The material described by LiCrO2 is Caswellsilverite-like structured and crystallizes in the cubic Fd-3m space group. Li(1) is bonded to six equivalent O(1) atoms to form LiO6 octahedra that share corners with six equivalent Cr(1)O6 octahedra, edges with six equivalent Li(1)O6 octahedra, and edges with six equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 5°. Cr(1) is bonded to six equivalent O(1) atoms to form CrO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with six equivalent Li(1)O6 octahedra, and edges with six equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 5°. O(1) is bonded to three equivalent Li(1) and three equivalent Cr(1) atoms to form a mixture of corner and edge-sharing OLi3Cr3 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiCrO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.830
_cell_length_b   5.830
_cell_length_c   5.828
_cell_angle_alpha   60.007
_cell_angle_beta   60.007
_cell_angle_gamma   60.016
_symmetry_Int_Tables_number   1
_cell_volume   140.090
_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  0.000  0.500  0.500  1.0
  Li  Li1  1  0.500  0.000  0.500  1.0
  Li  Li2  1  0.500  0.500  0.000  1.0
  Li  Li3  1  0.500  0.500  0.500  1.0
  Cr  Cr4  1  0.000  0.000  0.000  1.0
  Cr  Cr5  1  0.000  0.000  0.500  1.0
  Cr  Cr6  1  0.000  0.500  0.000  1.0
  Cr  Cr7  1  0.500  0.000  0.000  1.0
  O  O8  1  0.242  0.242  0.242  1.0
  O  O9  1  0.242  0.774  0.242  1.0
  O  O10  1  0.242  0.242  0.774  1.0
  O  O11  1  0.226  0.758  0.758  1.0
  O  O12  1  0.774  0.242  0.242  1.0
  O  O13  1  0.758  0.758  0.226  1.0
  O  O14  1  0.758  0.226  0.758  1.0
  O  O15  1  0.758  0.758  0.758  1.0
[/CIF]
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The material described by LiCrO2 is Caswellsilverite-like structured and crystallizes in the cubic Fd-3m space group. Li(1) is bonded to six equivalent O(1) atoms to form LiO6 octahedra that share corners with six equivalent Cr(1)O6 octahedra, edges with six equivalent Li(1)O6 octahedra, and edges with six equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 5°. Cr(1) is bonded to six equivalent O(1) atoms to form CrO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with six equivalent Li(1)O6 octahedra, and edges with six equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 5°. O(1) is bonded to three equivalent Li(1) and three equivalent Cr(1) atoms to form a mixture of corner and edge-sharing OLi3Cr3 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiCrO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.830
_cell_length_b   5.830
_cell_length_c   5.828
_cell_angle_alpha   60.007
_cell_angle_beta   60.007
_cell_angle_gamma   60.016
_symmetry_Int_Tables_number   1
_cell_volume   140.090
_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  0.000  0.500  0.500  1.0
  Li  Li1  1  0.500  0.000  0.500  1.0
  Li  Li2  1  0.500  0.500  0.000  1.0
  Li  Li3  1  0.500  0.500  0.500  1.0
  Cr  Cr4  1  0.000  0.000  0.000  1.0
  Cr  Cr5  1  0.000  0.000  0.500  1.0
  Cr  Cr6  1  0.000  0.500  0.000  1.0
  Cr  Cr7  1  0.500  0.000  0.000  1.0
  O  O8  1  0.242  0.242  0.242  1.0
  O  O9  1  0.242  0.774  0.242  1.0
  O  O10  1  0.242  0.242  0.774  1.0
  O  O11  1  0.226  0.758  0.758  1.0
  O  O12  1  0.774  0.242  0.242  1.0
  O  O13  1  0.758  0.758  0.226  1.0
  O  O14  1  0.758  0.226  0.758  1.0
  O  O15  1  0.758  0.758  0.758  1.0
[/CIF]
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