The compound described by K2Mg(CoO2)2 crystallizes in the monoclinic Cm space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(3), and two equivalent O(4) atoms. In the second K site, K(2) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. Mg(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a trigonal planar geometry to one O(1) and two equivalent O(3) atoms. In the second Co site, Co(2) is bonded to one O(1), one O(4), and two equivalent O(2) atoms to form distorted corner-sharing CoO4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded to one K(1), two equivalent K(2), one Co(1), and one Co(2) atom to form distorted OK3Co2 trigonal bipyramids that share corners with two equivalent O(1)K3Co2 trigonal bipyramids and corners with three equivalent O(4)K2Mg2Co trigonal bipyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent K(2), one Mg(1), and two equivalent Co(2) atoms. In the third O site, O(3) is bonded in a 5-coordinate geometry to one K(1), two equivalent Mg(1), and two equivalent Co(1) atoms. In the fourth O site, O(4) is bonded to two equivalent K(1), two equivalent Mg(1), and one Co(2) atom to form distorted OK2Mg2Co trigonal bipyramids that share corners with three equivalent O(1)K3Co2 trigonal bipyramids and edges with two equivalent O(4)K2Mg2Co trigonal bipyramids. is represented by the CIF card [CIF]
data_K2Mg(CoO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.685
_cell_length_b   6.685
_cell_length_c   9.988
_cell_angle_alpha   44.922
_cell_angle_beta   135.078
_cell_angle_gamma   152.654
_symmetry_Int_Tables_number   1
_cell_volume   140.395
_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  0.242  0.758  0.905  1.0
  K  K1  1  0.878  0.122  0.396  1.0
  Mg  Mg2  1  0.206  0.794  0.536  1.0
  Co  Co3  1  0.074  0.926  0.167  1.0
  Co  Co4  1  0.952  0.048  0.806  1.0
  O  O5  1  0.154  0.846  0.077  1.0
  O  O6  1  0.417  0.583  0.654  1.0
  O  O7  1  0.568  0.432  0.281  1.0
  O  O8  1  0.738  0.262  0.686  1.0
[/CIF]
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The compound described by K2Mg(CoO2)2 crystallizes in the monoclinic Cm space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(3), and two equivalent O(4) atoms. In the second K site, K(2) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. Mg(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a trigonal planar geometry to one O(1) and two equivalent O(3) atoms. In the second Co site, Co(2) is bonded to one O(1), one O(4), and two equivalent O(2) atoms to form distorted corner-sharing CoO4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded to one K(1), two equivalent K(2), one Co(1), and one Co(2) atom to form distorted OK3Co2 trigonal bipyramids that share corners with two equivalent O(1)K3Co2 trigonal bipyramids and corners with three equivalent O(4)K2Mg2Co trigonal bipyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent K(2), one Mg(1), and two equivalent Co(2) atoms. In the third O site, O(3) is bonded in a 5-coordinate geometry to one K(1), two equivalent Mg(1), and two equivalent Co(1) atoms. In the fourth O site, O(4) is bonded to two equivalent K(1), two equivalent Mg(1), and one Co(2) atom to form distorted OK2Mg2Co trigonal bipyramids that share corners with three equivalent O(1)K3Co2 trigonal bipyramids and edges with two equivalent O(4)K2Mg2Co trigonal bipyramids. is represented by the CIF card [CIF]
data_K2Mg(CoO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.685
_cell_length_b   6.685
_cell_length_c   9.988
_cell_angle_alpha   44.922
_cell_angle_beta   135.078
_cell_angle_gamma   152.654
_symmetry_Int_Tables_number   1
_cell_volume   140.395
_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  0.242  0.758  0.905  1.0
  K  K1  1  0.878  0.122  0.396  1.0
  Mg  Mg2  1  0.206  0.794  0.536  1.0
  Co  Co3  1  0.074  0.926  0.167  1.0
  Co  Co4  1  0.952  0.048  0.806  1.0
  O  O5  1  0.154  0.846  0.077  1.0
  O  O6  1  0.417  0.583  0.654  1.0
  O  O7  1  0.568  0.432  0.281  1.0
  O  O8  1  0.738  0.262  0.686  1.0
[/CIF]
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