The compound described by Co3O4 is Hausmannite structured and crystallizes in the cubic Fd-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 CoO6 octahedra that share corners with six equivalent Co(2)O4 tetrahedra and edges with six equivalent Co(1)O6 octahedra. In the second Co site, Co(2) is bonded to four equivalent O(1) atoms to form corner-sharing CoO4 tetrahedra. The corner-sharing octahedral tilt angles are 59°. O(1) is bonded to one Co(2) and three equivalent Co(1) atoms to form a mixture of distorted edge and corner-sharing OCo4 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Co3O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.689
_cell_length_b   5.689
_cell_length_c   5.689
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   130.214
_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  1.000  0.500  1.0
  Co  Co1  1  1.000  0.500  0.500  1.0
  Co  Co2  1  0.500  0.500  0.000  1.0
  Co  Co3  1  0.500  0.500  0.500  1.0
  Co  Co4  1  0.125  0.125  0.125  1.0
  Co  Co5  1  0.875  0.875  0.875  1.0
  O  O6  1  0.737  0.737  0.737  1.0
  O  O7  1  0.263  0.263  0.711  1.0
  O  O8  1  0.263  0.711  0.263  1.0
  O  O9  1  0.711  0.263  0.263  1.0
  O  O10  1  0.737  0.289  0.737  1.0
  O  O11  1  0.289  0.737  0.737  1.0
  O  O12  1  0.263  0.263  0.263  1.0
  O  O13  1  0.737  0.737  0.289  1.0
[/CIF]
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The compound described by Co3O4 is Hausmannite structured and crystallizes in the cubic Fd-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 CoO6 octahedra that share corners with six equivalent Co(2)O4 tetrahedra and edges with six equivalent Co(1)O6 octahedra. In the second Co site, Co(2) is bonded to four equivalent O(1) atoms to form corner-sharing CoO4 tetrahedra. The corner-sharing octahedral tilt angles are 59°. O(1) is bonded to one Co(2) and three equivalent Co(1) atoms to form a mixture of distorted edge and corner-sharing OCo4 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Co3O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.689
_cell_length_b   5.689
_cell_length_c   5.689
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   130.214
_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  1.000  0.500  1.0
  Co  Co1  1  1.000  0.500  0.500  1.0
  Co  Co2  1  0.500  0.500  0.000  1.0
  Co  Co3  1  0.500  0.500  0.500  1.0
  Co  Co4  1  0.125  0.125  0.125  1.0
  Co  Co5  1  0.875  0.875  0.875  1.0
  O  O6  1  0.737  0.737  0.737  1.0
  O  O7  1  0.263  0.263  0.711  1.0
  O  O8  1  0.263  0.711  0.263  1.0
  O  O9  1  0.711  0.263  0.263  1.0
  O  O10  1  0.737  0.289  0.737  1.0
  O  O11  1  0.289  0.737  0.737  1.0
  O  O12  1  0.263  0.263  0.263  1.0
  O  O13  1  0.737  0.737  0.289  1.0
[/CIF]
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