The structure described by Co2O3 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), two equivalent O(1), and three equivalent O(3) atoms to form a mixture of edge and corner-sharing CoO6 octahedra. The corner-sharing octahedra are not tilted. In the second Co site, Co(2) is bonded in a 6-coordinate geometry to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Co(2) and four equivalent Co(1) atoms to form OCo6 octahedra that share corners with four equivalent O(3)Co5 square pyramids, edges with two equivalent O(1)Co6 octahedra, and edges with six equivalent O(3)Co5 square pyramids. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to one Co(1) and two equivalent Co(2) atoms. In the third O site, O(3) is bonded to two equivalent Co(2) and three equivalent Co(1) atoms to form OCo5 square pyramids that share corners with two equivalent O(1)Co6 octahedra, edges with three equivalent O(1)Co6 octahedra, and edges with four equivalent O(3)Co5 square pyramids. The corner-sharing octahedral tilt angles are 9°. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to two equivalent Co(2) atoms. is represented by the CIF file [CIF]
data_Co2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.151
_cell_length_b   5.151
_cell_length_c   15.216
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   145.922
_symmetry_Int_Tables_number   1
_cell_volume   226.186
_cell_formula_units_Z   4
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  0.638  0.362  0.048  1.0
  Co  Co1  1  0.362  0.638  0.952  1.0
  Co  Co2  1  0.638  0.362  0.452  1.0
  Co  Co3  1  0.362  0.638  0.548  1.0
  Co  Co4  1  0.092  0.908  0.640  1.0
  Co  Co5  1  0.908  0.092  0.360  1.0
  Co  Co6  1  0.908  0.092  0.140  1.0
  Co  Co7  1  0.092  0.908  0.860  1.0
  O  O8  1  0.000  0.000  0.500  1.0
  O  O9  1  0.000  0.000  0.000  1.0
  O  O10  1  0.464  0.536  0.853  1.0
  O  O11  1  0.536  0.464  0.147  1.0
  O  O12  1  0.536  0.464  0.353  1.0
  O  O13  1  0.464  0.536  0.647  1.0
  O  O14  1  0.720  0.280  0.927  1.0
  O  O15  1  0.280  0.720  0.073  1.0
  O  O16  1  0.280  0.720  0.427  1.0
  O  O17  1  0.720  0.280  0.573  1.0
  O  O18  1  0.160  0.840  0.750  1.0
  O  O19  1  0.840  0.160  0.250  1.0
[/CIF]
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The structure described by Co2O3 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), two equivalent O(1), and three equivalent O(3) atoms to form a mixture of edge and corner-sharing CoO6 octahedra. The corner-sharing octahedra are not tilted. In the second Co site, Co(2) is bonded in a 6-coordinate geometry to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Co(2) and four equivalent Co(1) atoms to form OCo6 octahedra that share corners with four equivalent O(3)Co5 square pyramids, edges with two equivalent O(1)Co6 octahedra, and edges with six equivalent O(3)Co5 square pyramids. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to one Co(1) and two equivalent Co(2) atoms. In the third O site, O(3) is bonded to two equivalent Co(2) and three equivalent Co(1) atoms to form OCo5 square pyramids that share corners with two equivalent O(1)Co6 octahedra, edges with three equivalent O(1)Co6 octahedra, and edges with four equivalent O(3)Co5 square pyramids. The corner-sharing octahedral tilt angles are 9°. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to two equivalent Co(2) atoms. is represented by the CIF file [CIF]
data_Co2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.151
_cell_length_b   5.151
_cell_length_c   15.216
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   145.922
_symmetry_Int_Tables_number   1
_cell_volume   226.186
_cell_formula_units_Z   4
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  0.638  0.362  0.048  1.0
  Co  Co1  1  0.362  0.638  0.952  1.0
  Co  Co2  1  0.638  0.362  0.452  1.0
  Co  Co3  1  0.362  0.638  0.548  1.0
  Co  Co4  1  0.092  0.908  0.640  1.0
  Co  Co5  1  0.908  0.092  0.360  1.0
  Co  Co6  1  0.908  0.092  0.140  1.0
  Co  Co7  1  0.092  0.908  0.860  1.0
  O  O8  1  0.000  0.000  0.500  1.0
  O  O9  1  0.000  0.000  0.000  1.0
  O  O10  1  0.464  0.536  0.853  1.0
  O  O11  1  0.536  0.464  0.147  1.0
  O  O12  1  0.536  0.464  0.353  1.0
  O  O13  1  0.464  0.536  0.647  1.0
  O  O14  1  0.720  0.280  0.927  1.0
  O  O15  1  0.280  0.720  0.073  1.0
  O  O16  1  0.280  0.720  0.427  1.0
  O  O17  1  0.720  0.280  0.573  1.0
  O  O18  1  0.160  0.840  0.750  1.0
  O  O19  1  0.840  0.160  0.250  1.0
[/CIF]
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