The crystal structure described by Mg(CoO2)4 is beta indium sulfide-derived structured and crystallizes in the cubic F-43m space group. Mg(1) is bonded to four equivalent O(2) atoms to form MgO4 tetrahedra that share corners with twelve equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 60°. 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)O4 tetrahedra and edges with six equivalent Co(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(2) is bonded to one Mg(1) and three equivalent Co(1) atoms to form a mixture of distorted edge and corner-sharing OMgCo3 tetrahedra. In the second O site, O(1) is bonded in a distorted T-shaped geometry to three equivalent Co(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg(CoO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.821
_cell_length_b   5.821
_cell_length_c   5.821
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   139.434
_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  0.250  0.250  1.0
  Co  Co1  1  0.627  0.627  0.120  1.0
  Co  Co2  1  0.627  0.120  0.627  1.0
  Co  Co3  1  0.120  0.627  0.627  1.0
  Co  Co4  1  0.627  0.627  0.627  1.0
  O  O5  1  0.860  0.860  0.420  1.0
  O  O6  1  0.860  0.420  0.860  1.0
  O  O7  1  0.420  0.860  0.860  1.0
  O  O8  1  0.860  0.860  0.860  1.0
  O  O9  1  0.389  0.389  0.832  1.0
  O  O10  1  0.389  0.832  0.389  1.0
  O  O11  1  0.832  0.389  0.389  1.0
  O  O12  1  0.389  0.389  0.389  1.0
[/CIF]
.
The crystal structure described by Mg(CoO2)4 is beta indium sulfide-derived structured and crystallizes in the cubic F-43m space group. Mg(1) is bonded to four equivalent O(2) atoms to form MgO4 tetrahedra that share corners with twelve equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 60°. 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)O4 tetrahedra and edges with six equivalent Co(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(2) is bonded to one Mg(1) and three equivalent Co(1) atoms to form a mixture of distorted edge and corner-sharing OMgCo3 tetrahedra. In the second O site, O(1) is bonded in a distorted T-shaped geometry to three equivalent Co(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg(CoO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.821
_cell_length_b   5.821
_cell_length_c   5.821
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   139.434
_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  0.250  0.250  1.0
  Co  Co1  1  0.627  0.627  0.120  1.0
  Co  Co2  1  0.627  0.120  0.627  1.0
  Co  Co3  1  0.120  0.627  0.627  1.0
  Co  Co4  1  0.627  0.627  0.627  1.0
  O  O5  1  0.860  0.860  0.420  1.0
  O  O6  1  0.860  0.420  0.860  1.0
  O  O7  1  0.420  0.860  0.860  1.0
  O  O8  1  0.860  0.860  0.860  1.0
  O  O9  1  0.389  0.389  0.832  1.0
  O  O10  1  0.389  0.832  0.389  1.0
  O  O11  1  0.832  0.389  0.389  1.0
  O  O12  1  0.389  0.389  0.389  1.0
[/CIF]
.