The material structure described by MgCoO2 is Caswellsilverite-like structured and crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. Co(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form edge-sharing CoO6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Mg(1) and three equivalent Co(1) atoms to form a mixture of edge, face, and corner-sharing OMg3Co3 octahedra. In the second O site, O(2) is bonded to three equivalent Mg(1) and three equivalent Co(1) atoms to form a mixture of distorted edge, face, and corner-sharing OMg3Co3 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 0-47°. is represented by the CIF file [CIF]
data_MgCoO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.970
_cell_length_b   2.970
_cell_length_c   5.495
_cell_angle_alpha   73.771
_cell_angle_beta   73.771
_cell_angle_gamma   60.147
_symmetry_Int_Tables_number   1
_cell_volume   39.778
_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  0.167  0.167  0.491  1.0
  Co  Co1  1  0.001  0.001  0.999  1.0
  O  O2  1  0.586  0.586  0.248  1.0
  O  O3  1  0.414  0.414  0.750  1.0
[/CIF]
.
The material structure described by MgCoO2 is Caswellsilverite-like structured and crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. Co(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form edge-sharing CoO6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Mg(1) and three equivalent Co(1) atoms to form a mixture of edge, face, and corner-sharing OMg3Co3 octahedra. In the second O site, O(2) is bonded to three equivalent Mg(1) and three equivalent Co(1) atoms to form a mixture of distorted edge, face, and corner-sharing OMg3Co3 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 0-47°. is represented by the CIF file [CIF]
data_MgCoO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.970
_cell_length_b   2.970
_cell_length_c   5.495
_cell_angle_alpha   73.771
_cell_angle_beta   73.771
_cell_angle_gamma   60.147
_symmetry_Int_Tables_number   1
_cell_volume   39.778
_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  0.167  0.167  0.491  1.0
  Co  Co1  1  0.001  0.001  0.999  1.0
  O  O2  1  0.586  0.586  0.248  1.0
  O  O3  1  0.414  0.414  0.750  1.0
[/CIF]
.