The structure described by Li2FeF5 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a rectangular see-saw-like geometry to two equivalent F(3) and two equivalent F(4) atoms. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one F(2) and four equivalent F(3) atoms. Fe(1) is bonded to one F(2), one F(4), two equivalent F(1), and two equivalent F(3) atoms to form corner-sharing FeF6 octahedra. The corner-sharing octahedra are not tilted. There are four inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to two equivalent Fe(1) atoms. In the second F site, F(2) is bonded in a linear geometry to one Li(2) and one Fe(1) atom. In the third F site, F(3) is bonded to one Li(1), two equivalent Li(2), and one Fe(1) atom to form a mixture of distorted edge and corner-sharing FLi3Fe tetrahedra. In the fourth F site, F(4) is bonded in a trigonal planar geometry to two equivalent Li(1) and one Fe(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2FeF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.465
_cell_length_b   7.424
_cell_length_c   9.598
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   389.426
_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  0.750  0.933  0.281  1.0
  Li  Li1  1  0.250  0.086  0.430  1.0
  Li  Li2  1  0.750  0.414  0.930  1.0
  Li  Li3  1  0.250  0.567  0.781  1.0
  Li  Li4  1  0.750  0.433  0.219  1.0
  Li  Li5  1  0.250  0.586  0.070  1.0
  Li  Li6  1  0.750  0.914  0.570  1.0
  Li  Li7  1  0.250  0.067  0.719  1.0
  Fe  Fe8  1  0.250  0.183  0.049  1.0
  Fe  Fe9  1  0.750  0.317  0.549  1.0
  Fe  Fe10  1  0.250  0.683  0.451  1.0
  Fe  Fe11  1  0.750  0.817  0.951  1.0
  F  F12  1  0.000  0.000  0.000  1.0
  F  F13  1  0.500  0.000  0.000  1.0
  F  F14  1  0.250  0.111  0.238  1.0
  F  F15  1  0.496  0.136  0.583  1.0
  F  F16  1  0.004  0.136  0.583  1.0
  F  F17  1  0.750  0.237  0.352  1.0
  F  F18  1  0.250  0.263  0.852  1.0
  F  F19  1  0.996  0.364  0.083  1.0
  F  F20  1  0.504  0.364  0.083  1.0
  F  F21  1  0.750  0.389  0.738  1.0
  F  F22  1  0.000  0.500  0.500  1.0
  F  F23  1  0.500  0.500  0.500  1.0
  F  F24  1  0.250  0.611  0.262  1.0
  F  F25  1  0.496  0.636  0.917  1.0
  F  F26  1  0.004  0.636  0.917  1.0
  F  F27  1  0.750  0.737  0.148  1.0
  F  F28  1  0.250  0.763  0.648  1.0
  F  F29  1  0.996  0.864  0.417  1.0
  F  F30  1  0.504  0.864  0.417  1.0
  F  F31  1  0.750  0.889  0.762  1.0
[/CIF]
.
The structure described by Li2FeF5 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a rectangular see-saw-like geometry to two equivalent F(3) and two equivalent F(4) atoms. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one F(2) and four equivalent F(3) atoms. Fe(1) is bonded to one F(2), one F(4), two equivalent F(1), and two equivalent F(3) atoms to form corner-sharing FeF6 octahedra. The corner-sharing octahedra are not tilted. There are four inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to two equivalent Fe(1) atoms. In the second F site, F(2) is bonded in a linear geometry to one Li(2) and one Fe(1) atom. In the third F site, F(3) is bonded to one Li(1), two equivalent Li(2), and one Fe(1) atom to form a mixture of distorted edge and corner-sharing FLi3Fe tetrahedra. In the fourth F site, F(4) is bonded in a trigonal planar geometry to two equivalent Li(1) and one Fe(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2FeF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.465
_cell_length_b   7.424
_cell_length_c   9.598
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   389.426
_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  0.750  0.933  0.281  1.0
  Li  Li1  1  0.250  0.086  0.430  1.0
  Li  Li2  1  0.750  0.414  0.930  1.0
  Li  Li3  1  0.250  0.567  0.781  1.0
  Li  Li4  1  0.750  0.433  0.219  1.0
  Li  Li5  1  0.250  0.586  0.070  1.0
  Li  Li6  1  0.750  0.914  0.570  1.0
  Li  Li7  1  0.250  0.067  0.719  1.0
  Fe  Fe8  1  0.250  0.183  0.049  1.0
  Fe  Fe9  1  0.750  0.317  0.549  1.0
  Fe  Fe10  1  0.250  0.683  0.451  1.0
  Fe  Fe11  1  0.750  0.817  0.951  1.0
  F  F12  1  0.000  0.000  0.000  1.0
  F  F13  1  0.500  0.000  0.000  1.0
  F  F14  1  0.250  0.111  0.238  1.0
  F  F15  1  0.496  0.136  0.583  1.0
  F  F16  1  0.004  0.136  0.583  1.0
  F  F17  1  0.750  0.237  0.352  1.0
  F  F18  1  0.250  0.263  0.852  1.0
  F  F19  1  0.996  0.364  0.083  1.0
  F  F20  1  0.504  0.364  0.083  1.0
  F  F21  1  0.750  0.389  0.738  1.0
  F  F22  1  0.000  0.500  0.500  1.0
  F  F23  1  0.500  0.500  0.500  1.0
  F  F24  1  0.250  0.611  0.262  1.0
  F  F25  1  0.496  0.636  0.917  1.0
  F  F26  1  0.004  0.636  0.917  1.0
  F  F27  1  0.750  0.737  0.148  1.0
  F  F28  1  0.250  0.763  0.648  1.0
  F  F29  1  0.996  0.864  0.417  1.0
  F  F30  1  0.504  0.864  0.417  1.0
  F  F31  1  0.750  0.889  0.762  1.0
[/CIF]
.