The structure described by Cs2K4Fe2O5 crystallizes in the monoclinic C2/m space group. Cs(1) is bonded in a 5-coordinate geometry to one O(1) and four equivalent O(2) atoms. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 5-coordinate geometry to one O(1) and four equivalent O(2) atoms. In the second K site, K(2) is bonded to four equivalent O(2) atoms to form distorted edge-sharing KO4 tetrahedra. Fe(1) is bonded in a 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 a distorted octahedral geometry to two equivalent Cs(1), two equivalent K(1), and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded in a 7-coordinate geometry to two equivalent Cs(1), two equivalent K(1), two equivalent K(2), and one Fe(1) atom. is represented by the CIF file [CIF]
data_Cs2K4Fe2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.621
_cell_length_b   6.963
_cell_length_c   6.621
_cell_angle_alpha   90.573
_cell_angle_beta   115.549
_cell_angle_gamma   90.573
_symmetry_Int_Tables_number   1
_cell_volume   275.369
_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
  Cs  Cs0  1  0.672  0.801  0.672  1.0
  Cs  Cs1  1  0.328  0.199  0.328  1.0
  K  K2  1  0.240  0.500  0.760  1.0
  K  K3  1  0.760  0.500  0.240  1.0
  K  K4  1  0.781  0.000  0.219  1.0
  K  K5  1  0.219  0.000  0.781  1.0
  Fe  Fe6  1  0.198  0.693  0.198  1.0
  Fe  Fe7  1  0.802  0.307  0.802  1.0
  O  O8  1  0.000  0.500  0.000  1.0
  O  O9  1  0.142  0.770  0.435  1.0
  O  O10  1  0.565  0.230  0.858  1.0
  O  O11  1  0.858  0.230  0.565  1.0
  O  O12  1  0.435  0.770  0.142  1.0
[/CIF]
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The structure described by Cs2K4Fe2O5 crystallizes in the monoclinic C2/m space group. Cs(1) is bonded in a 5-coordinate geometry to one O(1) and four equivalent O(2) atoms. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 5-coordinate geometry to one O(1) and four equivalent O(2) atoms. In the second K site, K(2) is bonded to four equivalent O(2) atoms to form distorted edge-sharing KO4 tetrahedra. Fe(1) is bonded in a 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 a distorted octahedral geometry to two equivalent Cs(1), two equivalent K(1), and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded in a 7-coordinate geometry to two equivalent Cs(1), two equivalent K(1), two equivalent K(2), and one Fe(1) atom. is represented by the CIF file [CIF]
data_Cs2K4Fe2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.621
_cell_length_b   6.963
_cell_length_c   6.621
_cell_angle_alpha   90.573
_cell_angle_beta   115.549
_cell_angle_gamma   90.573
_symmetry_Int_Tables_number   1
_cell_volume   275.369
_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
  Cs  Cs0  1  0.672  0.801  0.672  1.0
  Cs  Cs1  1  0.328  0.199  0.328  1.0
  K  K2  1  0.240  0.500  0.760  1.0
  K  K3  1  0.760  0.500  0.240  1.0
  K  K4  1  0.781  0.000  0.219  1.0
  K  K5  1  0.219  0.000  0.781  1.0
  Fe  Fe6  1  0.198  0.693  0.198  1.0
  Fe  Fe7  1  0.802  0.307  0.802  1.0
  O  O8  1  0.000  0.500  0.000  1.0
  O  O9  1  0.142  0.770  0.435  1.0
  O  O10  1  0.565  0.230  0.858  1.0
  O  O11  1  0.858  0.230  0.565  1.0
  O  O12  1  0.435  0.770  0.142  1.0
[/CIF]
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