The structure described by Li2Fe3F8 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted trigonal non-coplanar geometry to one F(1), one F(3), and one F(4) atom. In the second Li site, Li(2) is bonded to one F(2), one F(3), one F(4), and one F(8) atom to form distorted LiF4 trigonal pyramids that share  a cornercorner with one Fe(2)F6 octahedra, corners with two equivalent Fe(1)F6 octahedra, and corners with four equivalent Fe(3)F6 octahedra. The corner-sharing octahedral tilt angles range from 51-76°. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one F(6), one F(7), two equivalent F(5), and two equivalent F(8) atoms to form FeF6 octahedra that share corners with two equivalent Li(2)F4 trigonal pyramids, edges with two equivalent Fe(1)F6 octahedra, and edges with four equivalent Fe(2)F6 octahedra. In the second Fe site, Fe(2) is bonded to one F(5), one F(8), two equivalent F(6), and two equivalent F(7) atoms to form FeF6 octahedra that share  a cornercorner with one Li(2)F4 trigonal pyramid, edges with two equivalent Fe(2)F6 octahedra, and edges with four equivalent Fe(1)F6 octahedra. In the third Fe site, Fe(3) is bonded to one F(3), one F(4), two equivalent F(1), and two equivalent F(2) atoms to form FeF6 octahedra that share corners with four equivalent Li(2)F4 trigonal pyramids and edges with two equivalent Fe(3)F6 octahedra. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal non-coplanar geometry to one Li(1) and two equivalent Fe(3) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(2) and two equivalent Fe(3) atoms. In the third F site, F(3) is bonded in a trigonal planar geometry to one Li(1), one Li(2), and one Fe(3) atom. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Li(1), one Li(2), and one Fe(3) atom. In the fifth F site, F(5) is bonded in a distorted trigonal non-coplanar geometry to one Fe(2) and two equivalent Fe(1) atoms. In the sixth F site, F(6) is bonded in a distorted trigonal non-coplanar geometry to one Fe(1) and two equivalent Fe(2) atoms. In the seventh F site, F(7) is bonded in a 3-coordinate geometry to one Fe(1) and two equivalent Fe(2) atoms. In the eighth F site, F(8) is bonded to one Li(2), one Fe(2), and two equivalent Fe(1) atoms to form edge-sharing FLiFe3 trigonal pyramids. is represented by the CIF file [CIF]
data_Li2Fe3F8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.542
_cell_length_b   6.228
_cell_length_c   9.752
_cell_angle_alpha   74.594
_cell_angle_beta   85.461
_cell_angle_gamma   88.719
_symmetry_Int_Tables_number   1
_cell_volume   323.514
_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  0.297  0.213  0.836  1.0
  Li  Li1  1  0.797  0.926  0.835  1.0
  Li  Li2  1  0.203  0.074  0.165  1.0
  Li  Li3  1  0.703  0.787  0.164  1.0
  Fe  Fe4  1  0.242  0.864  0.536  1.0
  Fe  Fe5  1  0.744  0.607  0.532  1.0
  Fe  Fe6  1  0.256  0.393  0.468  1.0
  Fe  Fe7  1  0.758  0.136  0.464  1.0
  Fe  Fe8  1  0.249  0.644  0.999  1.0
  Fe  Fe9  1  0.751  0.356  0.001  1.0
  F  F10  1  0.092  0.431  0.885  1.0
  F  F11  1  0.606  0.662  0.890  1.0
  F  F12  1  0.134  0.932  0.861  1.0
  F  F13  1  0.625  0.178  0.862  1.0
  F  F14  1  0.429  0.113  0.591  1.0
  F  F15  1  0.926  0.312  0.594  1.0
  F  F16  1  0.396  0.550  0.620  1.0
  F  F17  1  0.892  0.850  0.617  1.0
  F  F18  1  0.108  0.150  0.383  1.0
  F  F19  1  0.604  0.450  0.380  1.0
  F  F20  1  0.074  0.688  0.406  1.0
  F  F21  1  0.571  0.887  0.409  1.0
  F  F22  1  0.375  0.822  0.138  1.0
  F  F23  1  0.866  0.068  0.139  1.0
  F  F24  1  0.394  0.338  0.110  1.0
  F  F25  1  0.908  0.569  0.115  1.0
[/CIF]
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The structure described by Li2Fe3F8 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted trigonal non-coplanar geometry to one F(1), one F(3), and one F(4) atom. In the second Li site, Li(2) is bonded to one F(2), one F(3), one F(4), and one F(8) atom to form distorted LiF4 trigonal pyramids that share  a cornercorner with one Fe(2)F6 octahedra, corners with two equivalent Fe(1)F6 octahedra, and corners with four equivalent Fe(3)F6 octahedra. The corner-sharing octahedral tilt angles range from 51-76°. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one F(6), one F(7), two equivalent F(5), and two equivalent F(8) atoms to form FeF6 octahedra that share corners with two equivalent Li(2)F4 trigonal pyramids, edges with two equivalent Fe(1)F6 octahedra, and edges with four equivalent Fe(2)F6 octahedra. In the second Fe site, Fe(2) is bonded to one F(5), one F(8), two equivalent F(6), and two equivalent F(7) atoms to form FeF6 octahedra that share  a cornercorner with one Li(2)F4 trigonal pyramid, edges with two equivalent Fe(2)F6 octahedra, and edges with four equivalent Fe(1)F6 octahedra. In the third Fe site, Fe(3) is bonded to one F(3), one F(4), two equivalent F(1), and two equivalent F(2) atoms to form FeF6 octahedra that share corners with four equivalent Li(2)F4 trigonal pyramids and edges with two equivalent Fe(3)F6 octahedra. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal non-coplanar geometry to one Li(1) and two equivalent Fe(3) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(2) and two equivalent Fe(3) atoms. In the third F site, F(3) is bonded in a trigonal planar geometry to one Li(1), one Li(2), and one Fe(3) atom. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Li(1), one Li(2), and one Fe(3) atom. In the fifth F site, F(5) is bonded in a distorted trigonal non-coplanar geometry to one Fe(2) and two equivalent Fe(1) atoms. In the sixth F site, F(6) is bonded in a distorted trigonal non-coplanar geometry to one Fe(1) and two equivalent Fe(2) atoms. In the seventh F site, F(7) is bonded in a 3-coordinate geometry to one Fe(1) and two equivalent Fe(2) atoms. In the eighth F site, F(8) is bonded to one Li(2), one Fe(2), and two equivalent Fe(1) atoms to form edge-sharing FLiFe3 trigonal pyramids. is represented by the CIF file [CIF]
data_Li2Fe3F8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.542
_cell_length_b   6.228
_cell_length_c   9.752
_cell_angle_alpha   74.594
_cell_angle_beta   85.461
_cell_angle_gamma   88.719
_symmetry_Int_Tables_number   1
_cell_volume   323.514
_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  0.297  0.213  0.836  1.0
  Li  Li1  1  0.797  0.926  0.835  1.0
  Li  Li2  1  0.203  0.074  0.165  1.0
  Li  Li3  1  0.703  0.787  0.164  1.0
  Fe  Fe4  1  0.242  0.864  0.536  1.0
  Fe  Fe5  1  0.744  0.607  0.532  1.0
  Fe  Fe6  1  0.256  0.393  0.468  1.0
  Fe  Fe7  1  0.758  0.136  0.464  1.0
  Fe  Fe8  1  0.249  0.644  0.999  1.0
  Fe  Fe9  1  0.751  0.356  0.001  1.0
  F  F10  1  0.092  0.431  0.885  1.0
  F  F11  1  0.606  0.662  0.890  1.0
  F  F12  1  0.134  0.932  0.861  1.0
  F  F13  1  0.625  0.178  0.862  1.0
  F  F14  1  0.429  0.113  0.591  1.0
  F  F15  1  0.926  0.312  0.594  1.0
  F  F16  1  0.396  0.550  0.620  1.0
  F  F17  1  0.892  0.850  0.617  1.0
  F  F18  1  0.108  0.150  0.383  1.0
  F  F19  1  0.604  0.450  0.380  1.0
  F  F20  1  0.074  0.688  0.406  1.0
  F  F21  1  0.571  0.887  0.409  1.0
  F  F22  1  0.375  0.822  0.138  1.0
  F  F23  1  0.866  0.068  0.139  1.0
  F  F24  1  0.394  0.338  0.110  1.0
  F  F25  1  0.908  0.569  0.115  1.0
[/CIF]
.