The material described by MgZn2(FeO2)4 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted MgO6 octahedra that share corners with four equivalent Fe(1)O6 octahedra, edges with two equivalent Zn(2)O6 octahedra, edges with four equivalent Fe(2)O6 octahedra, and faces with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form FeO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Zn(2)O6 octahedra, corners with eight equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra,  a faceface with one Mg(1)O6 octahedra, and  a faceface with one Zn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-50°. In the second Fe site, Fe(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted FeO6 octahedra that share corners with eight equivalent Fe(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Zn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-50°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. In the second Zn site, Zn(2) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form ZnO6 octahedra that share corners with four equivalent Fe(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with four equivalent Fe(2)O6 octahedra, and faces with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles are 42°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Mg(1), one Fe(2), two equivalent Fe(1), one Zn(1), and one Zn(2) atom. In the second O site, O(2) is bonded to one Mg(1), one Fe(1), two equivalent Fe(2), and one Zn(1) atom to form OMgZnFe3 trigonal bipyramids that share corners with four equivalent O(2)MgZnFe3 trigonal bipyramids, corners with three equivalent O(3)ZnFe3 trigonal pyramids, and  an edgeedge with one O(3)ZnFe3 trigonal pyramid. In the third O site, O(3) is bonded to one Fe(1), two equivalent Fe(2), and one Zn(2) atom to form OZnFe3 trigonal pyramids that share corners with three equivalent O(2)MgZnFe3 trigonal bipyramids, corners with three equivalent O(3)ZnFe3 trigonal pyramids, and  an edgeedge with one O(2)MgZnFe3 trigonal bipyramid. is represented by the CIF file [CIF]
data_MgZn2(FeO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.946
_cell_length_b   6.028
_cell_length_c   5.907
_cell_angle_alpha   60.659
_cell_angle_beta   60.215
_cell_angle_gamma   69.630
_symmetry_Int_Tables_number   1
_cell_volume   158.628
_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  0.625  0.125  0.125  1.0
  Zn  Zn1  1  0.125  0.625  0.625  1.0
  Zn  Zn2  1  0.625  0.125  0.625  1.0
  Fe  Fe3  1  0.131  0.097  0.886  1.0
  Fe  Fe4  1  0.119  0.153  0.364  1.0
  Fe  Fe5  1  0.625  0.625  0.125  1.0
  Fe  Fe6  1  0.625  0.625  0.625  1.0
  O  O7  1  0.327  0.284  0.448  1.0
  O  O8  1  0.327  0.284  0.941  1.0
  O  O9  1  0.396  0.844  0.380  1.0
  O  O10  1  0.824  0.427  0.375  1.0
  O  O11  1  0.426  0.823  0.875  1.0
  O  O12  1  0.854  0.406  0.870  1.0
  O  O13  1  0.923  0.966  0.309  1.0
  O  O14  1  0.923  0.966  0.802  1.0
[/CIF]
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The material described by MgZn2(FeO2)4 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted MgO6 octahedra that share corners with four equivalent Fe(1)O6 octahedra, edges with two equivalent Zn(2)O6 octahedra, edges with four equivalent Fe(2)O6 octahedra, and faces with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form FeO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Zn(2)O6 octahedra, corners with eight equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra,  a faceface with one Mg(1)O6 octahedra, and  a faceface with one Zn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-50°. In the second Fe site, Fe(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted FeO6 octahedra that share corners with eight equivalent Fe(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Zn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-50°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. In the second Zn site, Zn(2) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form ZnO6 octahedra that share corners with four equivalent Fe(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with four equivalent Fe(2)O6 octahedra, and faces with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles are 42°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Mg(1), one Fe(2), two equivalent Fe(1), one Zn(1), and one Zn(2) atom. In the second O site, O(2) is bonded to one Mg(1), one Fe(1), two equivalent Fe(2), and one Zn(1) atom to form OMgZnFe3 trigonal bipyramids that share corners with four equivalent O(2)MgZnFe3 trigonal bipyramids, corners with three equivalent O(3)ZnFe3 trigonal pyramids, and  an edgeedge with one O(3)ZnFe3 trigonal pyramid. In the third O site, O(3) is bonded to one Fe(1), two equivalent Fe(2), and one Zn(2) atom to form OZnFe3 trigonal pyramids that share corners with three equivalent O(2)MgZnFe3 trigonal bipyramids, corners with three equivalent O(3)ZnFe3 trigonal pyramids, and  an edgeedge with one O(2)MgZnFe3 trigonal bipyramid. is represented by the CIF file [CIF]
data_MgZn2(FeO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.946
_cell_length_b   6.028
_cell_length_c   5.907
_cell_angle_alpha   60.659
_cell_angle_beta   60.215
_cell_angle_gamma   69.630
_symmetry_Int_Tables_number   1
_cell_volume   158.628
_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  0.625  0.125  0.125  1.0
  Zn  Zn1  1  0.125  0.625  0.625  1.0
  Zn  Zn2  1  0.625  0.125  0.625  1.0
  Fe  Fe3  1  0.131  0.097  0.886  1.0
  Fe  Fe4  1  0.119  0.153  0.364  1.0
  Fe  Fe5  1  0.625  0.625  0.125  1.0
  Fe  Fe6  1  0.625  0.625  0.625  1.0
  O  O7  1  0.327  0.284  0.448  1.0
  O  O8  1  0.327  0.284  0.941  1.0
  O  O9  1  0.396  0.844  0.380  1.0
  O  O10  1  0.824  0.427  0.375  1.0
  O  O11  1  0.426  0.823  0.875  1.0
  O  O12  1  0.854  0.406  0.870  1.0
  O  O13  1  0.923  0.966  0.309  1.0
  O  O14  1  0.923  0.966  0.802  1.0
[/CIF]
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