The material structure described by Co2O3Cl crystallizes in the trigonal R-3m space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to six equivalent O(1) atoms to form edge-sharing CoO6 octahedra. In the second Co site, Co(2) is bonded to four equivalent O(1) and two equivalent Cl(1) atoms to form distorted CoCl2O4 octahedra that share edges with two equivalent Co(1)O6 octahedra and edges with four equivalent Co(2)Cl2O4 octahedra. O(1) is bonded in a trigonal non-coplanar geometry to one Co(1) and two equivalent Co(2) atoms. Cl(1) is bonded in a distorted T-shaped geometry to three equivalent Co(2) atoms. is represented by the CIF card [CIF]
data_Co2ClO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.752
_cell_length_b   5.752
_cell_length_c   5.752
_cell_angle_alpha   68.621
_cell_angle_beta   68.621
_cell_angle_gamma   68.621
_symmetry_Int_Tables_number   1
_cell_volume   159.031
_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
  Co  Co0  1  0.500  0.500  0.500  1.0
  Co  Co1  1  0.500  0.500  0.000  1.0
  Co  Co2  1  0.000  0.500  0.500  1.0
  Co  Co3  1  0.500  0.000  0.500  1.0
  Cl  Cl4  1  0.790  0.790  0.790  1.0
  Cl  Cl5  1  0.210  0.210  0.210  1.0
  O  O6  1  0.723  0.334  0.723  1.0
  O  O7  1  0.723  0.723  0.334  1.0
  O  O8  1  0.334  0.723  0.723  1.0
  O  O9  1  0.277  0.666  0.277  1.0
  O  O10  1  0.277  0.277  0.666  1.0
  O  O11  1  0.666  0.277  0.277  1.0
[/CIF]
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The material structure described by Co2O3Cl crystallizes in the trigonal R-3m space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to six equivalent O(1) atoms to form edge-sharing CoO6 octahedra. In the second Co site, Co(2) is bonded to four equivalent O(1) and two equivalent Cl(1) atoms to form distorted CoCl2O4 octahedra that share edges with two equivalent Co(1)O6 octahedra and edges with four equivalent Co(2)Cl2O4 octahedra. O(1) is bonded in a trigonal non-coplanar geometry to one Co(1) and two equivalent Co(2) atoms. Cl(1) is bonded in a distorted T-shaped geometry to three equivalent Co(2) atoms. is represented by the CIF card [CIF]
data_Co2ClO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.752
_cell_length_b   5.752
_cell_length_c   5.752
_cell_angle_alpha   68.621
_cell_angle_beta   68.621
_cell_angle_gamma   68.621
_symmetry_Int_Tables_number   1
_cell_volume   159.031
_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
  Co  Co0  1  0.500  0.500  0.500  1.0
  Co  Co1  1  0.500  0.500  0.000  1.0
  Co  Co2  1  0.000  0.500  0.500  1.0
  Co  Co3  1  0.500  0.000  0.500  1.0
  Cl  Cl4  1  0.790  0.790  0.790  1.0
  Cl  Cl5  1  0.210  0.210  0.210  1.0
  O  O6  1  0.723  0.334  0.723  1.0
  O  O7  1  0.723  0.723  0.334  1.0
  O  O8  1  0.334  0.723  0.723  1.0
  O  O9  1  0.277  0.666  0.277  1.0
  O  O10  1  0.277  0.277  0.666  1.0
  O  O11  1  0.666  0.277  0.277  1.0
[/CIF]
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