The material structure described by K2Na4Co2O5 crystallizes in the tetragonal P4_2/mnm space group. K(1) is bonded in a 1-coordinate geometry to one O(1) and four equivalent O(2) atoms. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to four equivalent O(2) atoms to form distorted corner-sharing NaO4 trigonal pyramids. In the second Na site, Na(2) is bonded in a 5-coordinate geometry to one O(1) and four equivalent O(2) atoms. Co(1) is bonded in a distorted trigonal planar geometry to one O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in an octahedral geometry to two equivalent K(1), two equivalent Na(2), and two equivalent Co(1) atoms. In the second O site, O(2) is bonded in a 7-coordinate geometry to two equivalent K(1), two equivalent Na(1), two equivalent Na(2), and one Co(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2Na4Co2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.385
_cell_length_b   6.385
_cell_length_c   10.483
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   427.308
_cell_formula_units_Z   2
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  0.196  0.804  0.500  1.0
  K  K1  1  0.804  0.196  0.500  1.0
  K  K2  1  0.304  0.304  0.000  1.0
  K  K3  1  0.696  0.696  0.000  1.0
  Na  Na4  1  0.000  0.500  0.750  1.0
  Na  Na5  1  0.500  0.000  0.750  1.0
  Na  Na6  1  0.000  0.500  0.250  1.0
  Na  Na7  1  0.500  0.500  0.280  1.0
  Na  Na8  1  0.500  0.500  0.720  1.0
  Na  Na9  1  0.500  0.000  0.250  1.0
  Na  Na10  1  0.000  0.000  0.780  1.0
  Na  Na11  1  0.000  0.000  0.220  1.0
  Co  Co12  1  0.214  0.786  0.000  1.0
  Co  Co13  1  0.714  0.714  0.500  1.0
  Co  Co14  1  0.786  0.214  0.000  1.0
  Co  Co15  1  0.286  0.286  0.500  1.0
  O  O16  1  0.500  0.500  0.500  1.0
  O  O17  1  0.213  0.213  0.339  1.0
  O  O18  1  0.787  0.787  0.661  1.0
  O  O19  1  0.213  0.213  0.661  1.0
  O  O20  1  0.713  0.287  0.161  1.0
  O  O21  1  0.287  0.713  0.839  1.0
  O  O22  1  0.713  0.287  0.839  1.0
  O  O23  1  0.287  0.713  0.161  1.0
  O  O24  1  0.787  0.787  0.339  1.0
  O  O25  1  0.000  0.000  0.000  1.0
[/CIF]
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The material structure described by K2Na4Co2O5 crystallizes in the tetragonal P4_2/mnm space group. K(1) is bonded in a 1-coordinate geometry to one O(1) and four equivalent O(2) atoms. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to four equivalent O(2) atoms to form distorted corner-sharing NaO4 trigonal pyramids. In the second Na site, Na(2) is bonded in a 5-coordinate geometry to one O(1) and four equivalent O(2) atoms. Co(1) is bonded in a distorted trigonal planar geometry to one O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in an octahedral geometry to two equivalent K(1), two equivalent Na(2), and two equivalent Co(1) atoms. In the second O site, O(2) is bonded in a 7-coordinate geometry to two equivalent K(1), two equivalent Na(1), two equivalent Na(2), and one Co(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2Na4Co2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.385
_cell_length_b   6.385
_cell_length_c   10.483
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   427.308
_cell_formula_units_Z   2
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  0.196  0.804  0.500  1.0
  K  K1  1  0.804  0.196  0.500  1.0
  K  K2  1  0.304  0.304  0.000  1.0
  K  K3  1  0.696  0.696  0.000  1.0
  Na  Na4  1  0.000  0.500  0.750  1.0
  Na  Na5  1  0.500  0.000  0.750  1.0
  Na  Na6  1  0.000  0.500  0.250  1.0
  Na  Na7  1  0.500  0.500  0.280  1.0
  Na  Na8  1  0.500  0.500  0.720  1.0
  Na  Na9  1  0.500  0.000  0.250  1.0
  Na  Na10  1  0.000  0.000  0.780  1.0
  Na  Na11  1  0.000  0.000  0.220  1.0
  Co  Co12  1  0.214  0.786  0.000  1.0
  Co  Co13  1  0.714  0.714  0.500  1.0
  Co  Co14  1  0.786  0.214  0.000  1.0
  Co  Co15  1  0.286  0.286  0.500  1.0
  O  O16  1  0.500  0.500  0.500  1.0
  O  O17  1  0.213  0.213  0.339  1.0
  O  O18  1  0.787  0.787  0.661  1.0
  O  O19  1  0.213  0.213  0.661  1.0
  O  O20  1  0.713  0.287  0.161  1.0
  O  O21  1  0.287  0.713  0.839  1.0
  O  O22  1  0.713  0.287  0.839  1.0
  O  O23  1  0.287  0.713  0.161  1.0
  O  O24  1  0.787  0.787  0.339  1.0
  O  O25  1  0.000  0.000  0.000  1.0
[/CIF]
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