The structure described by MgCoO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. Mg(1) is bonded to six equivalent O(1) atoms to form distorted MgO6 pentagonal pyramids that share corners with nine equivalent Co(1)O6 octahedra, edges with three equivalent Mg(1)O6 pentagonal pyramids, and  a faceface with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-61°. Co(1) is bonded to six equivalent O(1) atoms to form CoO6 octahedra that share corners with nine equivalent Mg(1)O6 pentagonal pyramids, edges with three equivalent Co(1)O6 octahedra, and  a faceface with one Mg(1)O6 pentagonal pyramid. O(1) is bonded in a distorted see-saw-like geometry to two equivalent Mg(1) and two equivalent Co(1) atoms. is represented by the CIF file [CIF]
data_MgCoO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.356
_cell_length_b   5.356
_cell_length_c   5.356
_cell_angle_alpha   54.751
_cell_angle_beta   54.751
_cell_angle_gamma   54.751
_symmetry_Int_Tables_number   1
_cell_volume   95.380
_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  0.640  0.640  0.640  1.0
  Mg  Mg1  1  0.360  0.360  0.360  1.0
  Co  Co2  1  0.840  0.840  0.840  1.0
  Co  Co3  1  0.160  0.160  0.160  1.0
  O  O4  1  0.560  0.957  0.213  1.0
  O  O5  1  0.213  0.560  0.957  1.0
  O  O6  1  0.957  0.213  0.560  1.0
  O  O7  1  0.043  0.787  0.440  1.0
  O  O8  1  0.787  0.440  0.043  1.0
  O  O9  1  0.440  0.043  0.787  1.0
[/CIF]
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The structure described by MgCoO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. Mg(1) is bonded to six equivalent O(1) atoms to form distorted MgO6 pentagonal pyramids that share corners with nine equivalent Co(1)O6 octahedra, edges with three equivalent Mg(1)O6 pentagonal pyramids, and  a faceface with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-61°. Co(1) is bonded to six equivalent O(1) atoms to form CoO6 octahedra that share corners with nine equivalent Mg(1)O6 pentagonal pyramids, edges with three equivalent Co(1)O6 octahedra, and  a faceface with one Mg(1)O6 pentagonal pyramid. O(1) is bonded in a distorted see-saw-like geometry to two equivalent Mg(1) and two equivalent Co(1) atoms. is represented by the CIF file [CIF]
data_MgCoO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.356
_cell_length_b   5.356
_cell_length_c   5.356
_cell_angle_alpha   54.751
_cell_angle_beta   54.751
_cell_angle_gamma   54.751
_symmetry_Int_Tables_number   1
_cell_volume   95.380
_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  0.640  0.640  0.640  1.0
  Mg  Mg1  1  0.360  0.360  0.360  1.0
  Co  Co2  1  0.840  0.840  0.840  1.0
  Co  Co3  1  0.160  0.160  0.160  1.0
  O  O4  1  0.560  0.957  0.213  1.0
  O  O5  1  0.213  0.560  0.957  1.0
  O  O6  1  0.957  0.213  0.560  1.0
  O  O7  1  0.043  0.787  0.440  1.0
  O  O8  1  0.787  0.440  0.043  1.0
  O  O9  1  0.440  0.043  0.787  1.0
[/CIF]
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