The compound described by Mg(CoO2)4 is beta indium sulfide-derived structured and crystallizes in the monoclinic C2 space group. Mg(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form MgO4 tetrahedra that share corners with six equivalent Co(1)O6 octahedra and corners with six equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-62°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form CoO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, edges with two equivalent Co(1)O6 octahedra, and edges with four equivalent Co(2)O6 octahedra. In the second Co site, Co(2) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form CoO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, edges with two equivalent Co(2)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Co(2), and two equivalent Co(1) atoms. In the second O site, O(2) is bonded to one Mg(1), one Co(1), and two equivalent Co(2) atoms to form a mixture of distorted edge and corner-sharing OMgCo3 tetrahedra. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Co(2) and two equivalent Co(1) atoms. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Co(1) and two equivalent Co(2) atoms. is represented by the CIF file [CIF]
data_Mg(CoO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.785
_cell_length_b   5.874
_cell_length_c   5.791
_cell_angle_alpha   118.579
_cell_angle_beta   118.050
_cell_angle_gamma   93.302
_symmetry_Int_Tables_number   1
_cell_volume   142.005
_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  0.589  0.839  0.678  1.0
  Co  Co1  1  0.464  0.468  0.938  1.0
  Co  Co2  1  0.980  0.975  0.438  1.0
  Co  Co3  1  0.974  0.470  0.938  1.0
  Co  Co4  1  0.957  0.462  0.438  1.0
  O  O5  1  0.735  0.694  0.951  1.0
  O  O6  1  0.177  0.694  0.396  1.0
  O  O7  1  0.209  0.259  0.931  1.0
  O  O8  1  0.222  0.672  0.931  1.0
  O  O9  1  0.765  0.244  0.495  1.0
  O  O10  1  0.230  0.251  0.495  1.0
  O  O11  1  0.716  0.257  0.951  1.0
  O  O12  1  0.719  0.702  0.397  1.0
[/CIF]
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The compound described by Mg(CoO2)4 is beta indium sulfide-derived structured and crystallizes in the monoclinic C2 space group. Mg(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form MgO4 tetrahedra that share corners with six equivalent Co(1)O6 octahedra and corners with six equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-62°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form CoO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, edges with two equivalent Co(1)O6 octahedra, and edges with four equivalent Co(2)O6 octahedra. In the second Co site, Co(2) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form CoO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, edges with two equivalent Co(2)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Co(2), and two equivalent Co(1) atoms. In the second O site, O(2) is bonded to one Mg(1), one Co(1), and two equivalent Co(2) atoms to form a mixture of distorted edge and corner-sharing OMgCo3 tetrahedra. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Co(2) and two equivalent Co(1) atoms. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Co(1) and two equivalent Co(2) atoms. is represented by the CIF file [CIF]
data_Mg(CoO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.785
_cell_length_b   5.874
_cell_length_c   5.791
_cell_angle_alpha   118.579
_cell_angle_beta   118.050
_cell_angle_gamma   93.302
_symmetry_Int_Tables_number   1
_cell_volume   142.005
_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  0.589  0.839  0.678  1.0
  Co  Co1  1  0.464  0.468  0.938  1.0
  Co  Co2  1  0.980  0.975  0.438  1.0
  Co  Co3  1  0.974  0.470  0.938  1.0
  Co  Co4  1  0.957  0.462  0.438  1.0
  O  O5  1  0.735  0.694  0.951  1.0
  O  O6  1  0.177  0.694  0.396  1.0
  O  O7  1  0.209  0.259  0.931  1.0
  O  O8  1  0.222  0.672  0.931  1.0
  O  O9  1  0.765  0.244  0.495  1.0
  O  O10  1  0.230  0.251  0.495  1.0
  O  O11  1  0.716  0.257  0.951  1.0
  O  O12  1  0.719  0.702  0.397  1.0
[/CIF]
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