The structure described by K2NaFeO3 crystallizes in the orthorhombic Cmme space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. In the second K site, K(2) is bonded in a 6-coordinate geometry to two equivalent O(1) and four equivalent O(2) atoms. Na(1) is bonded to four equivalent O(2) atoms to form distorted NaO4 tetrahedra that share corners with four equivalent Fe(1)O4 tetrahedra and edges with two equivalent Na(1)O4 tetrahedra. Fe(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form FeO4 tetrahedra that share corners with two equivalent Fe(1)O4 tetrahedra and corners with four equivalent Na(1)O4 tetrahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent K(1), two equivalent K(2), and two equivalent Fe(1) atoms to form a mixture of corner and edge-sharing OK4Fe2 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded in a 6-coordinate geometry to one K(1), two equivalent K(2), two equivalent Na(1), and one Fe(1) atom. is represented by the CIF file [CIF]
data_K2NaFeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.347
_cell_length_b   6.405
_cell_length_c   6.747
_cell_angle_alpha   90.001
_cell_angle_beta   90.001
_cell_angle_gamma   60.301
_symmetry_Int_Tables_number   1
_cell_volume   238.236
_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
  Fe  Fe0  1  0.750  0.000  0.166  1.0
  Fe  Fe1  1  0.250  1.000  0.834  1.0
  K  K2  1  0.750  1.000  0.658  1.0
  K  K3  1  0.250  0.000  0.342  1.0
  K  K4  1  0.750  0.500  0.000  1.0
  K  K5  1  0.250  0.500  0.000  1.0
  Na  Na6  1  0.250  0.500  0.500  1.0
  Na  Na7  1  0.750  0.500  0.500  1.0
  O  O8  1  0.500  1.000  0.000  1.0
  O  O9  1  0.000  0.000  0.000  1.0
  O  O10  1  0.393  0.714  0.686  1.0
  O  O11  1  0.107  0.286  0.686  1.0
  O  O12  1  0.607  0.286  0.314  1.0
  O  O13  1  0.893  0.714  0.314  1.0
[/CIF]
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The structure described by K2NaFeO3 crystallizes in the orthorhombic Cmme space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. In the second K site, K(2) is bonded in a 6-coordinate geometry to two equivalent O(1) and four equivalent O(2) atoms. Na(1) is bonded to four equivalent O(2) atoms to form distorted NaO4 tetrahedra that share corners with four equivalent Fe(1)O4 tetrahedra and edges with two equivalent Na(1)O4 tetrahedra. Fe(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form FeO4 tetrahedra that share corners with two equivalent Fe(1)O4 tetrahedra and corners with four equivalent Na(1)O4 tetrahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent K(1), two equivalent K(2), and two equivalent Fe(1) atoms to form a mixture of corner and edge-sharing OK4Fe2 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded in a 6-coordinate geometry to one K(1), two equivalent K(2), two equivalent Na(1), and one Fe(1) atom. is represented by the CIF file [CIF]
data_K2NaFeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.347
_cell_length_b   6.405
_cell_length_c   6.747
_cell_angle_alpha   90.001
_cell_angle_beta   90.001
_cell_angle_gamma   60.301
_symmetry_Int_Tables_number   1
_cell_volume   238.236
_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
  Fe  Fe0  1  0.750  0.000  0.166  1.0
  Fe  Fe1  1  0.250  1.000  0.834  1.0
  K  K2  1  0.750  1.000  0.658  1.0
  K  K3  1  0.250  0.000  0.342  1.0
  K  K4  1  0.750  0.500  0.000  1.0
  K  K5  1  0.250  0.500  0.000  1.0
  Na  Na6  1  0.250  0.500  0.500  1.0
  Na  Na7  1  0.750  0.500  0.500  1.0
  O  O8  1  0.500  1.000  0.000  1.0
  O  O9  1  0.000  0.000  0.000  1.0
  O  O10  1  0.393  0.714  0.686  1.0
  O  O11  1  0.107  0.286  0.686  1.0
  O  O12  1  0.607  0.286  0.314  1.0
  O  O13  1  0.893  0.714  0.314  1.0
[/CIF]
.