The material structure described by MgMn4(FeO4)2 crystallizes in the tetragonal I-4m2 space group. Mg(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. Mn(1) is bonded in a 5-coordinate geometry to two equivalent O(1) and three equivalent O(2) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a tetrahedral geometry to four equivalent O(2) atoms. In the second Fe site, Fe(2) is bonded in a tetrahedral geometry to four equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), two equivalent Mn(1), and one Fe(2) atom to form a mixture of distorted corner and face-sharing OMgMn2Fe tetrahedra. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Mn(1) and one Fe(1) atom. is represented by the CIF file [CIF]
data_MgMn4(FeO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.825
_cell_length_b   6.825
_cell_length_c   6.824
_cell_angle_alpha   126.752
_cell_angle_beta   126.759
_cell_angle_gamma   78.654
_symmetry_Int_Tables_number   1
_cell_volume   197.486
_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
  Mg  Mg0  1  0.500  0.500  0.000  1.0
  Mn  Mn1  1  0.929  0.676  0.253  1.0
  Mn  Mn2  1  0.324  0.577  0.253  1.0
  Mn  Mn3  1  0.324  0.071  0.747  1.0
  Mn  Mn4  1  0.423  0.676  0.747  1.0
  Fe  Fe5  1  0.000  0.000  1.000  1.0
  Fe  Fe6  1  0.750  0.250  0.500  1.0
  O  O7  1  0.595  0.360  0.235  1.0
  O  O8  1  0.640  0.874  0.235  1.0
  O  O9  1  0.121  0.374  0.252  1.0
  O  O10  1  0.640  0.405  0.765  1.0
  O  O11  1  0.626  0.879  0.748  1.0
  O  O12  1  0.126  0.360  0.765  1.0
  O  O13  1  0.131  0.879  0.252  1.0
  O  O14  1  0.121  0.869  0.748  1.0
[/CIF]
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The material structure described by MgMn4(FeO4)2 crystallizes in the tetragonal I-4m2 space group. Mg(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. Mn(1) is bonded in a 5-coordinate geometry to two equivalent O(1) and three equivalent O(2) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a tetrahedral geometry to four equivalent O(2) atoms. In the second Fe site, Fe(2) is bonded in a tetrahedral geometry to four equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), two equivalent Mn(1), and one Fe(2) atom to form a mixture of distorted corner and face-sharing OMgMn2Fe tetrahedra. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Mn(1) and one Fe(1) atom. is represented by the CIF file [CIF]
data_MgMn4(FeO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.825
_cell_length_b   6.825
_cell_length_c   6.824
_cell_angle_alpha   126.752
_cell_angle_beta   126.759
_cell_angle_gamma   78.654
_symmetry_Int_Tables_number   1
_cell_volume   197.486
_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
  Mg  Mg0  1  0.500  0.500  0.000  1.0
  Mn  Mn1  1  0.929  0.676  0.253  1.0
  Mn  Mn2  1  0.324  0.577  0.253  1.0
  Mn  Mn3  1  0.324  0.071  0.747  1.0
  Mn  Mn4  1  0.423  0.676  0.747  1.0
  Fe  Fe5  1  0.000  0.000  1.000  1.0
  Fe  Fe6  1  0.750  0.250  0.500  1.0
  O  O7  1  0.595  0.360  0.235  1.0
  O  O8  1  0.640  0.874  0.235  1.0
  O  O9  1  0.121  0.374  0.252  1.0
  O  O10  1  0.640  0.405  0.765  1.0
  O  O11  1  0.626  0.879  0.748  1.0
  O  O12  1  0.126  0.360  0.765  1.0
  O  O13  1  0.131  0.879  0.252  1.0
  O  O14  1  0.121  0.869  0.748  1.0
[/CIF]
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