The crystal structure described by LiFeO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. Li(1) is bonded to twelve equivalent O(1) atoms to form LiO12 cuboctahedra that share corners with twelve equivalent Li(1)O12 cuboctahedra, faces with six equivalent Li(1)O12 cuboctahedra, and faces with eight equivalent Fe(1)O6 octahedra. Fe(1) is bonded to six equivalent O(1) atoms to form FeO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra and faces with eight equivalent Li(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. O(1) is bonded in a linear geometry to four equivalent Li(1) and two equivalent Fe(1) atoms. is represented by the CIF file [CIF]
data_LiFeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.777
_cell_length_b   3.777
_cell_length_c   3.777
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   53.879
_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  0.000  0.000  0.000  1.0
  Fe  Fe1  1  0.500  0.500  0.500  1.0
  O  O2  1  0.500  0.500  0.000  1.0
  O  O3  1  0.500  0.000  0.500  1.0
  O  O4  1  0.000  0.500  0.500  1.0
[/CIF]
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The crystal structure described by LiFeO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. Li(1) is bonded to twelve equivalent O(1) atoms to form LiO12 cuboctahedra that share corners with twelve equivalent Li(1)O12 cuboctahedra, faces with six equivalent Li(1)O12 cuboctahedra, and faces with eight equivalent Fe(1)O6 octahedra. Fe(1) is bonded to six equivalent O(1) atoms to form FeO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra and faces with eight equivalent Li(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. O(1) is bonded in a linear geometry to four equivalent Li(1) and two equivalent Fe(1) atoms. is represented by the CIF file [CIF]
data_LiFeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.777
_cell_length_b   3.777
_cell_length_c   3.777
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   53.879
_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  0.000  0.000  0.000  1.0
  Fe  Fe1  1  0.500  0.500  0.500  1.0
  O  O2  1  0.500  0.500  0.000  1.0
  O  O3  1  0.500  0.000  0.500  1.0
  O  O4  1  0.000  0.500  0.500  1.0
[/CIF]
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