The material structure described by MgZn2(FeO2)4 crystallizes in the monoclinic Pm space group. Mg(1) is bonded to two equivalent O(2) and two equivalent O(4) atoms to form distorted MgO4 trigonal pyramids that share corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Fe(2)O5 square pyramids, and corners with two equivalent Mg(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles are 15°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(5) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with four equivalent Zn(2)O6 pentagonal pyramids, corners with two equivalent Fe(2)O5 square pyramids,  a cornercorner with one Mg(1)O4 trigonal pyramid, edges with two equivalent Fe(1)O6 octahedra,  an edgeedge with one Zn(2)O6 pentagonal pyramid, and edges with three equivalent Fe(2)O5 square pyramids. The corner-sharing octahedral tilt angles are 60°. In the second Fe site, Fe(2) is bonded to one O(1), two equivalent O(2), and two equivalent O(5) atoms to form distorted FeO5 square pyramids that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Zn(2)O6 pentagonal pyramids, corners with two equivalent Mg(1)O4 trigonal pyramids, edges with three equivalent Fe(1)O6 octahedra, and edges with two equivalent Fe(2)O5 square pyramids. The corner-sharing octahedral tilt angles are 18°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in an L-shaped geometry to two equivalent O(4) atoms. In the second Zn site, Zn(2) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form distorted ZnO6 pentagonal pyramids that share corners with eight equivalent Fe(1)O6 octahedra, corners with four equivalent Fe(2)O5 square pyramids, edges with two equivalent Fe(1)O6 octahedra, and faces with two equivalent Zn(2)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 25-69°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Fe(2), two equivalent Fe(1), and two equivalent Zn(2) atoms to form distorted OZn2Fe3 trigonal bipyramids that share corners with four equivalent O(3)Zn2Fe2 tetrahedra, corners with two equivalent O(1)Zn2Fe3 trigonal bipyramids,  an edgeedge with one O(3)Zn2Fe2 tetrahedra, and edges with three equivalent O(1)Zn2Fe3 trigonal bipyramids. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Fe(1), and two equivalent Fe(2) atoms. In the third O site, O(3) is bonded to two equivalent Fe(1) and two equivalent Zn(2) atoms to form OZn2Fe2 tetrahedra that share corners with two equivalent O(3)Zn2Fe2 tetrahedra, corners with eight equivalent O(1)Zn2Fe3 trigonal bipyramids, and edges with two equivalent O(1)Zn2Fe3 trigonal bipyramids. In the fourth O site, O(4) is bonded in a distorted square co-planar geometry to two equivalent Mg(1) and two equivalent Zn(1) atoms. In the fifth O site, O(5) is bonded in a square co-planar geometry to two equivalent Fe(1) and two equivalent Fe(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgZn2(FeO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.953
_cell_length_b   5.332
_cell_length_c   11.144
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   106.175
_symmetry_Int_Tables_number   1
_cell_volume   168.507
_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  0.696  0.391  0.750  1.0
  Zn  Zn1  1  0.430  0.863  0.750  1.0
  Zn  Zn2  1  0.627  0.252  0.250  1.0
  Fe  Fe3  1  0.883  0.766  0.091  1.0
  Fe  Fe4  1  0.141  0.280  0.983  1.0
  Fe  Fe5  1  0.883  0.766  0.409  1.0
  Fe  Fe6  1  0.141  0.280  0.517  1.0
  O  O7  1  0.238  0.477  0.370  1.0
  O  O8  1  0.758  0.511  0.585  1.0
  O  O9  1  0.758  0.511  0.915  1.0
  O  O10  1  0.238  0.477  0.130  1.0
  O  O11  1  0.982  0.965  0.250  1.0
  O  O12  1  0.065  0.130  0.750  1.0
  O  O13  1  0.508  0.015  0.007  1.0
  O  O14  1  0.508  0.015  0.493  1.0
[/CIF]
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The material structure described by MgZn2(FeO2)4 crystallizes in the monoclinic Pm space group. Mg(1) is bonded to two equivalent O(2) and two equivalent O(4) atoms to form distorted MgO4 trigonal pyramids that share corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Fe(2)O5 square pyramids, and corners with two equivalent Mg(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles are 15°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(5) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with four equivalent Zn(2)O6 pentagonal pyramids, corners with two equivalent Fe(2)O5 square pyramids,  a cornercorner with one Mg(1)O4 trigonal pyramid, edges with two equivalent Fe(1)O6 octahedra,  an edgeedge with one Zn(2)O6 pentagonal pyramid, and edges with three equivalent Fe(2)O5 square pyramids. The corner-sharing octahedral tilt angles are 60°. In the second Fe site, Fe(2) is bonded to one O(1), two equivalent O(2), and two equivalent O(5) atoms to form distorted FeO5 square pyramids that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Zn(2)O6 pentagonal pyramids, corners with two equivalent Mg(1)O4 trigonal pyramids, edges with three equivalent Fe(1)O6 octahedra, and edges with two equivalent Fe(2)O5 square pyramids. The corner-sharing octahedral tilt angles are 18°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in an L-shaped geometry to two equivalent O(4) atoms. In the second Zn site, Zn(2) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form distorted ZnO6 pentagonal pyramids that share corners with eight equivalent Fe(1)O6 octahedra, corners with four equivalent Fe(2)O5 square pyramids, edges with two equivalent Fe(1)O6 octahedra, and faces with two equivalent Zn(2)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 25-69°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Fe(2), two equivalent Fe(1), and two equivalent Zn(2) atoms to form distorted OZn2Fe3 trigonal bipyramids that share corners with four equivalent O(3)Zn2Fe2 tetrahedra, corners with two equivalent O(1)Zn2Fe3 trigonal bipyramids,  an edgeedge with one O(3)Zn2Fe2 tetrahedra, and edges with three equivalent O(1)Zn2Fe3 trigonal bipyramids. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Fe(1), and two equivalent Fe(2) atoms. In the third O site, O(3) is bonded to two equivalent Fe(1) and two equivalent Zn(2) atoms to form OZn2Fe2 tetrahedra that share corners with two equivalent O(3)Zn2Fe2 tetrahedra, corners with eight equivalent O(1)Zn2Fe3 trigonal bipyramids, and edges with two equivalent O(1)Zn2Fe3 trigonal bipyramids. In the fourth O site, O(4) is bonded in a distorted square co-planar geometry to two equivalent Mg(1) and two equivalent Zn(1) atoms. In the fifth O site, O(5) is bonded in a square co-planar geometry to two equivalent Fe(1) and two equivalent Fe(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgZn2(FeO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.953
_cell_length_b   5.332
_cell_length_c   11.144
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   106.175
_symmetry_Int_Tables_number   1
_cell_volume   168.507
_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  0.696  0.391  0.750  1.0
  Zn  Zn1  1  0.430  0.863  0.750  1.0
  Zn  Zn2  1  0.627  0.252  0.250  1.0
  Fe  Fe3  1  0.883  0.766  0.091  1.0
  Fe  Fe4  1  0.141  0.280  0.983  1.0
  Fe  Fe5  1  0.883  0.766  0.409  1.0
  Fe  Fe6  1  0.141  0.280  0.517  1.0
  O  O7  1  0.238  0.477  0.370  1.0
  O  O8  1  0.758  0.511  0.585  1.0
  O  O9  1  0.758  0.511  0.915  1.0
  O  O10  1  0.238  0.477  0.130  1.0
  O  O11  1  0.982  0.965  0.250  1.0
  O  O12  1  0.065  0.130  0.750  1.0
  O  O13  1  0.508  0.015  0.007  1.0
  O  O14  1  0.508  0.015  0.493  1.0
[/CIF]
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