The material structure described by K4Na2Mg(FeO3)2 crystallizes in the monoclinic C2/m space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 2-coordinate geometry to one O(2) and one O(3) atom. In the second K site, K(2) is bonded in a distorted linear geometry to one O(2) and one O(3) atom. Na(1) is bonded to four equivalent O(1) atoms to form distorted NaO4 trigonal pyramids that share corners with four equivalent Fe(1)O4 tetrahedra and edges with two equivalent Na(1)O4 trigonal pyramids. Mg(1) is bonded in a distorted square co-planar geometry to four equivalent O(1) atoms. Fe(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form FeO4 tetrahedra that share corners with two equivalent Fe(1)O4 tetrahedra and corners with four equivalent Na(1)O4 trigonal pyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Mg(1), and one Fe(1) atom. In the second O site, O(2) is bonded to two equivalent K(1), two equivalent K(2), and two equivalent Fe(1) atoms to form a mixture of edge and corner-sharing OK4Fe2 octahedra. The corner-sharing octahedra are not tilted. In the third O site, O(3) is bonded to two equivalent K(1), two equivalent K(2), and two equivalent Fe(1) atoms to form a mixture of distorted edge and corner-sharing OK4Fe2 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_K4Na2Mg(FeO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.480
_cell_length_b   6.505
_cell_length_c   7.338
_cell_angle_alpha   94.349
_cell_angle_beta   81.243
_cell_angle_gamma   119.873
_symmetry_Int_Tables_number   1
_cell_volume   265.092
_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
  K  K0  1  0.358  0.000  0.697  1.0
  K  K1  1  0.642  0.000  0.303  1.0
  K  K2  1  0.751  0.502  0.000  1.0
  K  K3  1  0.249  0.498  0.000  1.0
  Na  Na4  1  0.263  0.525  0.500  1.0
  Na  Na5  1  0.737  0.475  0.500  1.0
  Mg  Mg6  1  0.000  0.000  0.500  1.0
  Fe  Fe7  1  0.225  0.000  0.153  1.0
  Fe  Fe8  1  0.775  0.000  0.847  1.0
  O  O9  1  0.905  0.246  0.632  1.0
  O  O10  1  0.500  0.000  0.000  1.0
  O  O11  1  0.660  0.754  0.632  1.0
  O  O12  1  0.095  0.754  0.368  1.0
  O  O13  1  0.000  0.000  0.000  1.0
  O  O14  1  0.340  0.246  0.368  1.0
[/CIF]
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The material structure described by K4Na2Mg(FeO3)2 crystallizes in the monoclinic C2/m space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 2-coordinate geometry to one O(2) and one O(3) atom. In the second K site, K(2) is bonded in a distorted linear geometry to one O(2) and one O(3) atom. Na(1) is bonded to four equivalent O(1) atoms to form distorted NaO4 trigonal pyramids that share corners with four equivalent Fe(1)O4 tetrahedra and edges with two equivalent Na(1)O4 trigonal pyramids. Mg(1) is bonded in a distorted square co-planar geometry to four equivalent O(1) atoms. Fe(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form FeO4 tetrahedra that share corners with two equivalent Fe(1)O4 tetrahedra and corners with four equivalent Na(1)O4 trigonal pyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Mg(1), and one Fe(1) atom. In the second O site, O(2) is bonded to two equivalent K(1), two equivalent K(2), and two equivalent Fe(1) atoms to form a mixture of edge and corner-sharing OK4Fe2 octahedra. The corner-sharing octahedra are not tilted. In the third O site, O(3) is bonded to two equivalent K(1), two equivalent K(2), and two equivalent Fe(1) atoms to form a mixture of distorted edge and corner-sharing OK4Fe2 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_K4Na2Mg(FeO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.480
_cell_length_b   6.505
_cell_length_c   7.338
_cell_angle_alpha   94.349
_cell_angle_beta   81.243
_cell_angle_gamma   119.873
_symmetry_Int_Tables_number   1
_cell_volume   265.092
_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
  K  K0  1  0.358  0.000  0.697  1.0
  K  K1  1  0.642  0.000  0.303  1.0
  K  K2  1  0.751  0.502  0.000  1.0
  K  K3  1  0.249  0.498  0.000  1.0
  Na  Na4  1  0.263  0.525  0.500  1.0
  Na  Na5  1  0.737  0.475  0.500  1.0
  Mg  Mg6  1  0.000  0.000  0.500  1.0
  Fe  Fe7  1  0.225  0.000  0.153  1.0
  Fe  Fe8  1  0.775  0.000  0.847  1.0
  O  O9  1  0.905  0.246  0.632  1.0
  O  O10  1  0.500  0.000  0.000  1.0
  O  O11  1  0.660  0.754  0.632  1.0
  O  O12  1  0.095  0.754  0.368  1.0
  O  O13  1  0.000  0.000  0.000  1.0
  O  O14  1  0.340  0.246  0.368  1.0
[/CIF]
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