe(9) atom. is represented by the CIF file [CIF]
data_Li3Fe9O5F11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.162
_cell_length_b   6.221
_cell_length_c   10.730
_cell_angle_alpha   90.595
_cell_angle_beta   105.491
_cell_angle_gamma   118.320
_symmetry_Int_Tables_number   1
_cell_volume   344.359
_cell_formula_units_Z   1
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  0.610  0.047  0.196  1.0
  Li  Li1  1  0.605  0.562  0.195  1.0
  Li  Li2  1  0.638  0.793  0.425  1.0
  Fe  Fe3  1  0.633  0.299  0.937  1.0
  Fe  Fe4  1  0.632  0.077  0.691  1.0
  Fe  Fe5  1  1.000  0.983  0.976  1.0
  Fe  Fe6  1  0.638  0.562  0.690  1.0
  Fe  Fe7  1  0.136  0.059  0.690  1.0
  Fe  Fe8  1  0.262  0.171  0.391  1.0
  Fe  Fe9  1  0.222  0.659  0.878  1.0
  Fe  Fe10  1  0.029  0.488  0.481  1.0
  Fe  Fe11  1  0.131  0.552  0.201  1.0
  O  O12  1  0.392  0.211  0.586  1.0
  O  O13  1  0.393  0.965  0.816  1.0
  O  O14  1  0.856  0.429  0.818  1.0
  O  O15  1  0.858  0.924  0.783  1.0
  O  O16  1  0.376  0.468  0.313  1.0
  F  F17  1  0.385  0.437  0.824  1.0
  F  F18  1  0.858  0.159  0.547  1.0
  F  F19  1  0.410  0.710  0.557  1.0
  F  F20  1  0.821  0.405  0.291  1.0
  F  F21  1  0.873  0.182  0.072  1.0
  F  F22  1  0.897  0.688  0.559  1.0
  F  F23  1  0.870  0.662  0.073  1.0
  F  F24  1  0.390  0.198  0.062  1.0
  F  F25  1  0.852  0.934  0.309  1.0
  F  F26  1  0.343  0.919  0.307  1.0
  F  F27  1  0.388  0.708  0.083  1.0
[/CIF]
.