The compound described by K3FeO4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to two equivalent O(1), two equivalent O(2), and three equivalent O(3) atoms. In the second K site, K(2) is bonded in a 7-coordinate geometry to one O(1), two equivalent O(2), and four equivalent O(3) atoms. Fe(1) is bonded in a tetrahedral geometry to one O(1), one O(2), and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to one K(2), four equivalent K(1), and one Fe(1) atom to form distorted edge-sharing OK5Fe octahedra. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent K(2), four equivalent K(1), and one Fe(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent K(2), three equivalent K(1), and one Fe(1) atom. is represented by the CIF file [CIF]
data_K3FeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.628
_cell_length_b   7.778
_cell_length_c   9.026
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   535.577
_cell_formula_units_Z   4
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  0.037  0.281  0.036  1.0
  K  K1  1  0.831  0.943  0.250  1.0
  K  K2  1  0.169  0.057  0.750  1.0
  K  K3  1  0.669  0.443  0.750  1.0
  K  K4  1  0.963  0.719  0.964  1.0
  K  K5  1  0.463  0.781  0.536  1.0
  K  K6  1  0.537  0.219  0.036  1.0
  K  K7  1  0.037  0.281  0.464  1.0
  K  K8  1  0.963  0.719  0.536  1.0
  K  K9  1  0.537  0.219  0.464  1.0
  K  K10  1  0.463  0.781  0.964  1.0
  K  K11  1  0.331  0.557  0.250  1.0
  Fe  Fe12  1  0.274  0.007  0.250  1.0
  Fe  Fe13  1  0.774  0.493  0.250  1.0
  Fe  Fe14  1  0.226  0.507  0.750  1.0
  Fe  Fe15  1  0.726  0.993  0.750  1.0
  O  O16  1  0.287  0.225  0.250  1.0
  O  O17  1  0.787  0.275  0.250  1.0
  O  O18  1  0.213  0.725  0.750  1.0
  O  O19  1  0.713  0.775  0.750  1.0
  O  O20  1  0.979  0.578  0.250  1.0
  O  O21  1  0.479  0.922  0.250  1.0
  O  O22  1  0.521  0.078  0.750  1.0
  O  O23  1  0.021  0.422  0.750  1.0
  O  O24  1  0.815  0.042  0.579  1.0
  O  O25  1  0.315  0.458  0.921  1.0
  O  O26  1  0.685  0.542  0.421  1.0
  O  O27  1  0.185  0.958  0.079  1.0
  O  O28  1  0.185  0.958  0.421  1.0
  O  O29  1  0.815  0.042  0.921  1.0
  O  O30  1  0.315  0.458  0.579  1.0
  O  O31  1  0.685  0.542  0.079  1.0
[/CIF]
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The compound described by K3FeO4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to two equivalent O(1), two equivalent O(2), and three equivalent O(3) atoms. In the second K site, K(2) is bonded in a 7-coordinate geometry to one O(1), two equivalent O(2), and four equivalent O(3) atoms. Fe(1) is bonded in a tetrahedral geometry to one O(1), one O(2), and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to one K(2), four equivalent K(1), and one Fe(1) atom to form distorted edge-sharing OK5Fe octahedra. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent K(2), four equivalent K(1), and one Fe(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent K(2), three equivalent K(1), and one Fe(1) atom. is represented by the CIF file [CIF]
data_K3FeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.628
_cell_length_b   7.778
_cell_length_c   9.026
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   535.577
_cell_formula_units_Z   4
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  0.037  0.281  0.036  1.0
  K  K1  1  0.831  0.943  0.250  1.0
  K  K2  1  0.169  0.057  0.750  1.0
  K  K3  1  0.669  0.443  0.750  1.0
  K  K4  1  0.963  0.719  0.964  1.0
  K  K5  1  0.463  0.781  0.536  1.0
  K  K6  1  0.537  0.219  0.036  1.0
  K  K7  1  0.037  0.281  0.464  1.0
  K  K8  1  0.963  0.719  0.536  1.0
  K  K9  1  0.537  0.219  0.464  1.0
  K  K10  1  0.463  0.781  0.964  1.0
  K  K11  1  0.331  0.557  0.250  1.0
  Fe  Fe12  1  0.274  0.007  0.250  1.0
  Fe  Fe13  1  0.774  0.493  0.250  1.0
  Fe  Fe14  1  0.226  0.507  0.750  1.0
  Fe  Fe15  1  0.726  0.993  0.750  1.0
  O  O16  1  0.287  0.225  0.250  1.0
  O  O17  1  0.787  0.275  0.250  1.0
  O  O18  1  0.213  0.725  0.750  1.0
  O  O19  1  0.713  0.775  0.750  1.0
  O  O20  1  0.979  0.578  0.250  1.0
  O  O21  1  0.479  0.922  0.250  1.0
  O  O22  1  0.521  0.078  0.750  1.0
  O  O23  1  0.021  0.422  0.750  1.0
  O  O24  1  0.815  0.042  0.579  1.0
  O  O25  1  0.315  0.458  0.921  1.0
  O  O26  1  0.685  0.542  0.421  1.0
  O  O27  1  0.185  0.958  0.079  1.0
  O  O28  1  0.185  0.958  0.421  1.0
  O  O29  1  0.815  0.042  0.921  1.0
  O  O30  1  0.315  0.458  0.579  1.0
  O  O31  1  0.685  0.542  0.079  1.0
[/CIF]
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