The material described by LiFeF4 crystallizes in the tetragonal I4_1/amd space group. The structure consists of a LiFeF4 framework. Li(1) is bonded in a distorted tetrahedral geometry to four equivalent F(1) atoms. Fe(1) is bonded in a 4-coordinate geometry to four equivalent F(1) atoms. F(1) is bonded in a distorted bent 150 degrees geometry to one Li(1) and one Fe(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiFeF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.667
_cell_length_b   5.667
_cell_length_c   5.667
_cell_angle_alpha   111.204
_cell_angle_beta   111.204
_cell_angle_gamma   106.059
_symmetry_Int_Tables_number   1
_cell_volume   139.725
_cell_formula_units_Z   2
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  0.500  0.000  1.0
  Li  Li1  1  0.250  0.750  0.500  1.0
  Fe  Fe2  1  0.750  0.250  0.500  1.0
  Fe  Fe3  1  0.000  0.000  0.000  1.0
  F  F4  1  0.692  0.483  0.792  1.0
  F  F5  1  0.100  0.308  0.792  1.0
  F  F6  1  0.517  0.308  0.208  1.0
  F  F7  1  0.692  0.900  0.208  1.0
  F  F8  1  0.058  0.350  0.292  1.0
  F  F9  1  0.650  0.942  0.708  1.0
  F  F10  1  0.233  0.942  0.292  1.0
  F  F11  1  0.058  0.767  0.708  1.0
[/CIF]
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The material described by LiFeF4 crystallizes in the tetragonal I4_1/amd space group. The structure consists of a LiFeF4 framework. Li(1) is bonded in a distorted tetrahedral geometry to four equivalent F(1) atoms. Fe(1) is bonded in a 4-coordinate geometry to four equivalent F(1) atoms. F(1) is bonded in a distorted bent 150 degrees geometry to one Li(1) and one Fe(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiFeF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.667
_cell_length_b   5.667
_cell_length_c   5.667
_cell_angle_alpha   111.204
_cell_angle_beta   111.204
_cell_angle_gamma   106.059
_symmetry_Int_Tables_number   1
_cell_volume   139.725
_cell_formula_units_Z   2
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  0.500  0.000  1.0
  Li  Li1  1  0.250  0.750  0.500  1.0
  Fe  Fe2  1  0.750  0.250  0.500  1.0
  Fe  Fe3  1  0.000  0.000  0.000  1.0
  F  F4  1  0.692  0.483  0.792  1.0
  F  F5  1  0.100  0.308  0.792  1.0
  F  F6  1  0.517  0.308  0.208  1.0
  F  F7  1  0.692  0.900  0.208  1.0
  F  F8  1  0.058  0.350  0.292  1.0
  F  F9  1  0.650  0.942  0.708  1.0
  F  F10  1  0.233  0.942  0.292  1.0
  F  F11  1  0.058  0.767  0.708  1.0
[/CIF]
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