The material structure described by K2MgFe4O7 crystallizes in the monoclinic Cm space group. K(1) is bonded in a distorted trigonal planar geometry to three equivalent O(3) atoms. Mg(1) is bonded to one O(1), one O(2), two equivalent O(4), and two equivalent O(5) atoms to form MgO6 octahedra that share edges with six equivalent Fe(3)O6 octahedra. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(3), and two equivalent O(4) atoms. In the second Fe site, Fe(2) is bonded in a distorted rectangular see-saw-like geometry to one O(2), one O(3), and two equivalent O(5) atoms. In the third Fe site, Fe(3) is bonded to one O(1), one O(2), two equivalent O(4), and two equivalent O(5) atoms to form FeO6 octahedra that share edges with three equivalent Mg(1)O6 octahedra and edges with three equivalent Fe(3)O6 octahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Fe(1), and two equivalent Fe(3) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Fe(2), and two equivalent Fe(3) atoms. In the third O site, O(3) is bonded in a distorted linear geometry to six equivalent K(1), one Fe(1), and one Fe(2) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Fe(1), and two equivalent Fe(3) atoms. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Fe(2), and two equivalent Fe(3) atoms. is represented by the CIF file [CIF]
data_K2MgFe4O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.232
_cell_length_b   5.246
_cell_length_c   8.378
_cell_angle_alpha   90.227
_cell_angle_beta   89.886
_cell_angle_gamma   120.088
_symmetry_Int_Tables_number   1
_cell_volume   198.974
_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  0.336  0.667  0.000  1.0
  K  K1  1  0.664  0.331  0.000  1.0
  Mg  Mg2  1  0.000  0.001  0.500  1.0
  Fe  Fe3  1  1.000  0.969  0.224  1.0
  Fe  Fe4  1  0.000  0.029  0.776  1.0
  Fe  Fe5  1  0.339  0.669  0.500  1.0
  Fe  Fe6  1  0.661  0.330  0.500  1.0
  O  O7  1  0.000  0.664  0.362  1.0
  O  O8  1  0.000  0.336  0.638  1.0
  O  O9  1  0.000  0.005  0.000  1.0
  O  O10  1  0.332  0.330  0.362  1.0
  O  O11  1  0.668  0.670  0.637  1.0
  O  O12  1  0.332  0.001  0.637  1.0
  O  O13  1  0.668  0.998  0.362  1.0
[/CIF]
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The material structure described by K2MgFe4O7 crystallizes in the monoclinic Cm space group. K(1) is bonded in a distorted trigonal planar geometry to three equivalent O(3) atoms. Mg(1) is bonded to one O(1), one O(2), two equivalent O(4), and two equivalent O(5) atoms to form MgO6 octahedra that share edges with six equivalent Fe(3)O6 octahedra. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(3), and two equivalent O(4) atoms. In the second Fe site, Fe(2) is bonded in a distorted rectangular see-saw-like geometry to one O(2), one O(3), and two equivalent O(5) atoms. In the third Fe site, Fe(3) is bonded to one O(1), one O(2), two equivalent O(4), and two equivalent O(5) atoms to form FeO6 octahedra that share edges with three equivalent Mg(1)O6 octahedra and edges with three equivalent Fe(3)O6 octahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Fe(1), and two equivalent Fe(3) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Fe(2), and two equivalent Fe(3) atoms. In the third O site, O(3) is bonded in a distorted linear geometry to six equivalent K(1), one Fe(1), and one Fe(2) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Fe(1), and two equivalent Fe(3) atoms. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Fe(2), and two equivalent Fe(3) atoms. is represented by the CIF file [CIF]
data_K2MgFe4O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.232
_cell_length_b   5.246
_cell_length_c   8.378
_cell_angle_alpha   90.227
_cell_angle_beta   89.886
_cell_angle_gamma   120.088
_symmetry_Int_Tables_number   1
_cell_volume   198.974
_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  0.336  0.667  0.000  1.0
  K  K1  1  0.664  0.331  0.000  1.0
  Mg  Mg2  1  0.000  0.001  0.500  1.0
  Fe  Fe3  1  1.000  0.969  0.224  1.0
  Fe  Fe4  1  0.000  0.029  0.776  1.0
  Fe  Fe5  1  0.339  0.669  0.500  1.0
  Fe  Fe6  1  0.661  0.330  0.500  1.0
  O  O7  1  0.000  0.664  0.362  1.0
  O  O8  1  0.000  0.336  0.638  1.0
  O  O9  1  0.000  0.005  0.000  1.0
  O  O10  1  0.332  0.330  0.362  1.0
  O  O11  1  0.668  0.670  0.637  1.0
  O  O12  1  0.332  0.001  0.637  1.0
  O  O13  1  0.668  0.998  0.362  1.0
[/CIF]
.