The compound described by FeZnO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. Fe(1) is bonded to six equivalent O(1) atoms to form FeO6 octahedra that share corners with nine equivalent Zn(1)O6 pentagonal pyramids, edges with three equivalent Fe(1)O6 octahedra, and  a faceface with one Zn(1)O6 pentagonal pyramid. Zn(1) is bonded to six equivalent O(1) atoms to form distorted ZnO6 pentagonal pyramids that share corners with nine equivalent Fe(1)O6 octahedra, edges with three equivalent Zn(1)O6 pentagonal pyramids, and  a faceface with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-62°. O(1) is bonded in a distorted see-saw-like geometry to two equivalent Fe(1) and two equivalent Zn(1) atoms. is represented by the CIF file [CIF]
data_ZnFeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.497
_cell_length_b   5.497
_cell_length_c   5.497
_cell_angle_alpha   55.651
_cell_angle_beta   55.651
_cell_angle_gamma   55.651
_symmetry_Int_Tables_number   1
_cell_volume   105.605
_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  0.637  0.637  0.637  1.0
  Zn  Zn1  1  0.363  0.363  0.363  1.0
  Fe  Fe2  1  0.847  0.847  0.847  1.0
  Fe  Fe3  1  0.153  0.153  0.153  1.0
  O  O4  1  0.559  0.955  0.226  1.0
  O  O5  1  0.774  0.441  0.045  1.0
  O  O6  1  0.045  0.774  0.441  1.0
  O  O7  1  0.955  0.226  0.559  1.0
  O  O8  1  0.226  0.559  0.955  1.0
  O  O9  1  0.441  0.045  0.774  1.0
[/CIF]
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The compound described by FeZnO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. Fe(1) is bonded to six equivalent O(1) atoms to form FeO6 octahedra that share corners with nine equivalent Zn(1)O6 pentagonal pyramids, edges with three equivalent Fe(1)O6 octahedra, and  a faceface with one Zn(1)O6 pentagonal pyramid. Zn(1) is bonded to six equivalent O(1) atoms to form distorted ZnO6 pentagonal pyramids that share corners with nine equivalent Fe(1)O6 octahedra, edges with three equivalent Zn(1)O6 pentagonal pyramids, and  a faceface with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-62°. O(1) is bonded in a distorted see-saw-like geometry to two equivalent Fe(1) and two equivalent Zn(1) atoms. is represented by the CIF file [CIF]
data_ZnFeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.497
_cell_length_b   5.497
_cell_length_c   5.497
_cell_angle_alpha   55.651
_cell_angle_beta   55.651
_cell_angle_gamma   55.651
_symmetry_Int_Tables_number   1
_cell_volume   105.605
_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  0.637  0.637  0.637  1.0
  Zn  Zn1  1  0.363  0.363  0.363  1.0
  Fe  Fe2  1  0.847  0.847  0.847  1.0
  Fe  Fe3  1  0.153  0.153  0.153  1.0
  O  O4  1  0.559  0.955  0.226  1.0
  O  O5  1  0.774  0.441  0.045  1.0
  O  O6  1  0.045  0.774  0.441  1.0
  O  O7  1  0.955  0.226  0.559  1.0
  O  O8  1  0.226  0.559  0.955  1.0
  O  O9  1  0.441  0.045  0.774  1.0
[/CIF]
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