The crystal structure described by Li2CrO2 crystallizes in the orthorhombic Cmc2_1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a trigonal non-coplanar geometry to one O(1) and two equivalent O(2) atoms. In the second Li site, Li(2) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form distorted corner-sharing LiO4 tetrahedra. Cr(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Li(2), and two equivalent Cr(1) atoms to form OLi3Cr2 square pyramids that share corners with four equivalent O(2)Li4Cr2 octahedra, edges with three equivalent O(2)Li4Cr2 octahedra, and edges with two equivalent O(1)Li3Cr2 square pyramids. The corner-sharing octahedral tilt angles range from 2-61°. In the second O site, O(2) is bonded to two equivalent Li(1), two equivalent Li(2), and two equivalent Cr(1) atoms to form OLi4Cr2 octahedra that share corners with two equivalent O(2)Li4Cr2 octahedra, corners with four equivalent O(1)Li3Cr2 square pyramids, edges with two equivalent O(2)Li4Cr2 octahedra, and edges with three equivalent O(1)Li3Cr2 square pyramids. The corner-sharing octahedral tilt angles are 60°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2CrO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.141
_cell_length_b   5.141
_cell_length_c   7.206
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   146.630
_symmetry_Int_Tables_number   1
_cell_volume   104.764
_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  0.886  0.114  0.634  1.0
  Li  Li1  1  0.605  0.395  0.853  1.0
  Li  Li2  1  0.114  0.886  0.134  1.0
  Li  Li3  1  0.395  0.605  0.353  1.0
  Cr  Cr4  1  0.857  0.143  0.011  1.0
  Cr  Cr5  1  0.143  0.857  0.511  1.0
  O  O6  1  0.767  0.233  0.416  1.0
  O  O7  1  0.514  0.486  0.601  1.0
  O  O8  1  0.233  0.767  0.916  1.0
  O  O9  1  0.486  0.514  0.101  1.0
[/CIF]
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The crystal structure described by Li2CrO2 crystallizes in the orthorhombic Cmc2_1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a trigonal non-coplanar geometry to one O(1) and two equivalent O(2) atoms. In the second Li site, Li(2) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form distorted corner-sharing LiO4 tetrahedra. Cr(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Li(2), and two equivalent Cr(1) atoms to form OLi3Cr2 square pyramids that share corners with four equivalent O(2)Li4Cr2 octahedra, edges with three equivalent O(2)Li4Cr2 octahedra, and edges with two equivalent O(1)Li3Cr2 square pyramids. The corner-sharing octahedral tilt angles range from 2-61°. In the second O site, O(2) is bonded to two equivalent Li(1), two equivalent Li(2), and two equivalent Cr(1) atoms to form OLi4Cr2 octahedra that share corners with two equivalent O(2)Li4Cr2 octahedra, corners with four equivalent O(1)Li3Cr2 square pyramids, edges with two equivalent O(2)Li4Cr2 octahedra, and edges with three equivalent O(1)Li3Cr2 square pyramids. The corner-sharing octahedral tilt angles are 60°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2CrO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.141
_cell_length_b   5.141
_cell_length_c   7.206
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   146.630
_symmetry_Int_Tables_number   1
_cell_volume   104.764
_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  0.886  0.114  0.634  1.0
  Li  Li1  1  0.605  0.395  0.853  1.0
  Li  Li2  1  0.114  0.886  0.134  1.0
  Li  Li3  1  0.395  0.605  0.353  1.0
  Cr  Cr4  1  0.857  0.143  0.011  1.0
  Cr  Cr5  1  0.143  0.857  0.511  1.0
  O  O6  1  0.767  0.233  0.416  1.0
  O  O7  1  0.514  0.486  0.601  1.0
  O  O8  1  0.233  0.767  0.916  1.0
  O  O9  1  0.486  0.514  0.101  1.0
[/CIF]
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