The compound described by LiFe1 crystallizes in the orthorhombic Cmcm space group. Li(1) is bonded in a distorted q6 geometry to four equivalent Li(1) and six equivalent Fe(1) atoms. Fe(1) is bonded to six equivalent Li(1) and six equivalent Fe(1) atoms to form a mixture of distorted edge, corner, and face-sharing FeLi6Fe6 cuboctahedra. is represented by the CIF card [CIF]
data_LiFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.376
_cell_length_b   4.681
_cell_length_c   4.560
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   104.704
_symmetry_Int_Tables_number   1
_cell_volume   49.058
_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  0.000  0.000  0.000  1.0
  Li  Li1  1  0.000  0.000  0.500  1.0
  Fe  Fe2  1  0.257  0.513  0.250  1.0
  Fe  Fe3  1  0.743  0.487  0.750  1.0
[/CIF]
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The compound described by LiFe1 crystallizes in the orthorhombic Cmcm space group. Li(1) is bonded in a distorted q6 geometry to four equivalent Li(1) and six equivalent Fe(1) atoms. Fe(1) is bonded to six equivalent Li(1) and six equivalent Fe(1) atoms to form a mixture of distorted edge, corner, and face-sharing FeLi6Fe6 cuboctahedra. is represented by the CIF card [CIF]
data_LiFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.376
_cell_length_b   4.681
_cell_length_c   4.560
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   104.704
_symmetry_Int_Tables_number   1
_cell_volume   49.058
_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  0.000  0.000  0.000  1.0
  Li  Li1  1  0.000  0.000  0.500  1.0
  Fe  Fe2  1  0.257  0.513  0.250  1.0
  Fe  Fe3  1  0.743  0.487  0.750  1.0
[/CIF]
.