The material structure described by MgZn2(FeO2)4 crystallizes in the trigonal R3m space group. Mg(1) is bonded to three equivalent O(1) and three equivalent O(4) atoms to form MgO6 octahedra that share corners with six equivalent Zn(2)O6 octahedra and edges with six equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a distorted rectangular see-saw-like geometry to one O(2) and three equivalent O(1) atoms. In the second Fe site, Fe(2) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form FeO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Zn(2)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a distorted rectangular see-saw-like geometry to one O(3) and three equivalent O(4) atoms. In the second Zn site, Zn(2) is bonded to three equivalent O(1) and three equivalent O(4) atoms to form ZnO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra and edges with six equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Fe(1), two equivalent Fe(2), and one Zn(2) atom to form OMgZnFe3 square pyramids that share corners with six equivalent O(4)MgZn2Fe2 square pyramids, corners with two equivalent O(3)ZnFe3 tetrahedra,  a cornercorner with one O(2)Fe4 trigonal pyramid, edges with two equivalent O(4)MgZn2Fe2 square pyramids, edges with four equivalent O(1)MgZnFe3 square pyramids, and  an edgeedge with one O(2)Fe4 trigonal pyramid. In the second O site, O(2) is bonded to one Fe(1) and three equivalent Fe(2) atoms to form distorted OFe4 trigonal pyramids that share corners with three equivalent O(1)MgZnFe3 square pyramids, corners with six equivalent O(4)MgZn2Fe2 square pyramids, corners with three equivalent O(3)ZnFe3 tetrahedra, and edges with three equivalent O(1)MgZnFe3 square pyramids. In the third O site, O(3) is bonded to three equivalent Fe(2) and one Zn(1) atom to form distorted OZnFe3 tetrahedra that share corners with three equivalent O(4)MgZn2Fe2 square pyramids, corners with six equivalent O(1)MgZnFe3 square pyramids, corners with three equivalent O(2)Fe4 trigonal pyramids, and edges with three equivalent O(4)MgZn2Fe2 square pyramids. In the fourth O site, O(4) is bonded to one Mg(1), two equivalent Fe(2), one Zn(1), and one Zn(2) atom to form OMgZn2Fe2 square pyramids that share corners with six equivalent O(1)MgZnFe3 square pyramids,  a cornercorner with one O(3)ZnFe3 tetrahedra, corners with two equivalent O(2)Fe4 trigonal pyramids, edges with two equivalent O(1)MgZnFe3 square pyramids, edges with four equivalent O(4)MgZn2Fe2 square pyramids, and  an edgeedge with one O(3)ZnFe3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgZn2(FeO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.340
_cell_length_b   5.988
_cell_length_c   5.988
_cell_angle_alpha   60.000
_cell_angle_beta   61.823
_cell_angle_gamma   61.823
_symmetry_Int_Tables_number   1
_cell_volume   165.012
_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  0.641  0.120  0.120  1.0
  Zn  Zn1  1  0.089  0.970  0.970  1.0
  Zn  Zn2  1  0.108  0.631  0.631  1.0
  Fe  Fe3  1  0.176  0.275  0.275  1.0
  Fe  Fe4  1  0.624  0.127  0.625  1.0
  Fe  Fe5  1  0.624  0.625  0.127  1.0
  Fe  Fe6  1  0.624  0.625  0.625  1.0
  O  O7  1  0.378  0.369  0.369  1.0
  O  O8  1  0.378  0.369  0.885  1.0
  O  O9  1  0.378  0.885  0.369  1.0
  O  O10  1  0.830  0.390  0.390  1.0
  O  O11  1  0.436  0.855  0.855  1.0
  O  O12  1  0.863  0.377  0.880  1.0
  O  O13  1  0.863  0.880  0.377  1.0
  O  O14  1  0.863  0.880  0.880  1.0
[/CIF]
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The material structure described by MgZn2(FeO2)4 crystallizes in the trigonal R3m space group. Mg(1) is bonded to three equivalent O(1) and three equivalent O(4) atoms to form MgO6 octahedra that share corners with six equivalent Zn(2)O6 octahedra and edges with six equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a distorted rectangular see-saw-like geometry to one O(2) and three equivalent O(1) atoms. In the second Fe site, Fe(2) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form FeO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Zn(2)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a distorted rectangular see-saw-like geometry to one O(3) and three equivalent O(4) atoms. In the second Zn site, Zn(2) is bonded to three equivalent O(1) and three equivalent O(4) atoms to form ZnO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra and edges with six equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Fe(1), two equivalent Fe(2), and one Zn(2) atom to form OMgZnFe3 square pyramids that share corners with six equivalent O(4)MgZn2Fe2 square pyramids, corners with two equivalent O(3)ZnFe3 tetrahedra,  a cornercorner with one O(2)Fe4 trigonal pyramid, edges with two equivalent O(4)MgZn2Fe2 square pyramids, edges with four equivalent O(1)MgZnFe3 square pyramids, and  an edgeedge with one O(2)Fe4 trigonal pyramid. In the second O site, O(2) is bonded to one Fe(1) and three equivalent Fe(2) atoms to form distorted OFe4 trigonal pyramids that share corners with three equivalent O(1)MgZnFe3 square pyramids, corners with six equivalent O(4)MgZn2Fe2 square pyramids, corners with three equivalent O(3)ZnFe3 tetrahedra, and edges with three equivalent O(1)MgZnFe3 square pyramids. In the third O site, O(3) is bonded to three equivalent Fe(2) and one Zn(1) atom to form distorted OZnFe3 tetrahedra that share corners with three equivalent O(4)MgZn2Fe2 square pyramids, corners with six equivalent O(1)MgZnFe3 square pyramids, corners with three equivalent O(2)Fe4 trigonal pyramids, and edges with three equivalent O(4)MgZn2Fe2 square pyramids. In the fourth O site, O(4) is bonded to one Mg(1), two equivalent Fe(2), one Zn(1), and one Zn(2) atom to form OMgZn2Fe2 square pyramids that share corners with six equivalent O(1)MgZnFe3 square pyramids,  a cornercorner with one O(3)ZnFe3 tetrahedra, corners with two equivalent O(2)Fe4 trigonal pyramids, edges with two equivalent O(1)MgZnFe3 square pyramids, edges with four equivalent O(4)MgZn2Fe2 square pyramids, and  an edgeedge with one O(3)ZnFe3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgZn2(FeO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.340
_cell_length_b   5.988
_cell_length_c   5.988
_cell_angle_alpha   60.000
_cell_angle_beta   61.823
_cell_angle_gamma   61.823
_symmetry_Int_Tables_number   1
_cell_volume   165.012
_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  0.641  0.120  0.120  1.0
  Zn  Zn1  1  0.089  0.970  0.970  1.0
  Zn  Zn2  1  0.108  0.631  0.631  1.0
  Fe  Fe3  1  0.176  0.275  0.275  1.0
  Fe  Fe4  1  0.624  0.127  0.625  1.0
  Fe  Fe5  1  0.624  0.625  0.127  1.0
  Fe  Fe6  1  0.624  0.625  0.625  1.0
  O  O7  1  0.378  0.369  0.369  1.0
  O  O8  1  0.378  0.369  0.885  1.0
  O  O9  1  0.378  0.885  0.369  1.0
  O  O10  1  0.830  0.390  0.390  1.0
  O  O11  1  0.436  0.855  0.855  1.0
  O  O12  1  0.863  0.377  0.880  1.0
  O  O13  1  0.863  0.880  0.377  1.0
  O  O14  1  0.863  0.880  0.880  1.0
[/CIF]
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