The material described by Fe5ZnO8 is Spinel-like structured and crystallizes in the cubic F-43m space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to four equivalent O(1) atoms to form corner-sharing FeO4 tetrahedra. The corner-sharing octahedral tilt angles are 58°. In the second Fe site, Fe(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form FeO6 octahedra that share corners with three equivalent Fe(1)O4 tetrahedra, corners with three equivalent Zn(1)O4 tetrahedra, and edges with six equivalent Fe(2)O6 octahedra. Zn(1) is bonded to four equivalent O(2) atoms to form ZnO4 tetrahedra that share corners with twelve equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles are 57°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Fe(1) and three equivalent Fe(2) atoms to form distorted OFe4 trigonal pyramids that share corners with three equivalent O(1)Fe4 trigonal pyramids, corners with nine equivalent O(2)ZnFe3 trigonal pyramids, and edges with three equivalent O(1)Fe4 trigonal pyramids. In the second O site, O(2) is bonded to three equivalent Fe(2) and one Zn(1) atom to form distorted OZnFe3 trigonal pyramids that share corners with three equivalent O(2)ZnFe3 trigonal pyramids, corners with nine equivalent O(1)Fe4 trigonal pyramids, and edges with three equivalent O(2)ZnFe3 trigonal pyramids. is represented by the CIF file [CIF]
data_ZnFe5O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.970
_cell_length_b   5.970
_cell_length_c   5.970
_cell_angle_alpha   60.001
_cell_angle_beta   60.001
_cell_angle_gamma   60.001
_symmetry_Int_Tables_number   1
_cell_volume   150.434
_cell_formula_units_Z   1
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  0.250  0.250  0.250  1.0
  Fe  Fe1  1  0.500  0.500  0.500  1.0
  Fe  Fe2  1  0.877  0.370  0.877  1.0
  Fe  Fe3  1  0.370  0.877  0.877  1.0
  Fe  Fe4  1  0.877  0.877  0.370  1.0
  Fe  Fe5  1  0.877  0.877  0.877  1.0
  O  O6  1  0.633  0.633  0.633  1.0
  O  O7  1  0.102  0.633  0.633  1.0
  O  O8  1  0.633  0.633  0.102  1.0
  O  O9  1  0.633  0.102  0.633  1.0
  O  O10  1  0.116  0.653  0.116  1.0
  O  O11  1  0.116  0.116  0.653  1.0
  O  O12  1  0.653  0.116  0.116  1.0
  O  O13  1  0.116  0.116  0.116  1.0
[/CIF]
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The material described by Fe5ZnO8 is Spinel-like structured and crystallizes in the cubic F-43m space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to four equivalent O(1) atoms to form corner-sharing FeO4 tetrahedra. The corner-sharing octahedral tilt angles are 58°. In the second Fe site, Fe(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form FeO6 octahedra that share corners with three equivalent Fe(1)O4 tetrahedra, corners with three equivalent Zn(1)O4 tetrahedra, and edges with six equivalent Fe(2)O6 octahedra. Zn(1) is bonded to four equivalent O(2) atoms to form ZnO4 tetrahedra that share corners with twelve equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles are 57°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Fe(1) and three equivalent Fe(2) atoms to form distorted OFe4 trigonal pyramids that share corners with three equivalent O(1)Fe4 trigonal pyramids, corners with nine equivalent O(2)ZnFe3 trigonal pyramids, and edges with three equivalent O(1)Fe4 trigonal pyramids. In the second O site, O(2) is bonded to three equivalent Fe(2) and one Zn(1) atom to form distorted OZnFe3 trigonal pyramids that share corners with three equivalent O(2)ZnFe3 trigonal pyramids, corners with nine equivalent O(1)Fe4 trigonal pyramids, and edges with three equivalent O(2)ZnFe3 trigonal pyramids. is represented by the CIF file [CIF]
data_ZnFe5O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.970
_cell_length_b   5.970
_cell_length_c   5.970
_cell_angle_alpha   60.001
_cell_angle_beta   60.001
_cell_angle_gamma   60.001
_symmetry_Int_Tables_number   1
_cell_volume   150.434
_cell_formula_units_Z   1
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  0.250  0.250  0.250  1.0
  Fe  Fe1  1  0.500  0.500  0.500  1.0
  Fe  Fe2  1  0.877  0.370  0.877  1.0
  Fe  Fe3  1  0.370  0.877  0.877  1.0
  Fe  Fe4  1  0.877  0.877  0.370  1.0
  Fe  Fe5  1  0.877  0.877  0.877  1.0
  O  O6  1  0.633  0.633  0.633  1.0
  O  O7  1  0.102  0.633  0.633  1.0
  O  O8  1  0.633  0.633  0.102  1.0
  O  O9  1  0.633  0.102  0.633  1.0
  O  O10  1  0.116  0.653  0.116  1.0
  O  O11  1  0.116  0.116  0.653  1.0
  O  O12  1  0.653  0.116  0.116  1.0
  O  O13  1  0.116  0.116  0.116  1.0
[/CIF]
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