The material structure described by Mg2Co3O8 is beta indium sulfide-derived structured and crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form distorted MgO6 pentagonal pyramids that share corners with three equivalent Co(1)O6 octahedra, corners with four equivalent Co(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Mg(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 16-56°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form CoO6 octahedra that share corners with six equivalent Mg(1)O6 pentagonal pyramids, edges with four equivalent Co(2)O6 octahedra, and edges with two equivalent Mg(1)O6 pentagonal pyramids. In the second Co site, Co(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share corners with four equivalent Mg(1)O6 pentagonal pyramids, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Mg(1)O6 pentagonal pyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mg(1) and two equivalent Co(2) atoms. 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. In the third O site, O(3) is bonded to two equivalent Mg(1), one Co(1), and one Co(2) atom to form a mixture of distorted edge and corner-sharing OMg2Co2 trigonal pyramids. is represented by the CIF file [CIF]
data_Mg2Co3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.738
_cell_length_b   5.738
_cell_length_c   4.750
_cell_angle_alpha   72.813
_cell_angle_beta   72.813
_cell_angle_gamma   58.351
_symmetry_Int_Tables_number   1
_cell_volume   125.252
_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  0.726  0.726  0.343  1.0
  Mg  Mg1  1  0.274  0.274  0.657  1.0
  Co  Co2  1  0.000  0.000  0.500  1.0
  Co  Co3  1  0.742  0.258  0.000  1.0
  Co  Co4  1  0.258  0.742  0.000  1.0
  O  O5  1  0.398  0.398  0.927  1.0
  O  O6  1  0.602  0.602  0.073  1.0
  O  O7  1  0.895  0.895  0.915  1.0
  O  O8  1  0.105  0.105  0.085  1.0
  O  O9  1  0.338  0.885  0.597  1.0
  O  O10  1  0.885  0.338  0.597  1.0
  O  O11  1  0.115  0.662  0.403  1.0
  O  O12  1  0.662  0.115  0.403  1.0
[/CIF]
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The material structure described by Mg2Co3O8 is beta indium sulfide-derived structured and crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form distorted MgO6 pentagonal pyramids that share corners with three equivalent Co(1)O6 octahedra, corners with four equivalent Co(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Mg(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 16-56°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form CoO6 octahedra that share corners with six equivalent Mg(1)O6 pentagonal pyramids, edges with four equivalent Co(2)O6 octahedra, and edges with two equivalent Mg(1)O6 pentagonal pyramids. In the second Co site, Co(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share corners with four equivalent Mg(1)O6 pentagonal pyramids, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Mg(1)O6 pentagonal pyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mg(1) and two equivalent Co(2) atoms. 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. In the third O site, O(3) is bonded to two equivalent Mg(1), one Co(1), and one Co(2) atom to form a mixture of distorted edge and corner-sharing OMg2Co2 trigonal pyramids. is represented by the CIF file [CIF]
data_Mg2Co3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.738
_cell_length_b   5.738
_cell_length_c   4.750
_cell_angle_alpha   72.813
_cell_angle_beta   72.813
_cell_angle_gamma   58.351
_symmetry_Int_Tables_number   1
_cell_volume   125.252
_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  0.726  0.726  0.343  1.0
  Mg  Mg1  1  0.274  0.274  0.657  1.0
  Co  Co2  1  0.000  0.000  0.500  1.0
  Co  Co3  1  0.742  0.258  0.000  1.0
  Co  Co4  1  0.258  0.742  0.000  1.0
  O  O5  1  0.398  0.398  0.927  1.0
  O  O6  1  0.602  0.602  0.073  1.0
  O  O7  1  0.895  0.895  0.915  1.0
  O  O8  1  0.105  0.105  0.085  1.0
  O  O9  1  0.338  0.885  0.597  1.0
  O  O10  1  0.885  0.338  0.597  1.0
  O  O11  1  0.115  0.662  0.403  1.0
  O  O12  1  0.662  0.115  0.403  1.0
[/CIF]
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