The compound described by Li2Cr(CoO3)2 crystallizes in the orthorhombic Cmce space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to four equivalent O(2) atoms. Cr(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CrO6 octahedra that share edges with six equivalent Co(1)O6 octahedra. Co(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CoO6 octahedra that share edges with three equivalent Cr(1)O6 octahedra and edges with three equivalent Co(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Cr(1) and two equivalent Co(1) atoms. In the second O site, O(2) is bonded to two equivalent Li(1), one Cr(1), and two equivalent Co(1) atoms to form a mixture of corner and edge-sharing OLi2CrCo2 trigonal bipyramids. is represented by the CIF card [CIF]
data_Li2Cr(CoO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.951
_cell_length_b   4.951
_cell_length_c   9.977
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.340
_symmetry_Int_Tables_number   1
_cell_volume   211.101
_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  0.664  0.164  0.250  1.0
  Li  Li1  1  0.836  0.336  0.750  1.0
  Li  Li2  1  0.164  0.664  0.250  1.0
  Li  Li3  1  0.336  0.836  0.750  1.0
  Cr  Cr4  1  0.500  0.500  0.500  1.0
  Cr  Cr5  1  0.000  0.000  0.000  1.0
  Co  Co6  1  0.834  0.166  0.500  1.0
  Co  Co7  1  0.334  0.666  0.000  1.0
  Co  Co8  1  0.666  0.334  0.000  1.0
  Co  Co9  1  0.166  0.834  0.500  1.0
  O  O10  1  0.669  0.669  0.097  1.0
  O  O11  1  0.831  0.831  0.597  1.0
  O  O12  1  0.169  0.169  0.403  1.0
  O  O13  1  0.496  0.839  0.396  1.0
  O  O14  1  0.331  0.331  0.903  1.0
  O  O15  1  0.661  0.004  0.896  1.0
  O  O16  1  0.996  0.339  0.104  1.0
  O  O17  1  0.161  0.504  0.604  1.0
  O  O18  1  0.504  0.161  0.604  1.0
  O  O19  1  0.839  0.496  0.396  1.0
  O  O20  1  0.004  0.661  0.896  1.0
  O  O21  1  0.339  0.996  0.104  1.0
[/CIF]
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The compound described by Li2Cr(CoO3)2 crystallizes in the orthorhombic Cmce space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to four equivalent O(2) atoms. Cr(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CrO6 octahedra that share edges with six equivalent Co(1)O6 octahedra. Co(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CoO6 octahedra that share edges with three equivalent Cr(1)O6 octahedra and edges with three equivalent Co(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Cr(1) and two equivalent Co(1) atoms. In the second O site, O(2) is bonded to two equivalent Li(1), one Cr(1), and two equivalent Co(1) atoms to form a mixture of corner and edge-sharing OLi2CrCo2 trigonal bipyramids. is represented by the CIF card [CIF]
data_Li2Cr(CoO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.951
_cell_length_b   4.951
_cell_length_c   9.977
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.340
_symmetry_Int_Tables_number   1
_cell_volume   211.101
_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  0.664  0.164  0.250  1.0
  Li  Li1  1  0.836  0.336  0.750  1.0
  Li  Li2  1  0.164  0.664  0.250  1.0
  Li  Li3  1  0.336  0.836  0.750  1.0
  Cr  Cr4  1  0.500  0.500  0.500  1.0
  Cr  Cr5  1  0.000  0.000  0.000  1.0
  Co  Co6  1  0.834  0.166  0.500  1.0
  Co  Co7  1  0.334  0.666  0.000  1.0
  Co  Co8  1  0.666  0.334  0.000  1.0
  Co  Co9  1  0.166  0.834  0.500  1.0
  O  O10  1  0.669  0.669  0.097  1.0
  O  O11  1  0.831  0.831  0.597  1.0
  O  O12  1  0.169  0.169  0.403  1.0
  O  O13  1  0.496  0.839  0.396  1.0
  O  O14  1  0.331  0.331  0.903  1.0
  O  O15  1  0.661  0.004  0.896  1.0
  O  O16  1  0.996  0.339  0.104  1.0
  O  O17  1  0.161  0.504  0.604  1.0
  O  O18  1  0.504  0.161  0.604  1.0
  O  O19  1  0.839  0.496  0.396  1.0
  O  O20  1  0.004  0.661  0.896  1.0
  O  O21  1  0.339  0.996  0.104  1.0
[/CIF]
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