The material structure described by ZnFe2O4 crystallizes in the monoclinic P2_1 space group. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(3), two equivalent O(5), and two equivalent O(7) atoms to form FeO6 octahedra that share corners with three equivalent Zn(1)O6 pentagonal pyramids, edges with two equivalent Fe(1)O6 octahedra, edges with four equivalent Fe(3)O6 octahedra, and  an edgeedge with one Zn(1)O6 pentagonal pyramid. In the second Fe site, Fe(2) is bonded to one O(2), one O(4), two equivalent O(6), and two equivalent O(8) atoms to form FeO6 octahedra that share corners with three equivalent Zn(1)O6 pentagonal pyramids, edges with two equivalent Fe(2)O6 octahedra, edges with four equivalent Fe(4)O6 octahedra, and  an edgeedge with one Zn(1)O6 pentagonal pyramid. In the third Fe site, Fe(3) is bonded to one O(5), one O(7), two equivalent O(1), and two equivalent O(3) atoms to form FeO6 octahedra that share edges with two equivalent Fe(3)O6 octahedra, edges with four equivalent Fe(1)O6 octahedra, and edges with two equivalent Zn(1)O6 pentagonal pyramids. In the fourth Fe site, Fe(4) is bonded to one O(6), one O(8), two equivalent O(2), and two equivalent O(4) atoms to form FeO6 octahedra that share edges with two equivalent Fe(4)O6 octahedra, edges with four equivalent Fe(2)O6 octahedra, and edges with two equivalent Zn(1)O6 pentagonal pyramids. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form distorted ZnO6 pentagonal pyramids that share corners with three equivalent Fe(1)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-20°. In the second Zn site, Zn(2) is bonded in a 6-coordinate geometry to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Fe(1), two equivalent Fe(3), and one Zn(1) atom. In the second O site, O(2) is bonded to one Fe(2), two equivalent Fe(4), and one Zn(1) atom to form OZnFe3 trigonal pyramids that share  a cornercorner with one O(5)Zn2Fe3 trigonal bipyramid,  a cornercorner with one O(6)Zn2Fe3 trigonal bipyramid,  a cornercorner with one O(7)Zn2Fe3 trigonal bipyramid,  a cornercorner with one O(8)Zn2Fe3 trigonal bipyramid, corners with two equivalent O(2)ZnFe3 trigonal pyramids, corners with three equivalent O(4)ZnFe3 trigonal pyramids, edges with two equivalent O(6)Zn2Fe3 trigonal bipyramids, edges with two equivalent O(8)Zn2Fe3 trigonal bipyramids, and  an edgeedge with one O(4)ZnFe3 trigonal pyramid. In the third O site, O(3) is bonded to one Fe(1), two equivalent Fe(3), and one Zn(2) atom to form OZnFe3 trigonal pyramids that share  a cornercorner with one O(5)Zn2Fe3 trigonal bipyramid,  a cornercorner with one O(6)Zn2Fe3 trigonal bipyramid,  a cornercorner with one O(7)Zn2Fe3 trigonal bipyramid,  a cornercorner with one O(8)Zn2Fe3 trigonal bipyramid,  a cornercorner with one O(4)ZnFe3 trigonal pyramid, corners with two equivalent O(3)ZnFe3 trigonal pyramids, edges with two equivalent O(5)Zn2Fe3 trigonal bipyramids, and edges with two equivalent O(7)Zn2Fe3 trigonal bipyramids. In the fourth O site, O(4) is bonded to one Fe(2), two equivalent Fe(4), and one Zn(2) atom to form OZnFe3 trigonal pyramids that share  a cornercorner with one O(5)Zn2Fe3 trigonal bipyramid,  a cornercorner with one O(6)Zn2Fe3 trigonal bipyramid,  a cornercorner with one O(7)Zn2Fe3 trigonal bipyramid,  a cornercorner with one O(8)Zn2Fe3 trigonal bipyramid,  a cornercorner with one O(3)ZnFe3 trigonal pyramid, corners with two equivalent O(4)ZnFe3 trigonal pyramids, corners with three equivalent O(2)ZnFe3 trigonal pyramids, edges with two equivalent O(6)Zn2Fe3 trigonal bipyramids, edges with two equivalent O(8)Zn2Fe3 trigonal bipyramids, and  an edgeedge with one O(2)ZnFe3 trigonal pyramid. In the fifth O site, O(5) is bonded to one Fe(3), two equivalent Fe(1), one Zn(1), and one Zn(2) atom to form OZn2Fe3 trigonal bipyramids that share  a cornercorner with one O(7)Zn2Fe3 trigonal bipyramid, corners with two equivalent O(5)Zn2Fe3 trigonal bipyramids, corners with two equivalent O(6)Zn2Fe3 trigonal bipyramids,  a cornercorner with one O(2)ZnFe3 trigonal pyramid,  a cornercorner with one O(3)ZnFe3 trigonal pyramid,  a cornercorner with one O(4)ZnFe3 trigonal pyramid,  an edgeedge with one O(8)Zn2Fe3 trigonal bipyramid, edges with three equivalent O(7)Zn2Fe3 trigonal bipyramids, and edges with two equivalent O(3)ZnFe3 trigonal pyramids. In the sixth O site, O(6) is bonded to one Fe(4), two equivalent Fe(2), one Zn(1), and one Zn(2) atom to form OZn2Fe3 trigonal bipyramids that share  a cornercorner with one O(8)Zn2Fe3 trigonal bipyramid, corners with two equivalent O(5)Zn2Fe3 trigonal bipyramids, corners with two equivalent O(6)Zn2Fe3 trigonal bipyramids,  a cornercorner with one O(2)ZnFe3 trigonal pyramid,  a cornercorner with one O(3)ZnFe3 trigonal pyramid,  a cornercorner with one O(4)ZnFe3 trigonal pyramid,  an edgeedge with one O(7)Zn2Fe3 trigonal bipyramid, edges with three equivalent O(8)Zn2Fe3 trigonal bipyramids, edges with two equivalent O(2)ZnFe3 trigonal pyramids, and edges with two equivalent O(4)ZnFe3 trigonal pyramids. In the seventh O site, O(7) is bonded to one Fe(3), two equivalent Fe(1), one Zn(1), and one Zn(2) atom to form OZn2Fe3 trigonal bipyramids that share  a cornercorner with one O(5)Zn2Fe3 trigonal bipyramid, corners with two equivalent O(7)Zn2Fe3 trigonal bipyramids, corners with two equivalent O(8)Zn2Fe3 trigonal bipyramids,  a cornercorner with one O(2)ZnFe3 trigonal pyramid,  a cornercorner with one O(3)ZnFe3 trigonal pyramid,  a cornercorner with one O(4)ZnFe3 trigonal pyramid,  an edgeedge with one O(6)Zn2Fe3 trigonal bipyramid, edges with three equivalent O(5)Zn2Fe3 trigonal bipyramids, and edges with two equivalent O(3)ZnFe3 trigonal pyramids. In the eighth O site, O(8) is bonded to one Fe(4), two equivalent Fe(2), one Zn(1), and one Zn(2) atom to form OZn2Fe3 trigonal bipyramids that share  a cornercorner with one O(6)Zn2Fe3 trigonal bipyramid, corners with two equivalent O(7)Zn2Fe3 trigonal bipyramids, corners with two equivalent O(8)Zn2Fe3 trigonal bipyramids,  a cornercorner with one O(2)ZnFe3 trigonal pyramid,  a cornercorner with one O(3)ZnFe3 trigonal pyramid,  a cornercorner with one O(4)ZnFe3 trigonal pyramid,  an edgeedge with one O(5)Zn2Fe3 trigonal bipyramid, edges with three equivalent O(6)Zn2Fe3 trigonal bipyramids, edges with two equivalent O(2)ZnFe3 trigonal pyramids, and edges with two equivalent O(4)ZnFe3 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn(FeO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.769
_cell_length_b   4.977
_cell_length_c   10.217
_cell_angle_alpha   89.030
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   293.352
_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  0.752  0.649  0.748  1.0
  Zn  Zn1  1  0.252  0.351  0.252  1.0
  Zn  Zn2  1  0.749  0.975  0.249  1.0
  Zn  Zn3  1  0.249  0.025  0.751  1.0
  Fe  Fe4  1  0.249  0.989  0.490  1.0
  Fe  Fe5  1  0.251  0.988  0.016  1.0
  Fe  Fe6  1  0.749  0.011  0.510  1.0
  Fe  Fe7  1  0.751  0.012  0.984  1.0
  Fe  Fe8  1  0.500  0.500  0.500  1.0
  Fe  Fe9  1  0.999  0.499  0.999  1.0
  Fe  Fe10  1  0.000  0.500  0.500  1.0
  Fe  Fe11  1  0.499  0.501  0.001  1.0
  O  O12  1  0.247  0.648  0.396  1.0
  O  O13  1  0.252  0.642  0.102  1.0
  O  O14  1  0.747  0.352  0.604  1.0
  O  O15  1  0.752  0.358  0.898  1.0
  O  O16  1  0.252  0.305  0.597  1.0
  O  O17  1  0.247  0.312  0.907  1.0
  O  O18  1  0.752  0.695  0.403  1.0
  O  O19  1  0.747  0.688  0.093  1.0
  O  O20  1  0.503  0.829  0.609  1.0
  O  O21  1  0.003  0.823  0.880  1.0
  O  O22  1  0.003  0.171  0.391  1.0
  O  O23  1  0.503  0.177  0.120  1.0
  O  O24  1  0.497  0.169  0.392  1.0
  O  O25  1  0.996  0.165  0.111  1.0
  O  O26  1  0.997  0.831  0.608  1.0
  O  O27  1  0.496  0.835  0.889  1.0
[/CIF]
.
The material structure described by ZnFe2O4 crystallizes in the monoclinic P2_1 space group. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(3), two equivalent O(5), and two equivalent O(7) atoms to form FeO6 octahedra that share corners with three equivalent Zn(1)O6 pentagonal pyramids, edges with two equivalent Fe(1)O6 octahedra, edges with four equivalent Fe(3)O6 octahedra, and  an edgeedge with one Zn(1)O6 pentagonal pyramid. In the second Fe site, Fe(2) is bonded to one O(2), one O(4), two equivalent O(6), and two equivalent O(8) atoms to form FeO6 octahedra that share corners with three equivalent Zn(1)O6 pentagonal pyramids, edges with two equivalent Fe(2)O6 octahedra, edges with four equivalent Fe(4)O6 octahedra, and  an edgeedge with one Zn(1)O6 pentagonal pyramid. In the third Fe site, Fe(3) is bonded to one O(5), one O(7), two equivalent O(1), and two equivalent O(3) atoms to form FeO6 octahedra that share edges with two equivalent Fe(3)O6 octahedra, edges with four equivalent Fe(1)O6 octahedra, and edges with two equivalent Zn(1)O6 pentagonal pyramids. In the fourth Fe site, Fe(4) is bonded to one O(6), one O(8), two equivalent O(2), and two equivalent O(4) atoms to form FeO6 octahedra that share edges with two equivalent Fe(4)O6 octahedra, edges with four equivalent Fe(2)O6 octahedra, and edges with two equivalent Zn(1)O6 pentagonal pyramids. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form distorted ZnO6 pentagonal pyramids that share corners with three equivalent Fe(1)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-20°. In the second Zn site, Zn(2) is bonded in a 6-coordinate geometry to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Fe(1), two equivalent Fe(3), and one Zn(1) atom. In the second O site, O(2) is bonded to one Fe(2), two equivalent Fe(4), and one Zn(1) atom to form OZnFe3 trigonal pyramids that share  a cornercorner with one O(5)Zn2Fe3 trigonal bipyramid,  a cornercorner with one O(6)Zn2Fe3 trigonal bipyramid,  a cornercorner with one O(7)Zn2Fe3 trigonal bipyramid,  a cornercorner with one O(8)Zn2Fe3 trigonal bipyramid, corners with two equivalent O(2)ZnFe3 trigonal pyramids, corners with three equivalent O(4)ZnFe3 trigonal pyramids, edges with two equivalent O(6)Zn2Fe3 trigonal bipyramids, edges with two equivalent O(8)Zn2Fe3 trigonal bipyramids, and  an edgeedge with one O(4)ZnFe3 trigonal pyramid. In the third O site, O(3) is bonded to one Fe(1), two equivalent Fe(3), and one Zn(2) atom to form OZnFe3 trigonal pyramids that share  a cornercorner with one O(5)Zn2Fe3 trigonal bipyramid,  a cornercorner with one O(6)Zn2Fe3 trigonal bipyramid,  a cornercorner with one O(7)Zn2Fe3 trigonal bipyramid,  a cornercorner with one O(8)Zn2Fe3 trigonal bipyramid,  a cornercorner with one O(4)ZnFe3 trigonal pyramid, corners with two equivalent O(3)ZnFe3 trigonal pyramids, edges with two equivalent O(5)Zn2Fe3 trigonal bipyramids, and edges with two equivalent O(7)Zn2Fe3 trigonal bipyramids. In the fourth O site, O(4) is bonded to one Fe(2), two equivalent Fe(4), and one Zn(2) atom to form OZnFe3 trigonal pyramids that share  a cornercorner with one O(5)Zn2Fe3 trigonal bipyramid,  a cornercorner with one O(6)Zn2Fe3 trigonal bipyramid,  a cornercorner with one O(7)Zn2Fe3 trigonal bipyramid,  a cornercorner with one O(8)Zn2Fe3 trigonal bipyramid,  a cornercorner with one O(3)ZnFe3 trigonal pyramid, corners with two equivalent O(4)ZnFe3 trigonal pyramids, corners with three equivalent O(2)ZnFe3 trigonal pyramids, edges with two equivalent O(6)Zn2Fe3 trigonal bipyramids, edges with two equivalent O(8)Zn2Fe3 trigonal bipyramids, and  an edgeedge with one O(2)ZnFe3 trigonal pyramid. In the fifth O site, O(5) is bonded to one Fe(3), two equivalent Fe(1), one Zn(1), and one Zn(2) atom to form OZn2Fe3 trigonal bipyramids that share  a cornercorner with one O(7)Zn2Fe3 trigonal bipyramid, corners with two equivalent O(5)Zn2Fe3 trigonal bipyramids, corners with two equivalent O(6)Zn2Fe3 trigonal bipyramids,  a cornercorner with one O(2)ZnFe3 trigonal pyramid,  a cornercorner with one O(3)ZnFe3 trigonal pyramid,  a cornercorner with one O(4)ZnFe3 trigonal pyramid,  an edgeedge with one O(8)Zn2Fe3 trigonal bipyramid, edges with three equivalent O(7)Zn2Fe3 trigonal bipyramids, and edges with two equivalent O(3)ZnFe3 trigonal pyramids. In the sixth O site, O(6) is bonded to one Fe(4), two equivalent Fe(2), one Zn(1), and one Zn(2) atom to form OZn2Fe3 trigonal bipyramids that share  a cornercorner with one O(8)Zn2Fe3 trigonal bipyramid, corners with two equivalent O(5)Zn2Fe3 trigonal bipyramids, corners with two equivalent O(6)Zn2Fe3 trigonal bipyramids,  a cornercorner with one O(2)ZnFe3 trigonal pyramid,  a cornercorner with one O(3)ZnFe3 trigonal pyramid,  a cornercorner with one O(4)ZnFe3 trigonal pyramid,  an edgeedge with one O(7)Zn2Fe3 trigonal bipyramid, edges with three equivalent O(8)Zn2Fe3 trigonal bipyramids, edges with two equivalent O(2)ZnFe3 trigonal pyramids, and edges with two equivalent O(4)ZnFe3 trigonal pyramids. In the seventh O site, O(7) is bonded to one Fe(3), two equivalent Fe(1), one Zn(1), and one Zn(2) atom to form OZn2Fe3 trigonal bipyramids that share  a cornercorner with one O(5)Zn2Fe3 trigonal bipyramid, corners with two equivalent O(7)Zn2Fe3 trigonal bipyramids, corners with two equivalent O(8)Zn2Fe3 trigonal bipyramids,  a cornercorner with one O(2)ZnFe3 trigonal pyramid,  a cornercorner with one O(3)ZnFe3 trigonal pyramid,  a cornercorner with one O(4)ZnFe3 trigonal pyramid,  an edgeedge with one O(6)Zn2Fe3 trigonal bipyramid, edges with three equivalent O(5)Zn2Fe3 trigonal bipyramids, and edges with two equivalent O(3)ZnFe3 trigonal pyramids. In the eighth O site, O(8) is bonded to one Fe(4), two equivalent Fe(2), one Zn(1), and one Zn(2) atom to form OZn2Fe3 trigonal bipyramids that share  a cornercorner with one O(6)Zn2Fe3 trigonal bipyramid, corners with two equivalent O(7)Zn2Fe3 trigonal bipyramids, corners with two equivalent O(8)Zn2Fe3 trigonal bipyramids,  a cornercorner with one O(2)ZnFe3 trigonal pyramid,  a cornercorner with one O(3)ZnFe3 trigonal pyramid,  a cornercorner with one O(4)ZnFe3 trigonal pyramid,  an edgeedge with one O(5)Zn2Fe3 trigonal bipyramid, edges with three equivalent O(6)Zn2Fe3 trigonal bipyramids, edges with two equivalent O(2)ZnFe3 trigonal pyramids, and edges with two equivalent O(4)ZnFe3 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn(FeO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.769
_cell_length_b   4.977
_cell_length_c   10.217
_cell_angle_alpha   89.030
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   293.352
_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  0.752  0.649  0.748  1.0
  Zn  Zn1  1  0.252  0.351  0.252  1.0
  Zn  Zn2  1  0.749  0.975  0.249  1.0
  Zn  Zn3  1  0.249  0.025  0.751  1.0
  Fe  Fe4  1  0.249  0.989  0.490  1.0
  Fe  Fe5  1  0.251  0.988  0.016  1.0
  Fe  Fe6  1  0.749  0.011  0.510  1.0
  Fe  Fe7  1  0.751  0.012  0.984  1.0
  Fe  Fe8  1  0.500  0.500  0.500  1.0
  Fe  Fe9  1  0.999  0.499  0.999  1.0
  Fe  Fe10  1  0.000  0.500  0.500  1.0
  Fe  Fe11  1  0.499  0.501  0.001  1.0
  O  O12  1  0.247  0.648  0.396  1.0
  O  O13  1  0.252  0.642  0.102  1.0
  O  O14  1  0.747  0.352  0.604  1.0
  O  O15  1  0.752  0.358  0.898  1.0
  O  O16  1  0.252  0.305  0.597  1.0
  O  O17  1  0.247  0.312  0.907  1.0
  O  O18  1  0.752  0.695  0.403  1.0
  O  O19  1  0.747  0.688  0.093  1.0
  O  O20  1  0.503  0.829  0.609  1.0
  O  O21  1  0.003  0.823  0.880  1.0
  O  O22  1  0.003  0.171  0.391  1.0
  O  O23  1  0.503  0.177  0.120  1.0
  O  O24  1  0.497  0.169  0.392  1.0
  O  O25  1  0.996  0.165  0.111  1.0
  O  O26  1  0.997  0.831  0.608  1.0
  O  O27  1  0.496  0.835  0.889  1.0
[/CIF]
.