The crystal structure 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 MgO6 octahedra that share corners with six equivalent Zn(1)O6 octahedra, edges with two equivalent Zn(2)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a rectangular see-saw-like geometry to one O(2), one O(3), and two equivalent O(1) atoms. 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 FeO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Zn(1)O6 octahedra, and edges with two equivalent Zn(2)O6 octahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form ZnO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra, edges with two equivalent Zn(2)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. 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 edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Zn(1)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Fe(1), one Fe(2), one Zn(1), and one Zn(2) atom to form OMgZn2Fe2 square pyramids that share corners with five equivalent O(1)MgZn2Fe2 square pyramids, corners with three equivalent O(3)ZnFe3 tetrahedra,  a cornercorner with one O(2)MgZnFe3 trigonal bipyramid, edges with three equivalent O(1)MgZn2Fe2 square pyramids,  an edgeedge with one O(3)ZnFe3 tetrahedra, and edges with three equivalent O(2)MgZnFe3 trigonal bipyramids. 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 two equivalent O(1)MgZn2Fe2 square pyramids, corners with three equivalent O(3)ZnFe3 tetrahedra, corners with four equivalent O(2)MgZnFe3 trigonal bipyramids, edges with six equivalent O(1)MgZn2Fe2 square pyramids, and  an edgeedge with one O(3)ZnFe3 tetrahedra. In the third O site, O(3) is bonded to one Fe(1), two equivalent Fe(2), and one Zn(2) atom to form distorted OZnFe3 tetrahedra that share corners with six equivalent O(1)MgZn2Fe2 square pyramids, corners with three equivalent O(3)ZnFe3 tetrahedra, corners with three equivalent O(2)MgZnFe3 trigonal bipyramids, edges with two equivalent O(1)MgZn2Fe2 square 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   6.357
_cell_length_b   5.991
_cell_length_c   5.996
_cell_angle_alpha   59.975
_cell_angle_beta   61.862
_cell_angle_gamma   62.008
_symmetry_Int_Tables_number   1
_cell_volume   166.015
_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  0.085  0.963  0.976  1.0
  Fe  Fe4  1  0.165  0.287  0.274  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  0.389  0.383  0.358  1.0
  O  O8  1  0.389  0.383  0.870  1.0
  O  O9  1  0.397  0.872  0.365  1.0
  O  O10  1  0.807  0.403  0.395  1.0
  O  O11  1  0.443  0.847  0.855  1.0
  O  O12  1  0.853  0.378  0.885  1.0
  O  O13  1  0.861  0.867  0.380  1.0
  O  O14  1  0.861  0.867  0.892  1.0
[/CIF]
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The crystal structure 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 MgO6 octahedra that share corners with six equivalent Zn(1)O6 octahedra, edges with two equivalent Zn(2)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a rectangular see-saw-like geometry to one O(2), one O(3), and two equivalent O(1) atoms. 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 FeO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Zn(1)O6 octahedra, and edges with two equivalent Zn(2)O6 octahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form ZnO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra, edges with two equivalent Zn(2)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. 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 edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Zn(1)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Fe(1), one Fe(2), one Zn(1), and one Zn(2) atom to form OMgZn2Fe2 square pyramids that share corners with five equivalent O(1)MgZn2Fe2 square pyramids, corners with three equivalent O(3)ZnFe3 tetrahedra,  a cornercorner with one O(2)MgZnFe3 trigonal bipyramid, edges with three equivalent O(1)MgZn2Fe2 square pyramids,  an edgeedge with one O(3)ZnFe3 tetrahedra, and edges with three equivalent O(2)MgZnFe3 trigonal bipyramids. 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 two equivalent O(1)MgZn2Fe2 square pyramids, corners with three equivalent O(3)ZnFe3 tetrahedra, corners with four equivalent O(2)MgZnFe3 trigonal bipyramids, edges with six equivalent O(1)MgZn2Fe2 square pyramids, and  an edgeedge with one O(3)ZnFe3 tetrahedra. In the third O site, O(3) is bonded to one Fe(1), two equivalent Fe(2), and one Zn(2) atom to form distorted OZnFe3 tetrahedra that share corners with six equivalent O(1)MgZn2Fe2 square pyramids, corners with three equivalent O(3)ZnFe3 tetrahedra, corners with three equivalent O(2)MgZnFe3 trigonal bipyramids, edges with two equivalent O(1)MgZn2Fe2 square 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   6.357
_cell_length_b   5.991
_cell_length_c   5.996
_cell_angle_alpha   59.975
_cell_angle_beta   61.862
_cell_angle_gamma   62.008
_symmetry_Int_Tables_number   1
_cell_volume   166.015
_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  0.085  0.963  0.976  1.0
  Fe  Fe4  1  0.165  0.287  0.274  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  0.389  0.383  0.358  1.0
  O  O8  1  0.389  0.383  0.870  1.0
  O  O9  1  0.397  0.872  0.365  1.0
  O  O10  1  0.807  0.403  0.395  1.0
  O  O11  1  0.443  0.847  0.855  1.0
  O  O12  1  0.853  0.378  0.885  1.0
  O  O13  1  0.861  0.867  0.380  1.0
  O  O14  1  0.861  0.867  0.892  1.0
[/CIF]
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