The compound described by MgZn2(FeO3)2 crystallizes in the trigonal R3 space group. Mg(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted FeO6 octahedra that share corners with three equivalent Fe(2)O6 octahedra, corners with six equivalent Zn(1)O6 octahedra, edges with three equivalent Zn(2)O6 octahedra, and  a faceface with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-55°. In the second Fe site, Fe(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form FeO6 octahedra that share corners with three equivalent Fe(1)O6 octahedra, corners with three equivalent Zn(2)O6 octahedra, edges with three equivalent Zn(1)O6 octahedra,  a faceface with one Fe(1)O6 octahedra, and  a faceface with one Zn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-53°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form ZnO6 octahedra that share corners with three equivalent Zn(2)O6 octahedra, corners with six equivalent Fe(1)O6 octahedra, edges with three equivalent Fe(2)O6 octahedra, and  a faceface with one Zn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-55°. In the second Zn site, Zn(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form ZnO6 octahedra that share corners with three equivalent Fe(2)O6 octahedra, corners with three equivalent Zn(1)O6 octahedra, edges with three equivalent Fe(1)O6 octahedra,  a faceface with one Fe(2)O6 octahedra, and  a faceface with one Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-45°. There are two 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 a mixture of distorted corner and edge-sharing OMgZn2Fe2 trigonal bipyramids. In the second O site, O(2) is bonded to one Mg(1), one Fe(1), one Fe(2), one Zn(1), and one Zn(2) atom to form a mixture of distorted corner and edge-sharing OMgZn2Fe2 trigonal bipyramids. is represented by the CIF card [CIF]
data_MgZn2(FeO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.821
_cell_length_b   5.821
_cell_length_c   5.821
_cell_angle_alpha   53.261
_cell_angle_beta   53.261
_cell_angle_gamma   53.261
_symmetry_Int_Tables_number   1
_cell_volume   117.465
_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  0.298  0.298  0.298  1.0
  Zn  Zn1  1  0.485  0.485  0.485  1.0
  Zn  Zn2  1  0.655  0.655  0.655  1.0
  Fe  Fe3  1  0.020  0.020  0.020  1.0
  Fe  Fe4  1  0.832  0.832  0.832  1.0
  O  O5  1  0.071  0.731  0.425  1.0
  O  O6  1  0.620  0.902  0.224  1.0
  O  O7  1  0.224  0.620  0.902  1.0
  O  O8  1  0.731  0.425  0.071  1.0
  O  O9  1  0.425  0.071  0.731  1.0
  O  O10  1  0.902  0.224  0.620  1.0
[/CIF]
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The compound described by MgZn2(FeO3)2 crystallizes in the trigonal R3 space group. Mg(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted FeO6 octahedra that share corners with three equivalent Fe(2)O6 octahedra, corners with six equivalent Zn(1)O6 octahedra, edges with three equivalent Zn(2)O6 octahedra, and  a faceface with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-55°. In the second Fe site, Fe(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form FeO6 octahedra that share corners with three equivalent Fe(1)O6 octahedra, corners with three equivalent Zn(2)O6 octahedra, edges with three equivalent Zn(1)O6 octahedra,  a faceface with one Fe(1)O6 octahedra, and  a faceface with one Zn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-53°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form ZnO6 octahedra that share corners with three equivalent Zn(2)O6 octahedra, corners with six equivalent Fe(1)O6 octahedra, edges with three equivalent Fe(2)O6 octahedra, and  a faceface with one Zn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-55°. In the second Zn site, Zn(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form ZnO6 octahedra that share corners with three equivalent Fe(2)O6 octahedra, corners with three equivalent Zn(1)O6 octahedra, edges with three equivalent Fe(1)O6 octahedra,  a faceface with one Fe(2)O6 octahedra, and  a faceface with one Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-45°. There are two 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 a mixture of distorted corner and edge-sharing OMgZn2Fe2 trigonal bipyramids. In the second O site, O(2) is bonded to one Mg(1), one Fe(1), one Fe(2), one Zn(1), and one Zn(2) atom to form a mixture of distorted corner and edge-sharing OMgZn2Fe2 trigonal bipyramids. is represented by the CIF card [CIF]
data_MgZn2(FeO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.821
_cell_length_b   5.821
_cell_length_c   5.821
_cell_angle_alpha   53.261
_cell_angle_beta   53.261
_cell_angle_gamma   53.261
_symmetry_Int_Tables_number   1
_cell_volume   117.465
_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  0.298  0.298  0.298  1.0
  Zn  Zn1  1  0.485  0.485  0.485  1.0
  Zn  Zn2  1  0.655  0.655  0.655  1.0
  Fe  Fe3  1  0.020  0.020  0.020  1.0
  Fe  Fe4  1  0.832  0.832  0.832  1.0
  O  O5  1  0.071  0.731  0.425  1.0
  O  O6  1  0.620  0.902  0.224  1.0
  O  O7  1  0.224  0.620  0.902  1.0
  O  O8  1  0.731  0.425  0.071  1.0
  O  O9  1  0.425  0.071  0.731  1.0
  O  O10  1  0.902  0.224  0.620  1.0
[/CIF]
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