The compound described by ZnFe2O4 crystallizes in the orthorhombic Pbcm space group. Fe(1) is bonded to one O(3), two equivalent O(2), and three equivalent O(1) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 0-56°. Zn(1) is bonded in a 6-coordinate geometry to two equivalent O(3) and four equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Fe(1) and two equivalent Zn(1) atoms to form distorted OZn2Fe3 trigonal bipyramids that share corners with five 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 five equivalent O(1)Zn2Fe3 trigonal bipyramids. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to four equivalent Fe(1) atoms. In the third O site, O(3) is bonded to two equivalent Fe(1) and two equivalent Zn(1) atoms to form OZn2Fe2 tetrahedra that share corners with two equivalent O(3)Zn2Fe2 tetrahedra, corners with ten equivalent O(1)Zn2Fe3 trigonal bipyramids, and edges with two equivalent O(1)Zn2Fe3 trigonal bipyramids. is represented by the CIF card [CIF]
data_Zn(FeO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.950
_cell_length_b   9.736
_cell_length_c   10.070
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   289.226
_cell_formula_units_Z   4
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  0.199  0.362  0.250  1.0
  Zn  Zn1  1  0.199  0.138  0.750  1.0
  Zn  Zn2  1  0.801  0.862  0.250  1.0
  Zn  Zn3  1  0.801  0.638  0.750  1.0
  Fe  Fe4  1  0.736  0.118  0.426  1.0
  Fe  Fe5  1  0.736  0.382  0.926  1.0
  Fe  Fe6  1  0.264  0.882  0.926  1.0
  Fe  Fe7  1  0.736  0.382  0.574  1.0
  Fe  Fe8  1  0.264  0.882  0.574  1.0
  Fe  Fe9  1  0.736  0.118  0.074  1.0
  Fe  Fe10  1  0.264  0.618  0.074  1.0
  Fe  Fe11  1  0.264  0.618  0.426  1.0
  O  O12  1  0.239  0.980  0.113  1.0
  O  O13  1  0.761  0.020  0.887  1.0
  O  O14  1  0.235  0.250  0.000  1.0
  O  O15  1  0.761  0.480  0.113  1.0
  O  O16  1  0.761  0.480  0.387  1.0
  O  O17  1  0.706  0.285  0.750  1.0
  O  O18  1  0.239  0.520  0.887  1.0
  O  O19  1  0.294  0.785  0.750  1.0
  O  O20  1  0.235  0.250  0.500  1.0
  O  O21  1  0.765  0.750  0.000  1.0
  O  O22  1  0.239  0.980  0.387  1.0
  O  O23  1  0.294  0.715  0.250  1.0
  O  O24  1  0.706  0.215  0.250  1.0
  O  O25  1  0.765  0.750  0.500  1.0
  O  O26  1  0.239  0.520  0.613  1.0
  O  O27  1  0.761  0.020  0.613  1.0
[/CIF]
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The compound described by ZnFe2O4 crystallizes in the orthorhombic Pbcm space group. Fe(1) is bonded to one O(3), two equivalent O(2), and three equivalent O(1) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 0-56°. Zn(1) is bonded in a 6-coordinate geometry to two equivalent O(3) and four equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Fe(1) and two equivalent Zn(1) atoms to form distorted OZn2Fe3 trigonal bipyramids that share corners with five 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 five equivalent O(1)Zn2Fe3 trigonal bipyramids. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to four equivalent Fe(1) atoms. In the third O site, O(3) is bonded to two equivalent Fe(1) and two equivalent Zn(1) atoms to form OZn2Fe2 tetrahedra that share corners with two equivalent O(3)Zn2Fe2 tetrahedra, corners with ten equivalent O(1)Zn2Fe3 trigonal bipyramids, and edges with two equivalent O(1)Zn2Fe3 trigonal bipyramids. is represented by the CIF card [CIF]
data_Zn(FeO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.950
_cell_length_b   9.736
_cell_length_c   10.070
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   289.226
_cell_formula_units_Z   4
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  0.199  0.362  0.250  1.0
  Zn  Zn1  1  0.199  0.138  0.750  1.0
  Zn  Zn2  1  0.801  0.862  0.250  1.0
  Zn  Zn3  1  0.801  0.638  0.750  1.0
  Fe  Fe4  1  0.736  0.118  0.426  1.0
  Fe  Fe5  1  0.736  0.382  0.926  1.0
  Fe  Fe6  1  0.264  0.882  0.926  1.0
  Fe  Fe7  1  0.736  0.382  0.574  1.0
  Fe  Fe8  1  0.264  0.882  0.574  1.0
  Fe  Fe9  1  0.736  0.118  0.074  1.0
  Fe  Fe10  1  0.264  0.618  0.074  1.0
  Fe  Fe11  1  0.264  0.618  0.426  1.0
  O  O12  1  0.239  0.980  0.113  1.0
  O  O13  1  0.761  0.020  0.887  1.0
  O  O14  1  0.235  0.250  0.000  1.0
  O  O15  1  0.761  0.480  0.113  1.0
  O  O16  1  0.761  0.480  0.387  1.0
  O  O17  1  0.706  0.285  0.750  1.0
  O  O18  1  0.239  0.520  0.887  1.0
  O  O19  1  0.294  0.785  0.750  1.0
  O  O20  1  0.235  0.250  0.500  1.0
  O  O21  1  0.765  0.750  0.000  1.0
  O  O22  1  0.239  0.980  0.387  1.0
  O  O23  1  0.294  0.715  0.250  1.0
  O  O24  1  0.706  0.215  0.250  1.0
  O  O25  1  0.765  0.750  0.500  1.0
  O  O26  1  0.239  0.520  0.613  1.0
  O  O27  1  0.761  0.020  0.613  1.0
[/CIF]
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