The material described by MgZn2(FeO2)4 crystallizes in the orthorhombic Imm2 space group. Mg(1) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form MgO4 tetrahedra that share corners with six equivalent Fe(3)O6 octahedra, corners with two equivalent Fe(2)O4 tetrahedra, and  an edgeedge with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-63°. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted FeO6 octahedra that share corners with four equivalent Fe(3)O6 octahedra, corners with two equivalent Fe(2)O4 tetrahedra,  an edgeedge with one Mg(1)O4 tetrahedra, and faces with two equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles are 48°. In the second Fe site, Fe(2) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form FeO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with six equivalent Fe(3)O6 octahedra, and corners with two equivalent Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-88°. In the third Fe site, Fe(3) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form distorted FeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with three equivalent Mg(1)O4 tetrahedra, corners with three equivalent Fe(2)O4 tetrahedra, edges with two equivalent Fe(3)O6 octahedra, and  a faceface with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles are 48°. Zn(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Fe(2), one Fe(3), and two equivalent Zn(1) atoms to form distorted OMgZn2Fe2 trigonal bipyramids that share corners with five equivalent O(4)Zn2Fe2 tetrahedra,  a cornercorner with one O(1)MgZn2Fe2 trigonal bipyramid, and  a faceface with one O(1)MgZn2Fe2 trigonal bipyramid. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Fe(1), one Fe(2), two equivalent Fe(3), and one Zn(1) atom. 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 Fe(1), one Fe(3), and two equivalent Zn(1) atoms to form OZn2Fe2 tetrahedra that share  a cornercorner with one O(4)Zn2Fe2 tetrahedra, corners with five equivalent O(1)MgZn2Fe2 trigonal bipyramids, and  an edgeedge with one O(4)Zn2Fe2 tetrahedra. is represented by the CIF file [CIF]
data_MgZn2(FeO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.197
_cell_length_b   6.197
_cell_length_c   6.430
_cell_angle_alpha   58.747
_cell_angle_beta   58.747
_cell_angle_gamma   58.959
_symmetry_Int_Tables_number   1
_cell_volume   169.907
_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  0.204  0.204  0.796  1.0
  Zn  Zn1  1  0.165  0.718  0.558  1.0
  Zn  Zn2  1  0.718  0.165  0.558  1.0
  Fe  Fe3  1  0.889  0.889  0.111  1.0
  Fe  Fe4  1  0.297  0.297  0.203  1.0
  Fe  Fe5  1  0.626  0.626  0.084  1.0
  Fe  Fe6  1  0.626  0.626  0.665  1.0
  O  O7  1  0.381  0.381  0.409  1.0
  O  O8  1  0.381  0.381  0.828  1.0
  O  O9  1  0.429  0.907  0.332  1.0
  O  O10  1  0.907  0.429  0.332  1.0
  O  O11  1  0.333  0.813  0.927  1.0
  O  O12  1  0.813  0.333  0.927  1.0
  O  O13  1  0.855  0.855  0.444  1.0
  O  O14  1  0.855  0.855  0.846  1.0
[/CIF]
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The material described by MgZn2(FeO2)4 crystallizes in the orthorhombic Imm2 space group. Mg(1) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form MgO4 tetrahedra that share corners with six equivalent Fe(3)O6 octahedra, corners with two equivalent Fe(2)O4 tetrahedra, and  an edgeedge with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-63°. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted FeO6 octahedra that share corners with four equivalent Fe(3)O6 octahedra, corners with two equivalent Fe(2)O4 tetrahedra,  an edgeedge with one Mg(1)O4 tetrahedra, and faces with two equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles are 48°. In the second Fe site, Fe(2) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form FeO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with six equivalent Fe(3)O6 octahedra, and corners with two equivalent Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-88°. In the third Fe site, Fe(3) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form distorted FeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with three equivalent Mg(1)O4 tetrahedra, corners with three equivalent Fe(2)O4 tetrahedra, edges with two equivalent Fe(3)O6 octahedra, and  a faceface with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles are 48°. Zn(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Fe(2), one Fe(3), and two equivalent Zn(1) atoms to form distorted OMgZn2Fe2 trigonal bipyramids that share corners with five equivalent O(4)Zn2Fe2 tetrahedra,  a cornercorner with one O(1)MgZn2Fe2 trigonal bipyramid, and  a faceface with one O(1)MgZn2Fe2 trigonal bipyramid. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Fe(1), one Fe(2), two equivalent Fe(3), and one Zn(1) atom. 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 Fe(1), one Fe(3), and two equivalent Zn(1) atoms to form OZn2Fe2 tetrahedra that share  a cornercorner with one O(4)Zn2Fe2 tetrahedra, corners with five equivalent O(1)MgZn2Fe2 trigonal bipyramids, and  an edgeedge with one O(4)Zn2Fe2 tetrahedra. is represented by the CIF file [CIF]
data_MgZn2(FeO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.197
_cell_length_b   6.197
_cell_length_c   6.430
_cell_angle_alpha   58.747
_cell_angle_beta   58.747
_cell_angle_gamma   58.959
_symmetry_Int_Tables_number   1
_cell_volume   169.907
_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  0.204  0.204  0.796  1.0
  Zn  Zn1  1  0.165  0.718  0.558  1.0
  Zn  Zn2  1  0.718  0.165  0.558  1.0
  Fe  Fe3  1  0.889  0.889  0.111  1.0
  Fe  Fe4  1  0.297  0.297  0.203  1.0
  Fe  Fe5  1  0.626  0.626  0.084  1.0
  Fe  Fe6  1  0.626  0.626  0.665  1.0
  O  O7  1  0.381  0.381  0.409  1.0
  O  O8  1  0.381  0.381  0.828  1.0
  O  O9  1  0.429  0.907  0.332  1.0
  O  O10  1  0.907  0.429  0.332  1.0
  O  O11  1  0.333  0.813  0.927  1.0
  O  O12  1  0.813  0.333  0.927  1.0
  O  O13  1  0.855  0.855  0.444  1.0
  O  O14  1  0.855  0.855  0.846  1.0
[/CIF]
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