The structure described by ZnFeO2 crystallizes in the triclinic P-1 space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(3) atoms. In the second Fe site, Fe(2) is bonded to one O(1), two equivalent O(2), and two equivalent O(4) atoms to form distorted FeO5 trigonal bipyramids that share corners with two equivalent Zn(1)O5 trigonal bipyramids, edges with two equivalent Fe(2)O5 trigonal bipyramids, and  a faceface with one Zn(1)O5 trigonal bipyramid. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1), two equivalent O(3), and two equivalent O(4) atoms to form distorted ZnO5 trigonal bipyramids that share corners with two equivalent Fe(2)O5 trigonal bipyramids, edges with two equivalent Zn(1)O5 trigonal bipyramids, and  a faceface with one Fe(2)O5 trigonal bipyramid. In the second Zn site, Zn(2) is bonded in a rectangular see-saw-like geometry to one O(3), one O(4), and two equivalent O(2) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Fe(2), two equivalent Fe(1), and one Zn(1) atom to form distorted OZnFe3 tetrahedra that share corners with two equivalent O(1)ZnFe3 tetrahedra, corners with four equivalent O(2)Zn2Fe3 trigonal bipyramids, corners with four equivalent O(3)Zn3Fe2 trigonal bipyramids, and  an edgeedge with one O(3)Zn3Fe2 trigonal bipyramid. In the second O site, O(2) is bonded to one Fe(1), two equivalent Fe(2), and two equivalent Zn(2) atoms to form OZn2Fe3 trigonal bipyramids that share corners with four equivalent O(1)ZnFe3 tetrahedra, edges with two equivalent O(2)Zn2Fe3 trigonal bipyramids, and edges with two equivalent O(3)Zn3Fe2 trigonal bipyramids. In the third O site, O(3) is bonded to two equivalent Fe(1), one Zn(2), and two equivalent Zn(1) atoms to form distorted OZn3Fe2 trigonal bipyramids that share corners with four equivalent O(1)ZnFe3 tetrahedra,  an edgeedge with one O(1)ZnFe3 tetrahedra, edges with two equivalent O(2)Zn2Fe3 trigonal bipyramids, and edges with two equivalent O(3)Zn3Fe2 trigonal bipyramids. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Fe(2), one Zn(2), and two equivalent Zn(1) atoms. is represented by the CIF card [CIF]
data_ZnFeO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.011
_cell_length_b   8.188
_cell_length_c   8.422
_cell_angle_alpha   89.665
_cell_angle_beta   99.385
_cell_angle_gamma   99.959
_symmetry_Int_Tables_number   1
_cell_volume   201.727
_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  0.637  0.082  0.752  1.0
  Zn  Zn1  1  0.363  0.918  0.248  1.0
  Zn  Zn2  1  0.911  0.740  0.589  1.0
  Zn  Zn3  1  0.089  0.260  0.411  1.0
  Fe  Fe4  1  0.380  0.238  0.086  1.0
  Fe  Fe5  1  0.811  0.416  0.735  1.0
  Fe  Fe6  1  0.189  0.584  0.265  1.0
  Fe  Fe7  1  0.620  0.762  0.914  1.0
  O  O8  1  0.178  0.737  0.070  1.0
  O  O9  1  0.608  0.401  0.301  1.0
  O  O10  1  0.392  0.599  0.699  1.0
  O  O11  1  0.822  0.263  0.930  1.0
  O  O12  1  0.944  0.093  0.233  1.0
  O  O13  1  0.171  0.237  0.638  1.0
  O  O14  1  0.056  0.907  0.767  1.0
  O  O15  1  0.829  0.763  0.362  1.0
[/CIF]
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The structure described by ZnFeO2 crystallizes in the triclinic P-1 space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(3) atoms. In the second Fe site, Fe(2) is bonded to one O(1), two equivalent O(2), and two equivalent O(4) atoms to form distorted FeO5 trigonal bipyramids that share corners with two equivalent Zn(1)O5 trigonal bipyramids, edges with two equivalent Fe(2)O5 trigonal bipyramids, and  a faceface with one Zn(1)O5 trigonal bipyramid. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1), two equivalent O(3), and two equivalent O(4) atoms to form distorted ZnO5 trigonal bipyramids that share corners with two equivalent Fe(2)O5 trigonal bipyramids, edges with two equivalent Zn(1)O5 trigonal bipyramids, and  a faceface with one Fe(2)O5 trigonal bipyramid. In the second Zn site, Zn(2) is bonded in a rectangular see-saw-like geometry to one O(3), one O(4), and two equivalent O(2) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Fe(2), two equivalent Fe(1), and one Zn(1) atom to form distorted OZnFe3 tetrahedra that share corners with two equivalent O(1)ZnFe3 tetrahedra, corners with four equivalent O(2)Zn2Fe3 trigonal bipyramids, corners with four equivalent O(3)Zn3Fe2 trigonal bipyramids, and  an edgeedge with one O(3)Zn3Fe2 trigonal bipyramid. In the second O site, O(2) is bonded to one Fe(1), two equivalent Fe(2), and two equivalent Zn(2) atoms to form OZn2Fe3 trigonal bipyramids that share corners with four equivalent O(1)ZnFe3 tetrahedra, edges with two equivalent O(2)Zn2Fe3 trigonal bipyramids, and edges with two equivalent O(3)Zn3Fe2 trigonal bipyramids. In the third O site, O(3) is bonded to two equivalent Fe(1), one Zn(2), and two equivalent Zn(1) atoms to form distorted OZn3Fe2 trigonal bipyramids that share corners with four equivalent O(1)ZnFe3 tetrahedra,  an edgeedge with one O(1)ZnFe3 tetrahedra, edges with two equivalent O(2)Zn2Fe3 trigonal bipyramids, and edges with two equivalent O(3)Zn3Fe2 trigonal bipyramids. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Fe(2), one Zn(2), and two equivalent Zn(1) atoms. is represented by the CIF card [CIF]
data_ZnFeO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.011
_cell_length_b   8.188
_cell_length_c   8.422
_cell_angle_alpha   89.665
_cell_angle_beta   99.385
_cell_angle_gamma   99.959
_symmetry_Int_Tables_number   1
_cell_volume   201.727
_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  0.637  0.082  0.752  1.0
  Zn  Zn1  1  0.363  0.918  0.248  1.0
  Zn  Zn2  1  0.911  0.740  0.589  1.0
  Zn  Zn3  1  0.089  0.260  0.411  1.0
  Fe  Fe4  1  0.380  0.238  0.086  1.0
  Fe  Fe5  1  0.811  0.416  0.735  1.0
  Fe  Fe6  1  0.189  0.584  0.265  1.0
  Fe  Fe7  1  0.620  0.762  0.914  1.0
  O  O8  1  0.178  0.737  0.070  1.0
  O  O9  1  0.608  0.401  0.301  1.0
  O  O10  1  0.392  0.599  0.699  1.0
  O  O11  1  0.822  0.263  0.930  1.0
  O  O12  1  0.944  0.093  0.233  1.0
  O  O13  1  0.171  0.237  0.638  1.0
  O  O14  1  0.056  0.907  0.767  1.0
  O  O15  1  0.829  0.763  0.362  1.0
[/CIF]
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