The compound described by K3Na(FeO4)2 crystallizes in the trigonal P-3m1 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to six equivalent O(2) atoms. In the second K site, K(2) is bonded in a 10-coordinate geometry to one O(1) and nine equivalent O(2) atoms. Na(1) is bonded to six equivalent O(2) atoms to form NaO6 octahedra that share corners with six equivalent Fe(1)O4 tetrahedra. Fe(1) is bonded to one O(1) and three equivalent O(2) atoms to form FeO4 tetrahedra that share corners with three equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles are 18°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one K(2) and one Fe(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one K(1), three equivalent K(2), one Na(1), and one Fe(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K3Na(FeO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.906
_cell_length_b   5.906
_cell_length_c   7.658
_cell_angle_alpha   90.001
_cell_angle_beta   89.998
_cell_angle_gamma   59.999
_symmetry_Int_Tables_number   1
_cell_volume   231.356
_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
  Fe  Fe0  1  0.667  0.667  0.274  1.0
  Fe  Fe1  1  0.333  0.333  0.726  1.0
  K  K2  1  1.000  0.000  0.500  1.0
  K  K3  1  0.333  0.333  0.165  1.0
  K  K4  1  0.667  0.667  0.835  1.0
  Na  Na5  1  1.000  1.000  1.000  1.0
  O  O6  1  0.333  0.333  0.512  1.0
  O  O7  1  0.667  0.667  0.488  1.0
  O  O8  1  0.638  0.181  0.804  1.0
  O  O9  1  0.181  0.181  0.804  1.0
  O  O10  1  0.181  0.638  0.804  1.0
  O  O11  1  0.362  0.819  0.196  1.0
  O  O12  1  0.819  0.362  0.196  1.0
  O  O13  1  0.819  0.819  0.196  1.0
[/CIF]
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The compound described by K3Na(FeO4)2 crystallizes in the trigonal P-3m1 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to six equivalent O(2) atoms. In the second K site, K(2) is bonded in a 10-coordinate geometry to one O(1) and nine equivalent O(2) atoms. Na(1) is bonded to six equivalent O(2) atoms to form NaO6 octahedra that share corners with six equivalent Fe(1)O4 tetrahedra. Fe(1) is bonded to one O(1) and three equivalent O(2) atoms to form FeO4 tetrahedra that share corners with three equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles are 18°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one K(2) and one Fe(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one K(1), three equivalent K(2), one Na(1), and one Fe(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K3Na(FeO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.906
_cell_length_b   5.906
_cell_length_c   7.658
_cell_angle_alpha   90.001
_cell_angle_beta   89.998
_cell_angle_gamma   59.999
_symmetry_Int_Tables_number   1
_cell_volume   231.356
_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
  Fe  Fe0  1  0.667  0.667  0.274  1.0
  Fe  Fe1  1  0.333  0.333  0.726  1.0
  K  K2  1  1.000  0.000  0.500  1.0
  K  K3  1  0.333  0.333  0.165  1.0
  K  K4  1  0.667  0.667  0.835  1.0
  Na  Na5  1  1.000  1.000  1.000  1.0
  O  O6  1  0.333  0.333  0.512  1.0
  O  O7  1  0.667  0.667  0.488  1.0
  O  O8  1  0.638  0.181  0.804  1.0
  O  O9  1  0.181  0.181  0.804  1.0
  O  O10  1  0.181  0.638  0.804  1.0
  O  O11  1  0.362  0.819  0.196  1.0
  O  O12  1  0.819  0.362  0.196  1.0
  O  O13  1  0.819  0.819  0.196  1.0
[/CIF]
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