The crystal structure described by K2Mg(CoO2)2 crystallizes in the tetragonal P-4m2 space group. K(1) is bonded in a 16-coordinate geometry to two equivalent Mg(1), five equivalent Co(1), two equivalent O(1), two equivalent O(2), and five equivalent O(3) atoms. Mg(1) is bonded to four equivalent K(1) and four equivalent O(3) atoms to form distorted edge-sharing MgK4O4 tetrahedra. Co(1) is bonded in a 5-coordinate geometry to five equivalent K(1), one O(3), two equivalent O(1), and two equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 8-coordinate geometry to four equivalent K(1) and four equivalent Co(1) atoms. In the second O site, O(2) is bonded in a 8-coordinate geometry to four equivalent K(1) and four equivalent Co(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to five equivalent K(1), two equivalent Mg(1), and one Co(1) atom. is represented by the CIF file [CIF]
data_K2Mg(CoO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.890
_cell_length_b   3.890
_cell_length_c   7.886
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   119.353
_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
  K  K0  1  0.750  0.750  0.255  1.0
  K  K1  1  0.250  0.250  0.745  1.0
  Mg  Mg2  1  0.250  0.750  0.500  1.0
  Co  Co3  1  0.750  0.750  0.897  1.0
  Co  Co4  1  0.250  0.250  0.103  1.0
  O  O5  1  0.250  0.750  0.000  1.0
  O  O6  1  0.750  0.250  0.000  1.0
  O  O7  1  0.750  0.750  0.630  1.0
  O  O8  1  0.250  0.250  0.370  1.0
[/CIF]
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The crystal structure described by K2Mg(CoO2)2 crystallizes in the tetragonal P-4m2 space group. K(1) is bonded in a 16-coordinate geometry to two equivalent Mg(1), five equivalent Co(1), two equivalent O(1), two equivalent O(2), and five equivalent O(3) atoms. Mg(1) is bonded to four equivalent K(1) and four equivalent O(3) atoms to form distorted edge-sharing MgK4O4 tetrahedra. Co(1) is bonded in a 5-coordinate geometry to five equivalent K(1), one O(3), two equivalent O(1), and two equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 8-coordinate geometry to four equivalent K(1) and four equivalent Co(1) atoms. In the second O site, O(2) is bonded in a 8-coordinate geometry to four equivalent K(1) and four equivalent Co(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to five equivalent K(1), two equivalent Mg(1), and one Co(1) atom. is represented by the CIF file [CIF]
data_K2Mg(CoO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.890
_cell_length_b   3.890
_cell_length_c   7.886
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   119.353
_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
  K  K0  1  0.750  0.750  0.255  1.0
  K  K1  1  0.250  0.250  0.745  1.0
  Mg  Mg2  1  0.250  0.750  0.500  1.0
  Co  Co3  1  0.750  0.750  0.897  1.0
  Co  Co4  1  0.250  0.250  0.103  1.0
  O  O5  1  0.250  0.750  0.000  1.0
  O  O6  1  0.750  0.250  0.000  1.0
  O  O7  1  0.750  0.750  0.630  1.0
  O  O8  1  0.250  0.250  0.370  1.0
[/CIF]
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