The material described by MgMn2(FeO2)4 crystallizes in the orthorhombic Imm2 space group. Mg(1) is bonded in a 4-coordinate geometry to two equivalent O(3) and two equivalent O(4) atoms. Mn(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(4) atoms. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a tetrahedral geometry to two equivalent O(3) and two equivalent O(4) atoms. In the second Fe site, Fe(2) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(2) atoms. In the third Fe site, Fe(3) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(2), and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Mn(1), one Fe(2), and one Fe(3) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Mn(1), one Fe(2), and two equivalent Fe(3) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Mg(1), one Fe(1), and two equivalent Fe(3) atoms. In the fourth O site, O(4) is bonded to one Mg(1), two equivalent Mn(1), and one Fe(1) atom to form a mixture of distorted face and corner-sharing OMgMn2Fe tetrahedra. is represented by the CIF card [CIF]
data_MgMn2(FeO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.768
_cell_length_b   6.768
_cell_length_c   6.032
_cell_angle_alpha   63.540
_cell_angle_beta   63.538
_cell_angle_gamma   52.995
_symmetry_Int_Tables_number   1
_cell_volume   191.341
_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  0.746  0.746  0.754  1.0
  Mn  Mn1  1  0.185  0.666  0.574  1.0
  Mn  Mn2  1  0.667  0.185  0.574  1.0
  Fe  Fe3  1  0.994  0.994  0.006  1.0
  Fe  Fe4  1  0.255  0.255  0.245  1.0
  Fe  Fe5  1  0.583  0.583  0.181  1.0
  Fe  Fe6  1  0.583  0.583  0.653  1.0
  O  O7  1  0.374  0.374  0.373  1.0
  O  O8  1  0.390  0.872  0.369  1.0
  O  O9  1  0.374  0.374  0.879  1.0
  O  O10  1  0.872  0.390  0.369  1.0
  O  O11  1  0.371  0.837  0.896  1.0
  O  O12  1  0.837  0.371  0.896  1.0
  O  O13  1  0.885  0.885  0.381  1.0
  O  O14  1  0.885  0.885  0.849  1.0
[/CIF]
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The material described by MgMn2(FeO2)4 crystallizes in the orthorhombic Imm2 space group. Mg(1) is bonded in a 4-coordinate geometry to two equivalent O(3) and two equivalent O(4) atoms. Mn(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(4) atoms. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a tetrahedral geometry to two equivalent O(3) and two equivalent O(4) atoms. In the second Fe site, Fe(2) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(2) atoms. In the third Fe site, Fe(3) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(2), and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Mn(1), one Fe(2), and one Fe(3) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Mn(1), one Fe(2), and two equivalent Fe(3) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Mg(1), one Fe(1), and two equivalent Fe(3) atoms. In the fourth O site, O(4) is bonded to one Mg(1), two equivalent Mn(1), and one Fe(1) atom to form a mixture of distorted face and corner-sharing OMgMn2Fe tetrahedra. is represented by the CIF card [CIF]
data_MgMn2(FeO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.768
_cell_length_b   6.768
_cell_length_c   6.032
_cell_angle_alpha   63.540
_cell_angle_beta   63.538
_cell_angle_gamma   52.995
_symmetry_Int_Tables_number   1
_cell_volume   191.341
_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  0.746  0.746  0.754  1.0
  Mn  Mn1  1  0.185  0.666  0.574  1.0
  Mn  Mn2  1  0.667  0.185  0.574  1.0
  Fe  Fe3  1  0.994  0.994  0.006  1.0
  Fe  Fe4  1  0.255  0.255  0.245  1.0
  Fe  Fe5  1  0.583  0.583  0.181  1.0
  Fe  Fe6  1  0.583  0.583  0.653  1.0
  O  O7  1  0.374  0.374  0.373  1.0
  O  O8  1  0.390  0.872  0.369  1.0
  O  O9  1  0.374  0.374  0.879  1.0
  O  O10  1  0.872  0.390  0.369  1.0
  O  O11  1  0.371  0.837  0.896  1.0
  O  O12  1  0.837  0.371  0.896  1.0
  O  O13  1  0.885  0.885  0.381  1.0
  O  O14  1  0.885  0.885  0.849  1.0
[/CIF]
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