The material described by Li2Fe4O3F8 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 4-coordinate geometry to one F(1), one F(2), one F(3), and one F(4) atom. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 1-coordinate geometry to one O(1), two equivalent O(2), one F(2), and one F(4) atom. In the second Fe site, Fe(2) is bonded in a 6-coordinate geometry to two equivalent O(2), one F(1), one F(2), one F(3), and one F(4) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to two equivalent Fe(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Fe(1) and two equivalent Fe(2) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted water-like geometry to one Li(1) and one Fe(2) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Li(1), one Fe(1), and one Fe(2) atom. In the third F site, F(3) is bonded in a distorted bent 120 degrees geometry to one Li(1) and one Fe(2) atom. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to one Li(1), one Fe(1), and one Fe(2) atom. is represented by the CIF file [CIF]
data_Li2Fe4O3F8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.678
_cell_length_b   6.861
_cell_length_c   5.081
_cell_angle_alpha   105.742
_cell_angle_beta   96.674
_cell_angle_gamma   108.636
_symmetry_Int_Tables_number   1
_cell_volume   207.016
_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  0.391  0.663  0.179  1.0
  Li  Li1  1  0.609  0.337  0.821  1.0
  Fe  Fe2  1  0.972  0.909  0.250  1.0
  Fe  Fe3  1  0.759  0.345  0.378  1.0
  Fe  Fe4  1  0.241  0.655  0.622  1.0
  Fe  Fe5  1  0.028  0.091  0.750  1.0
  O  O6  1  0.000  0.000  0.000  1.0
  O  O7  1  0.950  0.736  0.528  1.0
  O  O8  1  0.050  0.264  0.472  1.0
  F  F9  1  0.801  0.486  0.116  1.0
  F  F10  1  0.662  0.946  0.204  1.0
  F  F11  1  0.478  0.372  0.289  1.0
  F  F12  1  0.255  0.804  0.358  1.0
  F  F13  1  0.745  0.196  0.642  1.0
  F  F14  1  0.522  0.628  0.711  1.0
  F  F15  1  0.338  0.054  0.796  1.0
  F  F16  1  0.199  0.514  0.884  1.0
[/CIF]
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The material described by Li2Fe4O3F8 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 4-coordinate geometry to one F(1), one F(2), one F(3), and one F(4) atom. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 1-coordinate geometry to one O(1), two equivalent O(2), one F(2), and one F(4) atom. In the second Fe site, Fe(2) is bonded in a 6-coordinate geometry to two equivalent O(2), one F(1), one F(2), one F(3), and one F(4) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to two equivalent Fe(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Fe(1) and two equivalent Fe(2) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted water-like geometry to one Li(1) and one Fe(2) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Li(1), one Fe(1), and one Fe(2) atom. In the third F site, F(3) is bonded in a distorted bent 120 degrees geometry to one Li(1) and one Fe(2) atom. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to one Li(1), one Fe(1), and one Fe(2) atom. is represented by the CIF file [CIF]
data_Li2Fe4O3F8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.678
_cell_length_b   6.861
_cell_length_c   5.081
_cell_angle_alpha   105.742
_cell_angle_beta   96.674
_cell_angle_gamma   108.636
_symmetry_Int_Tables_number   1
_cell_volume   207.016
_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  0.391  0.663  0.179  1.0
  Li  Li1  1  0.609  0.337  0.821  1.0
  Fe  Fe2  1  0.972  0.909  0.250  1.0
  Fe  Fe3  1  0.759  0.345  0.378  1.0
  Fe  Fe4  1  0.241  0.655  0.622  1.0
  Fe  Fe5  1  0.028  0.091  0.750  1.0
  O  O6  1  0.000  0.000  0.000  1.0
  O  O7  1  0.950  0.736  0.528  1.0
  O  O8  1  0.050  0.264  0.472  1.0
  F  F9  1  0.801  0.486  0.116  1.0
  F  F10  1  0.662  0.946  0.204  1.0
  F  F11  1  0.478  0.372  0.289  1.0
  F  F12  1  0.255  0.804  0.358  1.0
  F  F13  1  0.745  0.196  0.642  1.0
  F  F14  1  0.522  0.628  0.711  1.0
  F  F15  1  0.338  0.054  0.796  1.0
  F  F16  1  0.199  0.514  0.884  1.0
[/CIF]
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