The material described by Mg(CoO2)4 crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form MgO6 octahedra that share corners with six equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-12°. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form CoO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-12°. In the second Co site, Co(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form CoO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. In the third Co site, Co(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. In the fourth Co site, Co(4) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form CoO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Co(1), one Co(2), and one Co(3) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Co(2), one Co(3), and one Co(4) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Co(1), one Co(3), and one Co(4) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Co(1), one Co(2), and one Co(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg(CoO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.801
_cell_length_b   5.779
_cell_length_c   5.755
_cell_angle_alpha   119.859
_cell_angle_beta   119.493
_cell_angle_gamma   91.338
_symmetry_Int_Tables_number   1
_cell_volume   136.109
_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  0.000  0.000  0.000  1.0
  Co  Co1  1  0.500  0.500  0.000  1.0
  Co  Co2  1  0.000  0.000  0.500  1.0
  Co  Co3  1  0.000  0.500  0.000  1.0
  Co  Co4  1  0.000  0.500  0.500  1.0
  O  O5  1  0.780  0.738  0.028  1.0
  O  O6  1  0.197  0.734  0.464  1.0
  O  O7  1  0.220  0.262  0.972  1.0
  O  O8  1  0.218  0.719  0.968  1.0
  O  O9  1  0.803  0.266  0.536  1.0
  O  O10  1  0.219  0.261  0.506  1.0
  O  O11  1  0.782  0.281  0.032  1.0
  O  O12  1  0.781  0.739  0.494  1.0
[/CIF]
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The material described by Mg(CoO2)4 crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form MgO6 octahedra that share corners with six equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-12°. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form CoO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-12°. In the second Co site, Co(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form CoO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. In the third Co site, Co(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. In the fourth Co site, Co(4) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form CoO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Co(1), one Co(2), and one Co(3) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Co(2), one Co(3), and one Co(4) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Co(1), one Co(3), and one Co(4) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Co(1), one Co(2), and one Co(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg(CoO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.801
_cell_length_b   5.779
_cell_length_c   5.755
_cell_angle_alpha   119.859
_cell_angle_beta   119.493
_cell_angle_gamma   91.338
_symmetry_Int_Tables_number   1
_cell_volume   136.109
_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  0.000  0.000  0.000  1.0
  Co  Co1  1  0.500  0.500  0.000  1.0
  Co  Co2  1  0.000  0.000  0.500  1.0
  Co  Co3  1  0.000  0.500  0.000  1.0
  Co  Co4  1  0.000  0.500  0.500  1.0
  O  O5  1  0.780  0.738  0.028  1.0
  O  O6  1  0.197  0.734  0.464  1.0
  O  O7  1  0.220  0.262  0.972  1.0
  O  O8  1  0.218  0.719  0.968  1.0
  O  O9  1  0.803  0.266  0.536  1.0
  O  O10  1  0.219  0.261  0.506  1.0
  O  O11  1  0.782  0.281  0.032  1.0
  O  O12  1  0.781  0.739  0.494  1.0
[/CIF]
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