The structure described by MgCoO3 crystallizes in the monoclinic C2/c space group. Mg(1) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(2), and two equivalent O(3) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form edge-sharing CoO6 octahedra. 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 distorted edge-sharing CoO6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Co(2), and two equivalent Co(1) atoms to form distorted OMgCo3 trigonal pyramids that share corners with four equivalent O(2)Mg2Co2 tetrahedra, corners with three equivalent O(1)MgCo3 trigonal pyramids, edges with two equivalent O(2)Mg2Co2 tetrahedra, and edges with two equivalent O(1)MgCo3 trigonal pyramids. In the second O site, O(2) is bonded to two equivalent Mg(1), one Co(1), and one Co(2) atom to form distorted OMg2Co2 tetrahedra that share corners with two equivalent O(2)Mg2Co2 tetrahedra, corners with four equivalent O(1)MgCo3 trigonal pyramids,  an edgeedge with one O(2)Mg2Co2 tetrahedra, and edges with two equivalent O(1)MgCo3 trigonal pyramids. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Mg(1) and one Co(2) atom. is represented by the CIF file [CIF]
data_MgCoO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.383
_cell_length_b   6.383
_cell_length_c   4.962
_cell_angle_alpha   86.814
_cell_angle_beta   86.814
_cell_angle_gamma   83.426
_symmetry_Int_Tables_number   1
_cell_volume   200.255
_cell_formula_units_Z   4
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  0.606  0.826  0.224  1.0
  Mg  Mg1  1  0.826  0.606  0.724  1.0
  Mg  Mg2  1  0.174  0.394  0.276  1.0
  Mg  Mg3  1  0.394  0.174  0.776  1.0
  Co  Co4  1  0.082  0.918  0.250  1.0
  Co  Co5  1  0.734  0.266  0.250  1.0
  Co  Co6  1  0.266  0.734  0.750  1.0
  Co  Co7  1  0.918  0.082  0.750  1.0
  O  O8  1  0.813  0.980  0.430  1.0
  O  O9  1  0.980  0.813  0.930  1.0
  O  O10  1  0.337  0.885  0.040  1.0
  O  O11  1  0.529  0.728  0.608  1.0
  O  O12  1  0.885  0.337  0.540  1.0
  O  O13  1  0.728  0.529  0.108  1.0
  O  O14  1  0.272  0.471  0.892  1.0
  O  O15  1  0.115  0.663  0.460  1.0
  O  O16  1  0.471  0.272  0.392  1.0
  O  O17  1  0.663  0.115  0.960  1.0
  O  O18  1  0.020  0.187  0.070  1.0
  O  O19  1  0.187  0.020  0.570  1.0
[/CIF]
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The structure described by MgCoO3 crystallizes in the monoclinic C2/c space group. Mg(1) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(2), and two equivalent O(3) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form edge-sharing CoO6 octahedra. 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 distorted edge-sharing CoO6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Co(2), and two equivalent Co(1) atoms to form distorted OMgCo3 trigonal pyramids that share corners with four equivalent O(2)Mg2Co2 tetrahedra, corners with three equivalent O(1)MgCo3 trigonal pyramids, edges with two equivalent O(2)Mg2Co2 tetrahedra, and edges with two equivalent O(1)MgCo3 trigonal pyramids. In the second O site, O(2) is bonded to two equivalent Mg(1), one Co(1), and one Co(2) atom to form distorted OMg2Co2 tetrahedra that share corners with two equivalent O(2)Mg2Co2 tetrahedra, corners with four equivalent O(1)MgCo3 trigonal pyramids,  an edgeedge with one O(2)Mg2Co2 tetrahedra, and edges with two equivalent O(1)MgCo3 trigonal pyramids. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Mg(1) and one Co(2) atom. is represented by the CIF file [CIF]
data_MgCoO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.383
_cell_length_b   6.383
_cell_length_c   4.962
_cell_angle_alpha   86.814
_cell_angle_beta   86.814
_cell_angle_gamma   83.426
_symmetry_Int_Tables_number   1
_cell_volume   200.255
_cell_formula_units_Z   4
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  0.606  0.826  0.224  1.0
  Mg  Mg1  1  0.826  0.606  0.724  1.0
  Mg  Mg2  1  0.174  0.394  0.276  1.0
  Mg  Mg3  1  0.394  0.174  0.776  1.0
  Co  Co4  1  0.082  0.918  0.250  1.0
  Co  Co5  1  0.734  0.266  0.250  1.0
  Co  Co6  1  0.266  0.734  0.750  1.0
  Co  Co7  1  0.918  0.082  0.750  1.0
  O  O8  1  0.813  0.980  0.430  1.0
  O  O9  1  0.980  0.813  0.930  1.0
  O  O10  1  0.337  0.885  0.040  1.0
  O  O11  1  0.529  0.728  0.608  1.0
  O  O12  1  0.885  0.337  0.540  1.0
  O  O13  1  0.728  0.529  0.108  1.0
  O  O14  1  0.272  0.471  0.892  1.0
  O  O15  1  0.115  0.663  0.460  1.0
  O  O16  1  0.471  0.272  0.392  1.0
  O  O17  1  0.663  0.115  0.960  1.0
  O  O18  1  0.020  0.187  0.070  1.0
  O  O19  1  0.187  0.020  0.570  1.0
[/CIF]
.