The material described by ZnFe2O4 is Spinel-like structured and crystallizes in the orthorhombic Imma space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form FeO4 tetrahedra that share corners with six equivalent Fe(2)O6 octahedra and corners with six equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-58°. In the second Fe site, Fe(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form FeO6 octahedra that share corners with six equivalent Fe(1)O4 tetrahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with four equivalent Zn(1)O6 octahedra. Zn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form ZnO6 octahedra that share corners with six equivalent Fe(1)O4 tetrahedra, edges with two equivalent Zn(1)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Fe(1), one Fe(2), and two equivalent Zn(1) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Fe(1), two equivalent Fe(2), and one Zn(1) atom. is represented by the CIF file [CIF]
data_Zn(FeO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.003
_cell_length_b   6.014
_cell_length_c   6.038
_cell_angle_alpha   119.869
_cell_angle_beta   119.805
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   154.905
_cell_formula_units_Z   2
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
  Zn  Zn0  1  0.625  0.375  0.750  1.0
  Zn  Zn1  1  0.125  0.375  0.750  1.0
  Fe  Fe2  1  0.994  0.994  0.989  1.0
  Fe  Fe3  1  0.256  0.756  0.511  1.0
  Fe  Fe4  1  0.625  0.375  0.250  1.0
  Fe  Fe5  1  0.625  0.875  0.250  1.0
  O  O6  1  0.388  0.144  0.777  1.0
  O  O7  1  0.388  0.633  0.777  1.0
  O  O8  1  0.862  0.117  0.723  1.0
  O  O9  1  0.862  0.606  0.723  1.0
  O  O10  1  0.862  0.627  0.254  1.0
  O  O11  1  0.392  0.627  0.254  1.0
  O  O12  1  0.858  0.123  0.246  1.0
  O  O13  1  0.388  0.123  0.246  1.0
[/CIF]
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The material described by ZnFe2O4 is Spinel-like structured and crystallizes in the orthorhombic Imma space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form FeO4 tetrahedra that share corners with six equivalent Fe(2)O6 octahedra and corners with six equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-58°. In the second Fe site, Fe(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form FeO6 octahedra that share corners with six equivalent Fe(1)O4 tetrahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with four equivalent Zn(1)O6 octahedra. Zn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form ZnO6 octahedra that share corners with six equivalent Fe(1)O4 tetrahedra, edges with two equivalent Zn(1)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Fe(1), one Fe(2), and two equivalent Zn(1) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Fe(1), two equivalent Fe(2), and one Zn(1) atom. is represented by the CIF file [CIF]
data_Zn(FeO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.003
_cell_length_b   6.014
_cell_length_c   6.038
_cell_angle_alpha   119.869
_cell_angle_beta   119.805
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   154.905
_cell_formula_units_Z   2
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
  Zn  Zn0  1  0.625  0.375  0.750  1.0
  Zn  Zn1  1  0.125  0.375  0.750  1.0
  Fe  Fe2  1  0.994  0.994  0.989  1.0
  Fe  Fe3  1  0.256  0.756  0.511  1.0
  Fe  Fe4  1  0.625  0.375  0.250  1.0
  Fe  Fe5  1  0.625  0.875  0.250  1.0
  O  O6  1  0.388  0.144  0.777  1.0
  O  O7  1  0.388  0.633  0.777  1.0
  O  O8  1  0.862  0.117  0.723  1.0
  O  O9  1  0.862  0.606  0.723  1.0
  O  O10  1  0.862  0.627  0.254  1.0
  O  O11  1  0.392  0.627  0.254  1.0
  O  O12  1  0.858  0.123  0.246  1.0
  O  O13  1  0.388  0.123  0.246  1.0
[/CIF]
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