The compound described by MgCo2O4 is Spinel-like structured and crystallizes in the orthorhombic Imma 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)O4 tetrahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with four equivalent Co(2)O6 octahedra. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form CoO4 tetrahedra that share corners with six equivalent Mg(1)O6 octahedra and corners with six equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-59°. In the second Co site, Co(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CoO6 octahedra that share corners with six equivalent Co(1)O4 tetrahedra, edges with two equivalent Co(2)O6 octahedra, and edges with four equivalent Mg(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to two equivalent Mg(1), one Co(1), and one Co(2) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Co(1), and two equivalent Co(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg(CoO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.954
_cell_length_b   5.954
_cell_length_c   5.954
_cell_angle_alpha   120.543
_cell_angle_beta   119.973
_cell_angle_gamma   89.554
_symmetry_Int_Tables_number   1
_cell_volume   148.662
_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
  Mg  Mg0  1  0.000  0.500  0.500  1.0
  Mg  Mg1  1  0.500  0.500  0.000  1.0
  Co  Co2  1  0.131  0.881  0.250  1.0
  Co  Co3  1  0.869  0.119  0.750  1.0
  Co  Co4  1  0.500  0.000  0.000  1.0
  Co  Co5  1  0.500  0.500  0.500  1.0
  O  O6  1  0.735  0.241  0.006  1.0
  O  O7  1  0.742  0.252  0.490  1.0
  O  O8  1  0.735  0.729  0.494  1.0
  O  O9  1  0.262  0.252  0.010  1.0
  O  O10  1  0.738  0.748  0.990  1.0
  O  O11  1  0.258  0.748  0.510  1.0
  O  O12  1  0.265  0.271  0.506  1.0
  O  O13  1  0.265  0.759  0.994  1.0
[/CIF]
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The compound described by MgCo2O4 is Spinel-like structured and crystallizes in the orthorhombic Imma 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)O4 tetrahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with four equivalent Co(2)O6 octahedra. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form CoO4 tetrahedra that share corners with six equivalent Mg(1)O6 octahedra and corners with six equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-59°. In the second Co site, Co(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CoO6 octahedra that share corners with six equivalent Co(1)O4 tetrahedra, edges with two equivalent Co(2)O6 octahedra, and edges with four equivalent Mg(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to two equivalent Mg(1), one Co(1), and one Co(2) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Co(1), and two equivalent Co(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg(CoO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.954
_cell_length_b   5.954
_cell_length_c   5.954
_cell_angle_alpha   120.543
_cell_angle_beta   119.973
_cell_angle_gamma   89.554
_symmetry_Int_Tables_number   1
_cell_volume   148.662
_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
  Mg  Mg0  1  0.000  0.500  0.500  1.0
  Mg  Mg1  1  0.500  0.500  0.000  1.0
  Co  Co2  1  0.131  0.881  0.250  1.0
  Co  Co3  1  0.869  0.119  0.750  1.0
  Co  Co4  1  0.500  0.000  0.000  1.0
  Co  Co5  1  0.500  0.500  0.500  1.0
  O  O6  1  0.735  0.241  0.006  1.0
  O  O7  1  0.742  0.252  0.490  1.0
  O  O8  1  0.735  0.729  0.494  1.0
  O  O9  1  0.262  0.252  0.010  1.0
  O  O10  1  0.738  0.748  0.990  1.0
  O  O11  1  0.258  0.748  0.510  1.0
  O  O12  1  0.265  0.271  0.506  1.0
  O  O13  1  0.265  0.759  0.994  1.0
[/CIF]
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