The material described by Li2Fe5O5F7 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(5), one F(2), one F(3), one F(4), one F(5), and one F(6) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(4), one F(1), one F(2), one F(3), one F(5), and one F(7) atom. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), one O(4), one O(5), one F(3), and one F(6) atom to form distorted FeO4F2 pentagonal pyramids that share  a cornercorner with one Fe(5)O3F3 octahedra, corners with two equivalent Fe(4)O2F4 octahedra,  a cornercorner with one Fe(3)O3F3 pentagonal pyramid,  a cornercorner with one Fe(2)O4F2 pentagonal pyramid,  an edgeedge with one Fe(5)O3F3 octahedra,  an edgeedge with one Fe(3)O3F3 pentagonal pyramid, and  an edgeedge with one Fe(2)O4F2 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 43-60°. In the second Fe site, Fe(2) is bonded to one O(2), one O(3), one O(4), one O(5), one F(1), and one F(2) atom to form distorted FeO4F2 pentagonal pyramids that share  a cornercorner with one Fe(5)O3F3 octahedra, corners with two equivalent Fe(4)O2F4 octahedra,  a cornercorner with one Fe(3)O3F3 pentagonal pyramid,  a cornercorner with one Fe(1)O4F2 pentagonal pyramid,  an edgeedge with one Fe(5)O3F3 octahedra,  an edgeedge with one Fe(3)O3F3 pentagonal pyramid, and  an edgeedge with one Fe(1)O4F2 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 45-57°. In the third Fe site, Fe(3) is bonded to one O(2), one O(3), one O(5), one F(3), one F(5), and one F(7) atom to form distorted FeO3F3 pentagonal pyramids that share corners with two equivalent Fe(4)O2F4 octahedra,  a cornercorner with one Fe(1)O4F2 pentagonal pyramid,  a cornercorner with one Fe(2)O4F2 pentagonal pyramid,  an edgeedge with one Fe(5)O3F3 octahedra,  an edgeedge with one Fe(1)O4F2 pentagonal pyramid, and  an edgeedge with one Fe(2)O4F2 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 44-63°. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(3), one F(1), one F(4), one F(6), and one F(7) atom to form FeO2F4 octahedra that share corners with two equivalent Fe(5)O3F3 octahedra, corners with two equivalent Fe(3)O3F3 pentagonal pyramids, corners with two equivalent Fe(1)O4F2 pentagonal pyramids, and corners with two equivalent Fe(2)O4F2 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 50-56°. In the fifth Fe site, Fe(5) is bonded to one O(1), one O(2), one O(4), one F(2), one F(4), and one F(5) atom to form distorted FeO3F3 octahedra that share corners with two equivalent Fe(4)O2F4 octahedra,  a cornercorner with one Fe(1)O4F2 pentagonal pyramid,  a cornercorner with one Fe(2)O4F2 pentagonal pyramid,  an edgeedge with one Fe(3)O3F3 pentagonal pyramid,  an edgeedge with one Fe(1)O4F2 pentagonal pyramid, and  an edgeedge with one Fe(2)O4F2 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 50-56°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Fe(1), one Fe(4), and one Fe(5) atom. In the second O site, O(2) is bonded to one Fe(1), one Fe(2), one Fe(3), and one Fe(5) atom to form OFe4 trigonal pyramids that share  a cornercorner with one O(4)LiFe3 tetrahedra, corners with two equivalent F(3)Li2Fe2 tetrahedra, and  an edgeedge with one O(4)LiFe3 tetrahedra. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(4) atom. In the fourth O site, O(4) is bonded to one Li(2), one Fe(1), one Fe(2), and one Fe(5) atom to form OLiFe3 tetrahedra that share  a cornercorner with one O(2)Fe4 trigonal pyramid,  an edgeedge with one F(3)Li2Fe2 tetrahedra, and  an edgeedge with one O(2)Fe4 trigonal pyramid. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(1), one Fe(1), one Fe(2), and one Fe(3) atom. There are seven inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Li(2), one Fe(2), and one Fe(4) atom. In the second F site, F(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Fe(2), and one Fe(5) atom. In the third F site, F(3) is bonded to one Li(1), one Li(2), one Fe(1), and one Fe(3) atom to form distorted FLi2Fe2 tetrahedra that share corners with two equivalent O(2)Fe4 trigonal pyramids and  an edgeedge with one O(4)LiFe3 tetrahedra. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Li(1), one Fe(4), and one Fe(5) atom. In the fifth F site, F(5) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Fe(3), and one Fe(5) atom. In the sixth F site, F(6) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Fe(1), and one Fe(4) atom. In the seventh F site, F(7) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Fe(3), and one Fe(4) atom. is represented by the CIF card [CIF]
data_Li2Fe5O5F7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.910
_cell_length_b   5.987
_cell_length_c   6.176
_cell_angle_alpha   99.489
_cell_angle_beta   99.903
_cell_angle_gamma   99.474
_symmetry_Int_Tables_number   1
_cell_volume   208.119
_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  0.865  0.678  0.406  1.0
  Li  Li1  1  0.314  0.600  0.117  1.0
  Fe  Fe2  1  0.646  0.384  0.836  1.0
  Fe  Fe3  1  0.139  0.340  0.587  1.0
  Fe  Fe4  1  0.625  0.155  0.347  1.0
  Fe  Fe5  1  0.985  0.005  0.015  1.0
  Fe  Fe6  1  0.411  0.864  0.681  1.0
  O  O7  1  0.678  0.065  0.894  1.0
  O  O8  1  0.397  0.166  0.570  1.0
  O  O9  1  0.942  0.115  0.314  1.0
  O  O10  1  0.408  0.582  0.794  1.0
  O  O11  1  0.823  0.405  0.599  1.0
  F  F12  1  0.124  0.298  0.939  1.0
  F  F13  1  0.181  0.595  0.398  1.0
  F  F14  1  0.580  0.409  0.181  1.0
  F  F15  1  0.075  0.879  0.716  1.0
  F  F16  1  0.608  0.832  0.442  1.0
  F  F17  1  0.879  0.674  0.033  1.0
  F  F18  1  0.320  0.955  0.130  1.0
[/CIF]
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The material described by Li2Fe5O5F7 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(5), one F(2), one F(3), one F(4), one F(5), and one F(6) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(4), one F(1), one F(2), one F(3), one F(5), and one F(7) atom. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), one O(4), one O(5), one F(3), and one F(6) atom to form distorted FeO4F2 pentagonal pyramids that share  a cornercorner with one Fe(5)O3F3 octahedra, corners with two equivalent Fe(4)O2F4 octahedra,  a cornercorner with one Fe(3)O3F3 pentagonal pyramid,  a cornercorner with one Fe(2)O4F2 pentagonal pyramid,  an edgeedge with one Fe(5)O3F3 octahedra,  an edgeedge with one Fe(3)O3F3 pentagonal pyramid, and  an edgeedge with one Fe(2)O4F2 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 43-60°. In the second Fe site, Fe(2) is bonded to one O(2), one O(3), one O(4), one O(5), one F(1), and one F(2) atom to form distorted FeO4F2 pentagonal pyramids that share  a cornercorner with one Fe(5)O3F3 octahedra, corners with two equivalent Fe(4)O2F4 octahedra,  a cornercorner with one Fe(3)O3F3 pentagonal pyramid,  a cornercorner with one Fe(1)O4F2 pentagonal pyramid,  an edgeedge with one Fe(5)O3F3 octahedra,  an edgeedge with one Fe(3)O3F3 pentagonal pyramid, and  an edgeedge with one Fe(1)O4F2 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 45-57°. In the third Fe site, Fe(3) is bonded to one O(2), one O(3), one O(5), one F(3), one F(5), and one F(7) atom to form distorted FeO3F3 pentagonal pyramids that share corners with two equivalent Fe(4)O2F4 octahedra,  a cornercorner with one Fe(1)O4F2 pentagonal pyramid,  a cornercorner with one Fe(2)O4F2 pentagonal pyramid,  an edgeedge with one Fe(5)O3F3 octahedra,  an edgeedge with one Fe(1)O4F2 pentagonal pyramid, and  an edgeedge with one Fe(2)O4F2 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 44-63°. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(3), one F(1), one F(4), one F(6), and one F(7) atom to form FeO2F4 octahedra that share corners with two equivalent Fe(5)O3F3 octahedra, corners with two equivalent Fe(3)O3F3 pentagonal pyramids, corners with two equivalent Fe(1)O4F2 pentagonal pyramids, and corners with two equivalent Fe(2)O4F2 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 50-56°. In the fifth Fe site, Fe(5) is bonded to one O(1), one O(2), one O(4), one F(2), one F(4), and one F(5) atom to form distorted FeO3F3 octahedra that share corners with two equivalent Fe(4)O2F4 octahedra,  a cornercorner with one Fe(1)O4F2 pentagonal pyramid,  a cornercorner with one Fe(2)O4F2 pentagonal pyramid,  an edgeedge with one Fe(3)O3F3 pentagonal pyramid,  an edgeedge with one Fe(1)O4F2 pentagonal pyramid, and  an edgeedge with one Fe(2)O4F2 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 50-56°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Fe(1), one Fe(4), and one Fe(5) atom. In the second O site, O(2) is bonded to one Fe(1), one Fe(2), one Fe(3), and one Fe(5) atom to form OFe4 trigonal pyramids that share  a cornercorner with one O(4)LiFe3 tetrahedra, corners with two equivalent F(3)Li2Fe2 tetrahedra, and  an edgeedge with one O(4)LiFe3 tetrahedra. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(4) atom. In the fourth O site, O(4) is bonded to one Li(2), one Fe(1), one Fe(2), and one Fe(5) atom to form OLiFe3 tetrahedra that share  a cornercorner with one O(2)Fe4 trigonal pyramid,  an edgeedge with one F(3)Li2Fe2 tetrahedra, and  an edgeedge with one O(2)Fe4 trigonal pyramid. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(1), one Fe(1), one Fe(2), and one Fe(3) atom. There are seven inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Li(2), one Fe(2), and one Fe(4) atom. In the second F site, F(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Fe(2), and one Fe(5) atom. In the third F site, F(3) is bonded to one Li(1), one Li(2), one Fe(1), and one Fe(3) atom to form distorted FLi2Fe2 tetrahedra that share corners with two equivalent O(2)Fe4 trigonal pyramids and  an edgeedge with one O(4)LiFe3 tetrahedra. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Li(1), one Fe(4), and one Fe(5) atom. In the fifth F site, F(5) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Fe(3), and one Fe(5) atom. In the sixth F site, F(6) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Fe(1), and one Fe(4) atom. In the seventh F site, F(7) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Fe(3), and one Fe(4) atom. is represented by the CIF card [CIF]
data_Li2Fe5O5F7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.910
_cell_length_b   5.987
_cell_length_c   6.176
_cell_angle_alpha   99.489
_cell_angle_beta   99.903
_cell_angle_gamma   99.474
_symmetry_Int_Tables_number   1
_cell_volume   208.119
_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  0.865  0.678  0.406  1.0
  Li  Li1  1  0.314  0.600  0.117  1.0
  Fe  Fe2  1  0.646  0.384  0.836  1.0
  Fe  Fe3  1  0.139  0.340  0.587  1.0
  Fe  Fe4  1  0.625  0.155  0.347  1.0
  Fe  Fe5  1  0.985  0.005  0.015  1.0
  Fe  Fe6  1  0.411  0.864  0.681  1.0
  O  O7  1  0.678  0.065  0.894  1.0
  O  O8  1  0.397  0.166  0.570  1.0
  O  O9  1  0.942  0.115  0.314  1.0
  O  O10  1  0.408  0.582  0.794  1.0
  O  O11  1  0.823  0.405  0.599  1.0
  F  F12  1  0.124  0.298  0.939  1.0
  F  F13  1  0.181  0.595  0.398  1.0
  F  F14  1  0.580  0.409  0.181  1.0
  F  F15  1  0.075  0.879  0.716  1.0
  F  F16  1  0.608  0.832  0.442  1.0
  F  F17  1  0.879  0.674  0.033  1.0
  F  F18  1  0.320  0.955  0.130  1.0
[/CIF]
.