The crystal structure described by LiCrO2 is Caswellsilverite-like structured and crystallizes in the orthorhombic Cmc2_1 space group. Li(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form LiO6 octahedra that share corners with nine equivalent Cr(1)O6 octahedra, edges with three equivalent Cr(1)O6 octahedra, edges with six equivalent Li(1)O6 octahedra, and  a faceface with one Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-48°. Cr(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form CrO6 octahedra that share corners with nine equivalent Li(1)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, edges with six equivalent Cr(1)O6 octahedra, and  a faceface with one Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-48°. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Li(1) and three equivalent Cr(1) atoms to form edge-sharing OLi3Cr3 octahedra. In the second O site, O(2) is bonded in a 6-coordinate geometry to three equivalent Li(1) and three equivalent Cr(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiCrO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.929
_cell_length_b   2.929
_cell_length_c   9.977
_cell_angle_alpha   90.001
_cell_angle_beta   90.000
_cell_angle_gamma   119.454
_symmetry_Int_Tables_number   1
_cell_volume   74.549
_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
  Cr  Cr0  1  0.667  0.333  0.500  1.0
  Cr  Cr1  1  0.333  0.667  1.000  1.0
  Li  Li2  1  0.667  0.333  0.240  1.0
  Li  Li3  1  0.333  0.666  0.740  1.0
  O  O4  1  0.002  0.998  0.613  1.0
  O  O5  1  0.998  0.002  0.113  1.0
  O  O6  1  0.668  0.332  0.888  1.0
  O  O7  1  0.332  0.668  0.388  1.0
[/CIF]
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The crystal structure described by LiCrO2 is Caswellsilverite-like structured and crystallizes in the orthorhombic Cmc2_1 space group. Li(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form LiO6 octahedra that share corners with nine equivalent Cr(1)O6 octahedra, edges with three equivalent Cr(1)O6 octahedra, edges with six equivalent Li(1)O6 octahedra, and  a faceface with one Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-48°. Cr(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form CrO6 octahedra that share corners with nine equivalent Li(1)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, edges with six equivalent Cr(1)O6 octahedra, and  a faceface with one Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-48°. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Li(1) and three equivalent Cr(1) atoms to form edge-sharing OLi3Cr3 octahedra. In the second O site, O(2) is bonded in a 6-coordinate geometry to three equivalent Li(1) and three equivalent Cr(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiCrO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.929
_cell_length_b   2.929
_cell_length_c   9.977
_cell_angle_alpha   90.001
_cell_angle_beta   90.000
_cell_angle_gamma   119.454
_symmetry_Int_Tables_number   1
_cell_volume   74.549
_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
  Cr  Cr0  1  0.667  0.333  0.500  1.0
  Cr  Cr1  1  0.333  0.667  1.000  1.0
  Li  Li2  1  0.667  0.333  0.240  1.0
  Li  Li3  1  0.333  0.666  0.740  1.0
  O  O4  1  0.002  0.998  0.613  1.0
  O  O5  1  0.998  0.002  0.113  1.0
  O  O6  1  0.668  0.332  0.888  1.0
  O  O7  1  0.332  0.668  0.388  1.0
[/CIF]
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