The crystal structure described by Li2FeF4 crystallizes in the orthorhombic Cmmm space group. Li(1) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form LiF6 octahedra that share corners with six equivalent Li(1)F6 octahedra, edges with four equivalent Li(1)F6 octahedra, and edges with four equivalent Fe(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 2-7°. Fe(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form FeF6 octahedra that share edges with two equivalent Fe(1)F6 octahedra and edges with eight equivalent Li(1)F6 octahedra. There are two inequivalent F sites. In the first F site, F(1) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1) and two equivalent Fe(1) atoms. In the second F site, F(2) is bonded to four equivalent Li(1) and one Fe(1) atom to form a mixture of edge and corner-sharing FLi4Fe square pyramids. is represented by the CIF card [CIF]
data_Li2FeF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.280
_cell_length_b   5.280
_cell_length_c   2.983
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   111.081
_symmetry_Int_Tables_number   1
_cell_volume   77.618
_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  0.500  0.000  0.500  1.0
  Li  Li1  1  0.000  0.500  0.500  1.0
  Fe  Fe2  1  0.000  0.000  0.000  1.0
  F  F3  1  0.242  0.242  0.500  1.0
  F  F4  1  0.765  0.235  0.000  1.0
  F  F5  1  0.235  0.765  0.000  1.0
  F  F6  1  0.758  0.758  0.500  1.0
[/CIF]
.
The crystal structure described by Li2FeF4 crystallizes in the orthorhombic Cmmm space group. Li(1) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form LiF6 octahedra that share corners with six equivalent Li(1)F6 octahedra, edges with four equivalent Li(1)F6 octahedra, and edges with four equivalent Fe(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 2-7°. Fe(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form FeF6 octahedra that share edges with two equivalent Fe(1)F6 octahedra and edges with eight equivalent Li(1)F6 octahedra. There are two inequivalent F sites. In the first F site, F(1) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1) and two equivalent Fe(1) atoms. In the second F site, F(2) is bonded to four equivalent Li(1) and one Fe(1) atom to form a mixture of edge and corner-sharing FLi4Fe square pyramids. is represented by the CIF card [CIF]
data_Li2FeF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.280
_cell_length_b   5.280
_cell_length_c   2.983
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   111.081
_symmetry_Int_Tables_number   1
_cell_volume   77.618
_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  0.500  0.000  0.500  1.0
  Li  Li1  1  0.000  0.500  0.500  1.0
  Fe  Fe2  1  0.000  0.000  0.000  1.0
  F  F3  1  0.242  0.242  0.500  1.0
  F  F4  1  0.765  0.235  0.000  1.0
  F  F5  1  0.235  0.765  0.000  1.0
  F  F6  1  0.758  0.758  0.500  1.0
[/CIF]
.