The material described by Li2CrO2 crystallizes in the monoclinic P2_1/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 corner and edge-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 corner and edge-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 in a 6-coordinate geometry to one Li(2), three equivalent Li(1), and two equivalent Cr(1) atoms. 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 distorted edge-sharing OLi4Cr2 pentagonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2CrO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.963
_cell_length_b   3.478
_cell_length_c   5.490
_cell_angle_alpha   79.398
_cell_angle_beta   90.001
_cell_angle_gamma   64.784
_symmetry_Int_Tables_number   1
_cell_volume   50.114
_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
  Cr  Cr0  1  1.000  1.000  0.000  1.0
  Li  Li1  1  0.327  0.345  0.369  1.0
  Li  Li2  1  0.673  0.655  0.631  1.0
  O  O3  1  0.388  0.224  0.741  1.0
  O  O4  1  0.612  0.776  0.259  1.0
[/CIF]
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The material described by Li2CrO2 crystallizes in the monoclinic P2_1/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 corner and edge-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 corner and edge-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 in a 6-coordinate geometry to one Li(2), three equivalent Li(1), and two equivalent Cr(1) atoms. 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 distorted edge-sharing OLi4Cr2 pentagonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2CrO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.963
_cell_length_b   3.478
_cell_length_c   5.490
_cell_angle_alpha   79.398
_cell_angle_beta   90.001
_cell_angle_gamma   64.784
_symmetry_Int_Tables_number   1
_cell_volume   50.114
_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
  Cr  Cr0  1  1.000  1.000  0.000  1.0
  Li  Li1  1  0.327  0.345  0.369  1.0
  Li  Li2  1  0.673  0.655  0.631  1.0
  O  O3  1  0.388  0.224  0.741  1.0
  O  O4  1  0.612  0.776  0.259  1.0
[/CIF]
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