The compound 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 to one F(2), one F(3), one F(5), and one F(8) atom to form LiF4 tetrahedra that share  a cornercorner with one Fe(4)F6 octahedra, corners with two equivalent Fe(1)F6 octahedra, corners with two equivalent Fe(2)F6 octahedra, and corners with three equivalent Fe(3)F6 octahedra. The corner-sharing octahedral tilt angles range from 50-58°. In the second Li site, Li(2) is bonded to one F(1), one F(10), one F(7), and one F(9) atom to form LiF4 tetrahedra that share corners with two equivalent Fe(1)F6 octahedra, corners with two equivalent Fe(2)F6 octahedra, corners with two equivalent Fe(3)F6 octahedra, and corners with two equivalent Fe(4)F6 octahedra. The corner-sharing octahedral tilt angles range from 50-58°. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one F(1), one F(2), one F(3), one F(4), one F(6), and one F(7) atom to form FeF6 octahedra that share corners with two equivalent Fe(4)F6 octahedra, corners with two equivalent Li(1)F4 tetrahedra, corners with two equivalent Li(2)F4 tetrahedra,  an edgeedge with one Fe(3)F6 octahedra,  an edgeedge with one Fe(4)F6 octahedra, and edges with two equivalent Fe(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 8-15°. In the second Fe site, Fe(2) is bonded to one F(1), one F(2), one F(4), one F(5), one F(6), and one F(9) atom to form FeF6 octahedra that share corners with two equivalent Li(1)F4 tetrahedra, corners with two equivalent Li(2)F4 tetrahedra,  an edgeedge with one Fe(3)F6 octahedra, edges with two equivalent Fe(1)F6 octahedra, and edges with two equivalent Fe(4)F6 octahedra. In the third Fe site, Fe(3) is bonded to one F(3), one F(5), one F(6), one F(8), and two equivalent F(10) atoms to form FeF6 octahedra that share corners with two equivalent Li(2)F4 tetrahedra, corners with three equivalent Li(1)F4 tetrahedra,  an edgeedge with one Fe(1)F6 octahedra,  an edgeedge with one Fe(2)F6 octahedra,  an edgeedge with one Fe(3)F6 octahedra, and  an edgeedge with one Fe(4)F6 octahedra. In the fourth Fe site, Fe(4) is bonded to one F(6), one F(7), one F(8), one F(9), and two equivalent F(4) atoms to form FeF6 octahedra that share corners with two equivalent Fe(1)F6 octahedra,  a cornercorner with one Li(1)F4 tetrahedra, corners with two equivalent Li(2)F4 tetrahedra,  an edgeedge with one Fe(1)F6 octahedra,  an edgeedge with one Fe(3)F6 octahedra,  an edgeedge with one Fe(4)F6 octahedra, and edges with two equivalent Fe(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 8-15°. There are ten inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Li(2), one Fe(1), and one Fe(2) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Fe(1), and one Fe(2) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to one Li(1), one Fe(1), and one Fe(3) atom. In the fourth F site, F(4) is bonded in a rectangular see-saw-like geometry to one Fe(1), one Fe(2), and two equivalent Fe(4) atoms. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one Li(1), one Fe(2), and one Fe(3) atom. In the sixth F site, F(6) is bonded in a rectangular see-saw-like geometry to one Fe(1), one Fe(2), one Fe(3), and one Fe(4) atom. In the seventh F site, F(7) is bonded in a trigonal planar geometry to one Li(2), one Fe(1), and one Fe(4) atom. In the eighth F site, F(8) is bonded in a distorted trigonal planar geometry to one Li(1), one Fe(3), and one Fe(4) atom. In the ninth F site, F(9) is bonded in a trigonal planar 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 trigonal planar geometry to one Li(2) and two equivalent Fe(3) atoms. is represented by the CIF file [CIF]
data_LiFe2F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.316
_cell_length_b   8.047
_cell_length_c   8.858
_cell_angle_alpha   105.910
_cell_angle_beta   91.085
_cell_angle_gamma   101.253
_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  0.794  0.209  0.439  1.0
  Li  Li1  1  0.307  0.211  0.167  1.0
  Li  Li2  1  0.693  0.789  0.833  1.0
  Li  Li3  1  0.206  0.791  0.561  1.0
  Fe  Fe4  1  0.546  0.187  0.794  1.0
  Fe  Fe5  1  0.042  0.170  0.793  1.0
  Fe  Fe6  1  0.340  0.394  0.583  1.0
  Fe  Fe7  1  0.855  0.393  0.114  1.0
  Fe  Fe8  1  0.145  0.607  0.886  1.0
  Fe  Fe9  1  0.660  0.606  0.417  1.0
  Fe  Fe10  1  0.958  0.830  0.207  1.0
  Fe  Fe11  1  0.454  0.813  0.206  1.0
  F  F12  1  0.744  0.002  0.769  1.0
  F  F13  1  0.254  0.002  0.732  1.0
  F  F14  1  0.746  0.998  0.268  1.0
  F  F15  1  0.256  0.998  0.231  1.0
  F  F16  1  0.559  0.222  0.577  1.0
  F  F17  1  0.869  0.392  0.867  1.0
  F  F18  1  0.047  0.219  0.572  1.0
  F  F19  1  0.326  0.385  0.827  1.0
  F  F20  1  0.553  0.233  0.033  1.0
  F  F21  1  0.831  0.398  0.345  1.0
  F  F22  1  0.059  0.217  0.037  1.0
  F  F23  1  0.381  0.404  0.354  1.0
  F  F24  1  0.619  0.596  0.646  1.0
  F  F25  1  0.941  0.783  0.963  1.0
  F  F26  1  0.169  0.602  0.655  1.0
  F  F27  1  0.447  0.767  0.967  1.0
  F  F28  1  0.674  0.615  0.173  1.0
  F  F29  1  0.953  0.781  0.428  1.0
  F  F30  1  0.131  0.608  0.133  1.0
  F  F31  1  0.441  0.778  0.423  1.0
[/CIF]
.
The compound 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 to one F(2), one F(3), one F(5), and one F(8) atom to form LiF4 tetrahedra that share  a cornercorner with one Fe(4)F6 octahedra, corners with two equivalent Fe(1)F6 octahedra, corners with two equivalent Fe(2)F6 octahedra, and corners with three equivalent Fe(3)F6 octahedra. The corner-sharing octahedral tilt angles range from 50-58°. In the second Li site, Li(2) is bonded to one F(1), one F(10), one F(7), and one F(9) atom to form LiF4 tetrahedra that share corners with two equivalent Fe(1)F6 octahedra, corners with two equivalent Fe(2)F6 octahedra, corners with two equivalent Fe(3)F6 octahedra, and corners with two equivalent Fe(4)F6 octahedra. The corner-sharing octahedral tilt angles range from 50-58°. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one F(1), one F(2), one F(3), one F(4), one F(6), and one F(7) atom to form FeF6 octahedra that share corners with two equivalent Fe(4)F6 octahedra, corners with two equivalent Li(1)F4 tetrahedra, corners with two equivalent Li(2)F4 tetrahedra,  an edgeedge with one Fe(3)F6 octahedra,  an edgeedge with one Fe(4)F6 octahedra, and edges with two equivalent Fe(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 8-15°. In the second Fe site, Fe(2) is bonded to one F(1), one F(2), one F(4), one F(5), one F(6), and one F(9) atom to form FeF6 octahedra that share corners with two equivalent Li(1)F4 tetrahedra, corners with two equivalent Li(2)F4 tetrahedra,  an edgeedge with one Fe(3)F6 octahedra, edges with two equivalent Fe(1)F6 octahedra, and edges with two equivalent Fe(4)F6 octahedra. In the third Fe site, Fe(3) is bonded to one F(3), one F(5), one F(6), one F(8), and two equivalent F(10) atoms to form FeF6 octahedra that share corners with two equivalent Li(2)F4 tetrahedra, corners with three equivalent Li(1)F4 tetrahedra,  an edgeedge with one Fe(1)F6 octahedra,  an edgeedge with one Fe(2)F6 octahedra,  an edgeedge with one Fe(3)F6 octahedra, and  an edgeedge with one Fe(4)F6 octahedra. In the fourth Fe site, Fe(4) is bonded to one F(6), one F(7), one F(8), one F(9), and two equivalent F(4) atoms to form FeF6 octahedra that share corners with two equivalent Fe(1)F6 octahedra,  a cornercorner with one Li(1)F4 tetrahedra, corners with two equivalent Li(2)F4 tetrahedra,  an edgeedge with one Fe(1)F6 octahedra,  an edgeedge with one Fe(3)F6 octahedra,  an edgeedge with one Fe(4)F6 octahedra, and edges with two equivalent Fe(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 8-15°. There are ten inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Li(2), one Fe(1), and one Fe(2) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Fe(1), and one Fe(2) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to one Li(1), one Fe(1), and one Fe(3) atom. In the fourth F site, F(4) is bonded in a rectangular see-saw-like geometry to one Fe(1), one Fe(2), and two equivalent Fe(4) atoms. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one Li(1), one Fe(2), and one Fe(3) atom. In the sixth F site, F(6) is bonded in a rectangular see-saw-like geometry to one Fe(1), one Fe(2), one Fe(3), and one Fe(4) atom. In the seventh F site, F(7) is bonded in a trigonal planar geometry to one Li(2), one Fe(1), and one Fe(4) atom. In the eighth F site, F(8) is bonded in a distorted trigonal planar geometry to one Li(1), one Fe(3), and one Fe(4) atom. In the ninth F site, F(9) is bonded in a trigonal planar 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 trigonal planar geometry to one Li(2) and two equivalent Fe(3) atoms. is represented by the CIF file [CIF]
data_LiFe2F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.316
_cell_length_b   8.047
_cell_length_c   8.858
_cell_angle_alpha   105.910
_cell_angle_beta   91.085
_cell_angle_gamma   101.253
_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  0.794  0.209  0.439  1.0
  Li  Li1  1  0.307  0.211  0.167  1.0
  Li  Li2  1  0.693  0.789  0.833  1.0
  Li  Li3  1  0.206  0.791  0.561  1.0
  Fe  Fe4  1  0.546  0.187  0.794  1.0
  Fe  Fe5  1  0.042  0.170  0.793  1.0
  Fe  Fe6  1  0.340  0.394  0.583  1.0
  Fe  Fe7  1  0.855  0.393  0.114  1.0
  Fe  Fe8  1  0.145  0.607  0.886  1.0
  Fe  Fe9  1  0.660  0.606  0.417  1.0
  Fe  Fe10  1  0.958  0.830  0.207  1.0
  Fe  Fe11  1  0.454  0.813  0.206  1.0
  F  F12  1  0.744  0.002  0.769  1.0
  F  F13  1  0.254  0.002  0.732  1.0
  F  F14  1  0.746  0.998  0.268  1.0
  F  F15  1  0.256  0.998  0.231  1.0
  F  F16  1  0.559  0.222  0.577  1.0
  F  F17  1  0.869  0.392  0.867  1.0
  F  F18  1  0.047  0.219  0.572  1.0
  F  F19  1  0.326  0.385  0.827  1.0
  F  F20  1  0.553  0.233  0.033  1.0
  F  F21  1  0.831  0.398  0.345  1.0
  F  F22  1  0.059  0.217  0.037  1.0
  F  F23  1  0.381  0.404  0.354  1.0
  F  F24  1  0.619  0.596  0.646  1.0
  F  F25  1  0.941  0.783  0.963  1.0
  F  F26  1  0.169  0.602  0.655  1.0
  F  F27  1  0.447  0.767  0.967  1.0
  F  F28  1  0.674  0.615  0.173  1.0
  F  F29  1  0.953  0.781  0.428  1.0
  F  F30  1  0.131  0.608  0.133  1.0
  F  F31  1  0.441  0.778  0.423  1.0
[/CIF]
.