The structure described by Li2Fe3F8 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 6-coordinate geometry to one F(3), one F(4), two equivalent F(1), and two equivalent F(2) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent F(1), two equivalent F(3), and two equivalent F(4) atoms to form corner-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles range from 45-58°. In the second Fe site, Fe(2) is bonded to one F(1), one F(4), two equivalent F(2), and two equivalent F(3) atoms to form a mixture of corner and edge-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles range from 45-58°. There are four inequivalent F sites. In the first F site, F(1) is bonded to two equivalent Li(1), one Fe(1), and one Fe(2) atom to form distorted FLi2Fe2 trigonal pyramids that share  a cornercorner with one F(1)Li2Fe2 trigonal pyramid, corners with two equivalent F(3)LiFe3 trigonal pyramids,  an edgeedge with one F(1)Li2Fe2 trigonal pyramid, and edges with two equivalent F(3)LiFe3 trigonal pyramids. In the second F site, F(2) is bonded in a distorted see-saw-like geometry to two equivalent Li(1) and two equivalent Fe(2) atoms. In the third F site, F(3) is bonded to one Li(1), one Fe(1), and two equivalent Fe(2) atoms to form FLiFe3 trigonal pyramids that share  a cornercorner with one F(3)LiFe3 trigonal pyramid, corners with two equivalent F(1)Li2Fe2 trigonal pyramids,  an edgeedge with one F(3)LiFe3 trigonal pyramid, and edges with two equivalent F(1)Li2Fe2 trigonal pyramids. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Li(1), one Fe(1), and one Fe(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Fe3F8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.348
_cell_length_b   5.691
_cell_length_c   5.927
_cell_angle_alpha   106.625
_cell_angle_beta   89.849
_cell_angle_gamma   117.332
_symmetry_Int_Tables_number   1
_cell_volume   151.793
_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  0.447  0.910  0.244  1.0
  Li  Li1  1  0.553  0.090  0.756  1.0
  Fe  Fe2  1  0.000  0.000  0.000  1.0
  Fe  Fe3  1  0.235  0.470  0.640  1.0
  Fe  Fe4  1  0.765  0.530  0.360  1.0
  F  F5  1  0.218  0.766  0.939  1.0
  F  F6  1  0.215  0.729  0.457  1.0
  F  F7  1  0.315  0.236  0.317  1.0
  F  F8  1  0.282  0.234  0.815  1.0
  F  F9  1  0.718  0.766  0.185  1.0
  F  F10  1  0.685  0.764  0.683  1.0
  F  F11  1  0.785  0.271  0.543  1.0
  F  F12  1  0.782  0.234  0.061  1.0
[/CIF]
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The structure described by Li2Fe3F8 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 6-coordinate geometry to one F(3), one F(4), two equivalent F(1), and two equivalent F(2) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent F(1), two equivalent F(3), and two equivalent F(4) atoms to form corner-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles range from 45-58°. In the second Fe site, Fe(2) is bonded to one F(1), one F(4), two equivalent F(2), and two equivalent F(3) atoms to form a mixture of corner and edge-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles range from 45-58°. There are four inequivalent F sites. In the first F site, F(1) is bonded to two equivalent Li(1), one Fe(1), and one Fe(2) atom to form distorted FLi2Fe2 trigonal pyramids that share  a cornercorner with one F(1)Li2Fe2 trigonal pyramid, corners with two equivalent F(3)LiFe3 trigonal pyramids,  an edgeedge with one F(1)Li2Fe2 trigonal pyramid, and edges with two equivalent F(3)LiFe3 trigonal pyramids. In the second F site, F(2) is bonded in a distorted see-saw-like geometry to two equivalent Li(1) and two equivalent Fe(2) atoms. In the third F site, F(3) is bonded to one Li(1), one Fe(1), and two equivalent Fe(2) atoms to form FLiFe3 trigonal pyramids that share  a cornercorner with one F(3)LiFe3 trigonal pyramid, corners with two equivalent F(1)Li2Fe2 trigonal pyramids,  an edgeedge with one F(3)LiFe3 trigonal pyramid, and edges with two equivalent F(1)Li2Fe2 trigonal pyramids. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Li(1), one Fe(1), and one Fe(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Fe3F8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.348
_cell_length_b   5.691
_cell_length_c   5.927
_cell_angle_alpha   106.625
_cell_angle_beta   89.849
_cell_angle_gamma   117.332
_symmetry_Int_Tables_number   1
_cell_volume   151.793
_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  0.447  0.910  0.244  1.0
  Li  Li1  1  0.553  0.090  0.756  1.0
  Fe  Fe2  1  0.000  0.000  0.000  1.0
  Fe  Fe3  1  0.235  0.470  0.640  1.0
  Fe  Fe4  1  0.765  0.530  0.360  1.0
  F  F5  1  0.218  0.766  0.939  1.0
  F  F6  1  0.215  0.729  0.457  1.0
  F  F7  1  0.315  0.236  0.317  1.0
  F  F8  1  0.282  0.234  0.815  1.0
  F  F9  1  0.718  0.766  0.185  1.0
  F  F10  1  0.685  0.764  0.683  1.0
  F  F11  1  0.785  0.271  0.543  1.0
  F  F12  1  0.782  0.234  0.061  1.0
[/CIF]
.