The compound described by Li2CrO2 is Ilmenite-like structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2) and three equivalent O(1) atoms to form a mixture of distorted edge and corner-sharing LiO4 tetrahedra. In the second Li site, Li(2) is bonded to one O(1) and three equivalent O(2) atoms to form a mixture of distorted edge and 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(2), three equivalent Li(1), and two equivalent Cr(1) atoms to form a mixture of edge and corner-sharing OLi4Cr2 octahedra. The corner-sharing octahedral tilt angles range from 3-42°. In the second O site, O(2) is bonded to one Li(1), three equivalent Li(2), and two equivalent Cr(1) atoms to form a mixture of edge and corner-sharing OLi4Cr2 octahedra. The corner-sharing octahedral tilt angles range from 3-42°. is represented by the CIF card [CIF]
data_Li2CrO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.986
_cell_length_b   5.416
_cell_length_c   7.359
_cell_angle_alpha   70.151
_cell_angle_beta   90.003
_cell_angle_gamma   73.993
_symmetry_Int_Tables_number   1
_cell_volume   107.021
_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  0.000  1.000  0.009  1.0
  Cr  Cr1  1  1.000  0.000  0.491  1.0
  Li  Li2  1  0.284  0.432  0.642  1.0
  Li  Li3  1  0.283  0.433  0.142  1.0
  Li  Li4  1  0.717  0.567  0.358  1.0
  Li  Li5  1  0.716  0.568  0.858  1.0
  O  O6  1  0.644  0.711  0.571  1.0
  O  O7  1  0.644  0.712  0.073  1.0
  O  O8  1  0.356  0.288  0.427  1.0
  O  O9  1  0.356  0.289  0.929  1.0
[/CIF]
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The compound described by Li2CrO2 is Ilmenite-like structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2) and three equivalent O(1) atoms to form a mixture of distorted edge and corner-sharing LiO4 tetrahedra. In the second Li site, Li(2) is bonded to one O(1) and three equivalent O(2) atoms to form a mixture of distorted edge and 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(2), three equivalent Li(1), and two equivalent Cr(1) atoms to form a mixture of edge and corner-sharing OLi4Cr2 octahedra. The corner-sharing octahedral tilt angles range from 3-42°. In the second O site, O(2) is bonded to one Li(1), three equivalent Li(2), and two equivalent Cr(1) atoms to form a mixture of edge and corner-sharing OLi4Cr2 octahedra. The corner-sharing octahedral tilt angles range from 3-42°. is represented by the CIF card [CIF]
data_Li2CrO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.986
_cell_length_b   5.416
_cell_length_c   7.359
_cell_angle_alpha   70.151
_cell_angle_beta   90.003
_cell_angle_gamma   73.993
_symmetry_Int_Tables_number   1
_cell_volume   107.021
_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  0.000  1.000  0.009  1.0
  Cr  Cr1  1  1.000  0.000  0.491  1.0
  Li  Li2  1  0.284  0.432  0.642  1.0
  Li  Li3  1  0.283  0.433  0.142  1.0
  Li  Li4  1  0.717  0.567  0.358  1.0
  Li  Li5  1  0.716  0.568  0.858  1.0
  O  O6  1  0.644  0.711  0.571  1.0
  O  O7  1  0.644  0.712  0.073  1.0
  O  O8  1  0.356  0.288  0.427  1.0
  O  O9  1  0.356  0.289  0.929  1.0
[/CIF]
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