The compound described by Mg(CoO2)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(8) atom to form MgO6 octahedra that share corners with six equivalent Co(2)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. The corner-sharing octahedral tilt angles range from 9-16°. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(3), one O(4), one O(6), one O(7), and one O(8) atom to form CoO6 octahedra that share edges with two 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. In the second Co site, Co(2) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(8) atom to form CoO6 octahedra that share corners with six 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. The corner-sharing octahedral tilt angles range from 9-16°. In the third Co site, Co(3) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom 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 one O(2), one O(4), one O(5), one O(6), one O(7), and one O(8) atom 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 eight inequivalent O sites. In the first O site, O(1) is bonded in a 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 rectangular see-saw-like geometry to one Mg(1), one Co(2), one Co(3), and one Co(4) atom. In the third O site, O(3) is bonded in a see-saw-like geometry to one Mg(1), one Co(1), one Co(2), and one Co(3) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Co(1), one Co(3), and one Co(4) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Co(2), one Co(3), and one Co(4) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Co(1), one Co(2), and one Co(4) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Co(1), one Co(3), and one Co(4) atom. In the eighth O site, O(8) 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 CIF file [CIF]
data_Mg(CoO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.946
_cell_length_b   5.821
_cell_length_c   5.740
_cell_angle_alpha   118.634
_cell_angle_beta   118.593
_cell_angle_gamma   93.727
_symmetry_Int_Tables_number   1
_cell_volume   141.500
_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  0.472  0.494  0.521  1.0
  Co  Co1  1  0.472  0.491  0.020  1.0
  Co  Co2  1  0.973  0.991  0.520  1.0
  Co  Co3  1  0.971  0.490  0.019  1.0
  Co  Co4  1  0.971  0.490  0.518  1.0
  O  O5  1  0.739  0.696  0.019  1.0
  O  O6  1  0.189  0.714  0.485  1.0
  O  O7  1  0.205  0.285  0.021  1.0
  O  O8  1  0.176  0.696  0.962  1.0
  O  O9  1  0.753  0.267  0.553  1.0
  O  O10  1  0.229  0.257  0.561  1.0
  O  O11  1  0.766  0.283  0.075  1.0
  O  O12  1  0.715  0.725  0.478  1.0
[/CIF]
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The compound described by Mg(CoO2)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(8) atom to form MgO6 octahedra that share corners with six equivalent Co(2)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. The corner-sharing octahedral tilt angles range from 9-16°. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(3), one O(4), one O(6), one O(7), and one O(8) atom to form CoO6 octahedra that share edges with two 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. In the second Co site, Co(2) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(8) atom to form CoO6 octahedra that share corners with six 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. The corner-sharing octahedral tilt angles range from 9-16°. In the third Co site, Co(3) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom 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 one O(2), one O(4), one O(5), one O(6), one O(7), and one O(8) atom 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 eight inequivalent O sites. In the first O site, O(1) is bonded in a 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 rectangular see-saw-like geometry to one Mg(1), one Co(2), one Co(3), and one Co(4) atom. In the third O site, O(3) is bonded in a see-saw-like geometry to one Mg(1), one Co(1), one Co(2), and one Co(3) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Co(1), one Co(3), and one Co(4) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Co(2), one Co(3), and one Co(4) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Co(1), one Co(2), and one Co(4) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Co(1), one Co(3), and one Co(4) atom. In the eighth O site, O(8) 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 CIF file [CIF]
data_Mg(CoO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.946
_cell_length_b   5.821
_cell_length_c   5.740
_cell_angle_alpha   118.634
_cell_angle_beta   118.593
_cell_angle_gamma   93.727
_symmetry_Int_Tables_number   1
_cell_volume   141.500
_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  0.472  0.494  0.521  1.0
  Co  Co1  1  0.472  0.491  0.020  1.0
  Co  Co2  1  0.973  0.991  0.520  1.0
  Co  Co3  1  0.971  0.490  0.019  1.0
  Co  Co4  1  0.971  0.490  0.518  1.0
  O  O5  1  0.739  0.696  0.019  1.0
  O  O6  1  0.189  0.714  0.485  1.0
  O  O7  1  0.205  0.285  0.021  1.0
  O  O8  1  0.176  0.696  0.962  1.0
  O  O9  1  0.753  0.267  0.553  1.0
  O  O10  1  0.229  0.257  0.561  1.0
  O  O11  1  0.766  0.283  0.075  1.0
  O  O12  1  0.715  0.725  0.478  1.0
[/CIF]
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