The material described by K2Mg(CoO2)2 crystallizes in the tetragonal P4mm space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one Mg(1), one O(2), and four equivalent O(3) atoms. In the second K site, K(2) is bonded in a rectangular see-saw-like geometry to four equivalent O(2) atoms. Mg(1) is bonded in a 4-coordinate geometry to one K(1) and four equivalent O(1) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 1-coordinate geometry to one O(2) and four equivalent O(1) atoms. In the second Co site, Co(2) is bonded in a 5-coordinate geometry to one O(3) and four equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted hexagonal planar geometry to two equivalent Mg(1), two equivalent Co(1), and two equivalent Co(2) atoms. In the second O site, O(2) is bonded to one K(1), four equivalent K(2), and one Co(1) atom to form a mixture of edge and corner-sharing OK5Co octahedra. The corner-sharing octahedral tilt angles are 2°. In the third O site, O(3) is bonded in a distorted single-bond geometry to four equivalent K(1) and one Co(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2Mg(CoO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.784
_cell_length_b   3.784
_cell_length_c   9.804
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   140.376
_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  0.413  1.0
  K  K1  1  0.250  0.250  0.677  1.0
  Mg  Mg2  1  0.750  0.750  0.112  1.0
  Co  Co3  1  0.750  0.750  0.867  1.0
  Co  Co4  1  0.250  0.250  0.087  1.0
  O  O5  1  0.250  0.750  0.005  1.0
  O  O6  1  0.750  0.250  0.005  1.0
  O  O7  1  0.750  0.750  0.682  1.0
  O  O8  1  0.250  0.250  0.282  1.0
[/CIF]
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The material described by K2Mg(CoO2)2 crystallizes in the tetragonal P4mm space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one Mg(1), one O(2), and four equivalent O(3) atoms. In the second K site, K(2) is bonded in a rectangular see-saw-like geometry to four equivalent O(2) atoms. Mg(1) is bonded in a 4-coordinate geometry to one K(1) and four equivalent O(1) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 1-coordinate geometry to one O(2) and four equivalent O(1) atoms. In the second Co site, Co(2) is bonded in a 5-coordinate geometry to one O(3) and four equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted hexagonal planar geometry to two equivalent Mg(1), two equivalent Co(1), and two equivalent Co(2) atoms. In the second O site, O(2) is bonded to one K(1), four equivalent K(2), and one Co(1) atom to form a mixture of edge and corner-sharing OK5Co octahedra. The corner-sharing octahedral tilt angles are 2°. In the third O site, O(3) is bonded in a distorted single-bond geometry to four equivalent K(1) and one Co(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2Mg(CoO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.784
_cell_length_b   3.784
_cell_length_c   9.804
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   140.376
_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  0.413  1.0
  K  K1  1  0.250  0.250  0.677  1.0
  Mg  Mg2  1  0.750  0.750  0.112  1.0
  Co  Co3  1  0.750  0.750  0.867  1.0
  Co  Co4  1  0.250  0.250  0.087  1.0
  O  O5  1  0.250  0.750  0.005  1.0
  O  O6  1  0.750  0.250  0.005  1.0
  O  O7  1  0.750  0.750  0.682  1.0
  O  O8  1  0.250  0.250  0.282  1.0
[/CIF]
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