The structure described by LiFe2F5 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 3-coordinate geometry to one F(2), one F(5), and one F(8) atom. In the second Li site, Li(2) is bonded in a distorted trigonal non-coplanar geometry to one F(1), one F(10), and one F(9) atom. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 4-coordinate geometry to one F(1), one F(3), one F(6), and one F(7) atom. In the second Fe site, Fe(2) is bonded in a 4-coordinate geometry to one F(2), one F(4), one F(5), and one F(9) atom. In the third Fe site, Fe(3) is bonded in a 4-coordinate geometry to one F(10), one F(3), one F(6), and one F(8) atom. In the fourth Fe site, Fe(4) is bonded in a 4-coordinate geometry to one F(4), one F(6), one F(8), and one F(9) atom. There are ten inequivalent F sites. In the first F site, F(1) is bonded in a distorted water-like geometry to one Li(2) and one Fe(1) atom. In the second F site, F(2) is bonded in a distorted single-bond geometry to one Li(1) and one Fe(2) atom. In the third F site, F(3) is bonded in a 2-coordinate geometry to one Fe(1) and one Fe(3) atom. In the fourth F site, F(4) is bonded in a distorted bent 120 degrees geometry to one Fe(2) and one Fe(4) atom. In the fifth F site, F(5) is bonded in a water-like geometry to one Li(1) and one Fe(2) atom. In the sixth F site, F(6) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(3), and one Fe(4) atom. In the seventh F site, F(7) is bonded in a single-bond geometry to one Fe(1) atom. In the eighth F site, F(8) is bonded in a 3-coordinate geometry to one Li(1), one Fe(3), and one Fe(4) atom. In the ninth F site, F(9) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Fe(2), and one Fe(4) atom. In the tenth F site, F(10) is bonded in a distorted bent 120 degrees geometry to one Li(2) and one Fe(3) atom. is represented by the CIF card [CIF]
data_LiFe2F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.047
_cell_length_b   8.858
_cell_length_c   6.316
_cell_angle_alpha   91.085
_cell_angle_beta   101.253
_cell_angle_gamma   105.910
_symmetry_Int_Tables_number   1
_cell_volume   423.356
_cell_formula_units_Z   4
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  0.439  0.794  0.209  1.0
  Li  Li1  1  0.167  0.307  0.211  1.0
  Li  Li2  1  0.833  0.693  0.789  1.0
  Li  Li3  1  0.561  0.206  0.791  1.0
  Fe  Fe4  1  0.794  0.546  0.187  1.0
  Fe  Fe5  1  0.793  0.042  0.170  1.0
  Fe  Fe6  1  0.583  0.340  0.394  1.0
  Fe  Fe7  1  0.114  0.855  0.393  1.0
  Fe  Fe8  1  0.886  0.145  0.607  1.0
  Fe  Fe9  1  0.417  0.660  0.606  1.0
  Fe  Fe10  1  0.207  0.958  0.830  1.0
  Fe  Fe11  1  0.206  0.454  0.813  1.0
  F  F12  1  0.769  0.744  0.002  1.0
  F  F13  1  0.732  0.254  0.002  1.0
  F  F14  1  0.268  0.746  0.998  1.0
  F  F15  1  0.231  0.256  0.998  1.0
  F  F16  1  0.577  0.559  0.222  1.0
  F  F17  1  0.867  0.869  0.392  1.0
  F  F18  1  0.572  0.047  0.219  1.0
  F  F19  1  0.827  0.326  0.385  1.0
  F  F20  1  0.033  0.553  0.233  1.0
  F  F21  1  0.345  0.831  0.398  1.0
  F  F22  1  0.037  0.059  0.217  1.0
  F  F23  1  0.354  0.381  0.404  1.0
  F  F24  1  0.646  0.619  0.596  1.0
  F  F25  1  0.963  0.941  0.783  1.0
  F  F26  1  0.655  0.169  0.602  1.0
  F  F27  1  0.967  0.447  0.767  1.0
  F  F28  1  0.173  0.674  0.615  1.0
  F  F29  1  0.428  0.953  0.781  1.0
  F  F30  1  0.133  0.131  0.608  1.0
  F  F31  1  0.423  0.441  0.778  1.0
[/CIF]
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The structure described by LiFe2F5 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 3-coordinate geometry to one F(2), one F(5), and one F(8) atom. In the second Li site, Li(2) is bonded in a distorted trigonal non-coplanar geometry to one F(1), one F(10), and one F(9) atom. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 4-coordinate geometry to one F(1), one F(3), one F(6), and one F(7) atom. In the second Fe site, Fe(2) is bonded in a 4-coordinate geometry to one F(2), one F(4), one F(5), and one F(9) atom. In the third Fe site, Fe(3) is bonded in a 4-coordinate geometry to one F(10), one F(3), one F(6), and one F(8) atom. In the fourth Fe site, Fe(4) is bonded in a 4-coordinate geometry to one F(4), one F(6), one F(8), and one F(9) atom. There are ten inequivalent F sites. In the first F site, F(1) is bonded in a distorted water-like geometry to one Li(2) and one Fe(1) atom. In the second F site, F(2) is bonded in a distorted single-bond geometry to one Li(1) and one Fe(2) atom. In the third F site, F(3) is bonded in a 2-coordinate geometry to one Fe(1) and one Fe(3) atom. In the fourth F site, F(4) is bonded in a distorted bent 120 degrees geometry to one Fe(2) and one Fe(4) atom. In the fifth F site, F(5) is bonded in a water-like geometry to one Li(1) and one Fe(2) atom. In the sixth F site, F(6) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(3), and one Fe(4) atom. In the seventh F site, F(7) is bonded in a single-bond geometry to one Fe(1) atom. In the eighth F site, F(8) is bonded in a 3-coordinate geometry to one Li(1), one Fe(3), and one Fe(4) atom. In the ninth F site, F(9) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Fe(2), and one Fe(4) atom. In the tenth F site, F(10) is bonded in a distorted bent 120 degrees geometry to one Li(2) and one Fe(3) atom. is represented by the CIF card [CIF]
data_LiFe2F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.047
_cell_length_b   8.858
_cell_length_c   6.316
_cell_angle_alpha   91.085
_cell_angle_beta   101.253
_cell_angle_gamma   105.910
_symmetry_Int_Tables_number   1
_cell_volume   423.356
_cell_formula_units_Z   4
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  0.439  0.794  0.209  1.0
  Li  Li1  1  0.167  0.307  0.211  1.0
  Li  Li2  1  0.833  0.693  0.789  1.0
  Li  Li3  1  0.561  0.206  0.791  1.0
  Fe  Fe4  1  0.794  0.546  0.187  1.0
  Fe  Fe5  1  0.793  0.042  0.170  1.0
  Fe  Fe6  1  0.583  0.340  0.394  1.0
  Fe  Fe7  1  0.114  0.855  0.393  1.0
  Fe  Fe8  1  0.886  0.145  0.607  1.0
  Fe  Fe9  1  0.417  0.660  0.606  1.0
  Fe  Fe10  1  0.207  0.958  0.830  1.0
  Fe  Fe11  1  0.206  0.454  0.813  1.0
  F  F12  1  0.769  0.744  0.002  1.0
  F  F13  1  0.732  0.254  0.002  1.0
  F  F14  1  0.268  0.746  0.998  1.0
  F  F15  1  0.231  0.256  0.998  1.0
  F  F16  1  0.577  0.559  0.222  1.0
  F  F17  1  0.867  0.869  0.392  1.0
  F  F18  1  0.572  0.047  0.219  1.0
  F  F19  1  0.827  0.326  0.385  1.0
  F  F20  1  0.033  0.553  0.233  1.0
  F  F21  1  0.345  0.831  0.398  1.0
  F  F22  1  0.037  0.059  0.217  1.0
  F  F23  1  0.354  0.381  0.404  1.0
  F  F24  1  0.646  0.619  0.596  1.0
  F  F25  1  0.963  0.941  0.783  1.0
  F  F26  1  0.655  0.169  0.602  1.0
  F  F27  1  0.967  0.447  0.767  1.0
  F  F28  1  0.173  0.674  0.615  1.0
  F  F29  1  0.428  0.953  0.781  1.0
  F  F30  1  0.133  0.131  0.608  1.0
  F  F31  1  0.423  0.441  0.778  1.0
[/CIF]
.