The structure described by Li2Fe3F8 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one F(1), one F(2), one F(3), and one F(4) atom to form LiF4 tetrahedra that share corners with five equivalent Fe(2)F5 trigonal bipyramids. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a square co-planar geometry to two equivalent F(3) and two equivalent F(4) atoms. In the second Fe site, Fe(2) is bonded to one F(2), one F(3), one F(4), and two equivalent F(1) atoms to form FeF5 trigonal bipyramids that share corners with five equivalent Li(1)F4 tetrahedra and corners with two equivalent Fe(2)F5 trigonal bipyramids. There are four inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Li(1) and two equivalent Fe(2) atoms. In the second F site, F(2) is bonded in a water-like geometry to one Li(1) and one Fe(2) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Fe(1), and one Fe(2) atom. 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 CIF card [CIF]
data_Li2Fe3F8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.361
_cell_length_b   5.355
_cell_length_c   5.644
_cell_angle_alpha   67.439
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   345.030
_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  0.117  0.096  0.298  1.0
  Li  Li1  1  0.617  0.404  0.702  1.0
  Li  Li2  1  0.383  0.596  0.298  1.0
  Li  Li3  1  0.883  0.904  0.702  1.0
  Fe  Fe4  1  0.500  0.000  0.500  1.0
  Fe  Fe5  1  0.834  0.231  0.118  1.0
  Fe  Fe6  1  0.334  0.269  0.882  1.0
  Fe  Fe7  1  0.000  0.500  0.500  1.0
  Fe  Fe8  1  0.666  0.731  0.118  1.0
  Fe  Fe9  1  0.166  0.769  0.882  1.0
  F  F10  1  0.690  0.134  0.974  1.0
  F  F11  1  0.176  0.126  0.604  1.0
  F  F12  1  0.980  0.273  0.295  1.0
  F  F13  1  0.413  0.278  0.219  1.0
  F  F14  1  0.913  0.222  0.781  1.0
  F  F15  1  0.480  0.227  0.705  1.0
  F  F16  1  0.676  0.374  0.396  1.0
  F  F17  1  0.810  0.634  0.974  1.0
  F  F18  1  0.190  0.366  0.026  1.0
  F  F19  1  0.324  0.626  0.604  1.0
  F  F20  1  0.520  0.773  0.295  1.0
  F  F21  1  0.087  0.778  0.219  1.0
  F  F22  1  0.587  0.722  0.781  1.0
  F  F23  1  0.020  0.727  0.705  1.0
  F  F24  1  0.824  0.874  0.396  1.0
  F  F25  1  0.310  0.866  0.026  1.0
[/CIF]
.
The structure described by Li2Fe3F8 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one F(1), one F(2), one F(3), and one F(4) atom to form LiF4 tetrahedra that share corners with five equivalent Fe(2)F5 trigonal bipyramids. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a square co-planar geometry to two equivalent F(3) and two equivalent F(4) atoms. In the second Fe site, Fe(2) is bonded to one F(2), one F(3), one F(4), and two equivalent F(1) atoms to form FeF5 trigonal bipyramids that share corners with five equivalent Li(1)F4 tetrahedra and corners with two equivalent Fe(2)F5 trigonal bipyramids. There are four inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Li(1) and two equivalent Fe(2) atoms. In the second F site, F(2) is bonded in a water-like geometry to one Li(1) and one Fe(2) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Fe(1), and one Fe(2) atom. 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 CIF card [CIF]
data_Li2Fe3F8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.361
_cell_length_b   5.355
_cell_length_c   5.644
_cell_angle_alpha   67.439
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   345.030
_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  0.117  0.096  0.298  1.0
  Li  Li1  1  0.617  0.404  0.702  1.0
  Li  Li2  1  0.383  0.596  0.298  1.0
  Li  Li3  1  0.883  0.904  0.702  1.0
  Fe  Fe4  1  0.500  0.000  0.500  1.0
  Fe  Fe5  1  0.834  0.231  0.118  1.0
  Fe  Fe6  1  0.334  0.269  0.882  1.0
  Fe  Fe7  1  0.000  0.500  0.500  1.0
  Fe  Fe8  1  0.666  0.731  0.118  1.0
  Fe  Fe9  1  0.166  0.769  0.882  1.0
  F  F10  1  0.690  0.134  0.974  1.0
  F  F11  1  0.176  0.126  0.604  1.0
  F  F12  1  0.980  0.273  0.295  1.0
  F  F13  1  0.413  0.278  0.219  1.0
  F  F14  1  0.913  0.222  0.781  1.0
  F  F15  1  0.480  0.227  0.705  1.0
  F  F16  1  0.676  0.374  0.396  1.0
  F  F17  1  0.810  0.634  0.974  1.0
  F  F18  1  0.190  0.366  0.026  1.0
  F  F19  1  0.324  0.626  0.604  1.0
  F  F20  1  0.520  0.773  0.295  1.0
  F  F21  1  0.087  0.778  0.219  1.0
  F  F22  1  0.587  0.722  0.781  1.0
  F  F23  1  0.020  0.727  0.705  1.0
  F  F24  1  0.824  0.874  0.396  1.0
  F  F25  1  0.310  0.866  0.026  1.0
[/CIF]
.