The structure described by MgCo2O4 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MgO6 octahedra that share corners with six equivalent Co(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with six equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-15°. Co(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form CoO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra, and edges with six equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-15°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1) and three equivalent Co(1) atoms to form a mixture of corner and edge-sharing OMg2Co3 square pyramids. In the second O site, O(2) is bonded in a see-saw-like geometry to one Mg(1) and three equivalent Co(1) atoms. is represented by the CIF file [CIF]
data_Mg(CoO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.979
_cell_length_b   5.202
_cell_length_c   5.000
_cell_angle_alpha   101.977
_cell_angle_beta   90.000
_cell_angle_gamma   73.365
_symmetry_Int_Tables_number   1
_cell_volume   72.475
_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
  Mg  Mg0  1  0.250  0.500  0.250  1.0
  Co  Co1  1  0.005  0.989  0.992  1.0
  Co  Co2  1  0.495  0.011  0.508  1.0
  O  O3  1  0.884  0.232  0.346  1.0
  O  O4  1  0.399  0.201  0.883  1.0
  O  O5  1  0.101  0.799  0.617  1.0
  O  O6  1  0.616  0.768  0.154  1.0
[/CIF]
.
The structure described by MgCo2O4 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MgO6 octahedra that share corners with six equivalent Co(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with six equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-15°. Co(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form CoO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra, and edges with six equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-15°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1) and three equivalent Co(1) atoms to form a mixture of corner and edge-sharing OMg2Co3 square pyramids. In the second O site, O(2) is bonded in a see-saw-like geometry to one Mg(1) and three equivalent Co(1) atoms. is represented by the CIF file [CIF]
data_Mg(CoO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.979
_cell_length_b   5.202
_cell_length_c   5.000
_cell_angle_alpha   101.977
_cell_angle_beta   90.000
_cell_angle_gamma   73.365
_symmetry_Int_Tables_number   1
_cell_volume   72.475
_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
  Mg  Mg0  1  0.250  0.500  0.250  1.0
  Co  Co1  1  0.005  0.989  0.992  1.0
  Co  Co2  1  0.495  0.011  0.508  1.0
  O  O3  1  0.884  0.232  0.346  1.0
  O  O4  1  0.399  0.201  0.883  1.0
  O  O5  1  0.101  0.799  0.617  1.0
  O  O6  1  0.616  0.768  0.154  1.0
[/CIF]
.