The crystal structure described by K3FeO3 crystallizes in the monoclinic C2/m space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 5-coordinate geometry to one O(2) and four equivalent O(1) atoms. In the second K site, K(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted KO6 octahedra that share corners with four equivalent Fe(1)O4 tetrahedra, edges with three equivalent K(2)O6 octahedra, and edges with two equivalent Fe(1)O4 tetrahedra. In the third K site, K(3) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. Fe(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form FeO4 tetrahedra that share corners with four equivalent K(2)O6 octahedra, edges with two equivalent K(2)O6 octahedra, and  an edgeedge with one Fe(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 10-44°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 7-coordinate geometry to two equivalent K(1), two equivalent K(2), two equivalent K(3), and one Fe(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one K(1), two equivalent K(2), and two equivalent Fe(1) atoms. is represented by the CIF file [CIF]
data_K3FeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.575
_cell_length_b   6.575
_cell_length_c   6.469
_cell_angle_alpha   83.680
_cell_angle_beta   83.680
_cell_angle_gamma   114.032
_symmetry_Int_Tables_number   1
_cell_volume   250.146
_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  0.626  0.626  0.647  1.0
  K  K1  1  0.187  0.813  0.500  1.0
  K  K2  1  0.813  0.187  0.500  1.0
  K  K3  1  0.257  0.743  0.000  1.0
  K  K4  1  0.374  0.374  0.353  1.0
  K  K5  1  0.743  0.257  0.000  1.0
  Fe  Fe6  1  0.827  0.827  0.145  1.0
  Fe  Fe7  1  0.173  0.173  0.855  1.0
  O  O8  1  0.842  0.567  0.267  1.0
  O  O9  1  0.904  0.904  0.836  1.0
  O  O10  1  0.096  0.096  0.164  1.0
  O  O11  1  0.158  0.433  0.733  1.0
  O  O12  1  0.433  0.158  0.733  1.0
  O  O13  1  0.567  0.842  0.267  1.0
[/CIF]
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The crystal structure described by K3FeO3 crystallizes in the monoclinic C2/m space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 5-coordinate geometry to one O(2) and four equivalent O(1) atoms. In the second K site, K(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted KO6 octahedra that share corners with four equivalent Fe(1)O4 tetrahedra, edges with three equivalent K(2)O6 octahedra, and edges with two equivalent Fe(1)O4 tetrahedra. In the third K site, K(3) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. Fe(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form FeO4 tetrahedra that share corners with four equivalent K(2)O6 octahedra, edges with two equivalent K(2)O6 octahedra, and  an edgeedge with one Fe(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 10-44°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 7-coordinate geometry to two equivalent K(1), two equivalent K(2), two equivalent K(3), and one Fe(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one K(1), two equivalent K(2), and two equivalent Fe(1) atoms. is represented by the CIF file [CIF]
data_K3FeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.575
_cell_length_b   6.575
_cell_length_c   6.469
_cell_angle_alpha   83.680
_cell_angle_beta   83.680
_cell_angle_gamma   114.032
_symmetry_Int_Tables_number   1
_cell_volume   250.146
_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  0.626  0.626  0.647  1.0
  K  K1  1  0.187  0.813  0.500  1.0
  K  K2  1  0.813  0.187  0.500  1.0
  K  K3  1  0.257  0.743  0.000  1.0
  K  K4  1  0.374  0.374  0.353  1.0
  K  K5  1  0.743  0.257  0.000  1.0
  Fe  Fe6  1  0.827  0.827  0.145  1.0
  Fe  Fe7  1  0.173  0.173  0.855  1.0
  O  O8  1  0.842  0.567  0.267  1.0
  O  O9  1  0.904  0.904  0.836  1.0
  O  O10  1  0.096  0.096  0.164  1.0
  O  O11  1  0.158  0.433  0.733  1.0
  O  O12  1  0.433  0.158  0.733  1.0
  O  O13  1  0.567  0.842  0.267  1.0
[/CIF]
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