The material described by MgZn2(FeO2)4 is Aluminum carbonitride-derived structured and crystallizes in the monoclinic Cm space group. Mg(1) is bonded to one O(1), one O(3), and two equivalent O(5) atoms to form MgO4 tetrahedra that share corners with six equivalent Fe(2)O6 octahedra, corners with two equivalent Zn(1)O4 tetrahedra, and  an edgeedge with one Fe(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 34-61°. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form distorted FeO4 tetrahedra that share corners with six equivalent Fe(2)O6 octahedra and  an edgeedge with one Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 55-72°. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form FeO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, corners with three equivalent Fe(1)O4 tetrahedra, corners with three equivalent Zn(1)O4 tetrahedra, and edges with two equivalent Fe(2)O6 octahedra. In the third Fe site, Fe(3) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(2), and two equivalent O(5) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(4), one O(6), and two equivalent O(5) atoms to form ZnO4 tetrahedra that share corners with six equivalent Fe(2)O6 octahedra and corners with two equivalent Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-67°. In the second Zn site, Zn(2) is bonded in a 5-coordinate geometry to one O(6), two equivalent O(2), and two equivalent O(5) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Mg(1), one Fe(1), and two equivalent Fe(2) atoms. In the second O site, O(2) is bonded to one Fe(1), one Fe(2), one Fe(3), and one Zn(2) atom to form OZnFe3 tetrahedra that share  a cornercorner with one O(2)ZnFe3 tetrahedra, corners with five equivalent O(5)MgZn2Fe2 trigonal bipyramids, and  an edgeedge with one O(2)ZnFe3 tetrahedra. 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(2) atoms. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Fe(3), two equivalent Fe(2), and one Zn(1) atom. In the fifth O site, O(5) is bonded to one Mg(1), one Fe(2), one Fe(3), one Zn(1), and one Zn(2) atom to form distorted OMgZn2Fe2 trigonal bipyramids that share corners with five equivalent O(2)ZnFe3 tetrahedra,  a cornercorner with one O(5)MgZn2Fe2 trigonal bipyramid, and  a faceface with one O(5)MgZn2Fe2 trigonal bipyramid. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to two equivalent Fe(2), one Zn(1), and one Zn(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgZn2(FeO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.064
_cell_length_b   6.295
_cell_length_c   6.295
_cell_angle_alpha   59.283
_cell_angle_beta   61.234
_cell_angle_gamma   61.234
_symmetry_Int_Tables_number   1
_cell_volume   172.043
_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  0.037  0.472  0.472  1.0
  Zn  Zn1  1  0.974  0.030  0.030  1.0
  Zn  Zn2  1  0.099  0.685  0.685  1.0
  Fe  Fe3  1  0.317  0.177  0.177  1.0
  Fe  Fe4  1  0.626  0.132  0.613  1.0
  Fe  Fe5  1  0.626  0.613  0.132  1.0
  Fe  Fe6  1  0.551  0.668  0.668  1.0
  O  O7  1  0.421  0.345  0.345  1.0
  O  O8  1  0.399  0.380  0.808  1.0
  O  O9  1  0.399  0.808  0.380  1.0
  O  O10  1  0.881  0.354  0.354  1.0
  O  O11  1  0.385  0.890  0.890  1.0
  O  O12  1  0.862  0.422  0.858  1.0
  O  O13  1  0.862  0.858  0.422  1.0
  O  O14  1  0.831  0.896  0.896  1.0
[/CIF]
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The material described by MgZn2(FeO2)4 is Aluminum carbonitride-derived structured and crystallizes in the monoclinic Cm space group. Mg(1) is bonded to one O(1), one O(3), and two equivalent O(5) atoms to form MgO4 tetrahedra that share corners with six equivalent Fe(2)O6 octahedra, corners with two equivalent Zn(1)O4 tetrahedra, and  an edgeedge with one Fe(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 34-61°. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form distorted FeO4 tetrahedra that share corners with six equivalent Fe(2)O6 octahedra and  an edgeedge with one Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 55-72°. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form FeO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, corners with three equivalent Fe(1)O4 tetrahedra, corners with three equivalent Zn(1)O4 tetrahedra, and edges with two equivalent Fe(2)O6 octahedra. In the third Fe site, Fe(3) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(2), and two equivalent O(5) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(4), one O(6), and two equivalent O(5) atoms to form ZnO4 tetrahedra that share corners with six equivalent Fe(2)O6 octahedra and corners with two equivalent Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-67°. In the second Zn site, Zn(2) is bonded in a 5-coordinate geometry to one O(6), two equivalent O(2), and two equivalent O(5) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Mg(1), one Fe(1), and two equivalent Fe(2) atoms. In the second O site, O(2) is bonded to one Fe(1), one Fe(2), one Fe(3), and one Zn(2) atom to form OZnFe3 tetrahedra that share  a cornercorner with one O(2)ZnFe3 tetrahedra, corners with five equivalent O(5)MgZn2Fe2 trigonal bipyramids, and  an edgeedge with one O(2)ZnFe3 tetrahedra. 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(2) atoms. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Fe(3), two equivalent Fe(2), and one Zn(1) atom. In the fifth O site, O(5) is bonded to one Mg(1), one Fe(2), one Fe(3), one Zn(1), and one Zn(2) atom to form distorted OMgZn2Fe2 trigonal bipyramids that share corners with five equivalent O(2)ZnFe3 tetrahedra,  a cornercorner with one O(5)MgZn2Fe2 trigonal bipyramid, and  a faceface with one O(5)MgZn2Fe2 trigonal bipyramid. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to two equivalent Fe(2), one Zn(1), and one Zn(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgZn2(FeO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.064
_cell_length_b   6.295
_cell_length_c   6.295
_cell_angle_alpha   59.283
_cell_angle_beta   61.234
_cell_angle_gamma   61.234
_symmetry_Int_Tables_number   1
_cell_volume   172.043
_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  0.037  0.472  0.472  1.0
  Zn  Zn1  1  0.974  0.030  0.030  1.0
  Zn  Zn2  1  0.099  0.685  0.685  1.0
  Fe  Fe3  1  0.317  0.177  0.177  1.0
  Fe  Fe4  1  0.626  0.132  0.613  1.0
  Fe  Fe5  1  0.626  0.613  0.132  1.0
  Fe  Fe6  1  0.551  0.668  0.668  1.0
  O  O7  1  0.421  0.345  0.345  1.0
  O  O8  1  0.399  0.380  0.808  1.0
  O  O9  1  0.399  0.808  0.380  1.0
  O  O10  1  0.881  0.354  0.354  1.0
  O  O11  1  0.385  0.890  0.890  1.0
  O  O12  1  0.862  0.422  0.858  1.0
  O  O13  1  0.862  0.858  0.422  1.0
  O  O14  1  0.831  0.896  0.896  1.0
[/CIF]
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