The material described by Fe4NiZnO8 is Spinel-derived structured and crystallizes in the trigonal R3m space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form FeO6 octahedra that share corners with three equivalent Fe(2)O4 tetrahedra, corners with three equivalent Zn(1)O4 tetrahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. In the second Fe site, Fe(2) is bonded to one O(3) and three equivalent O(4) atoms to form FeO4 tetrahedra that share corners with three equivalent Ni(1)O6 octahedra and corners with nine equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-58°. Ni(1) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form NiO6 octahedra that share corners with three equivalent Fe(2)O4 tetrahedra, corners with three equivalent Zn(1)O4 tetrahedra, and edges with six equivalent Fe(1)O6 octahedra. Zn(1) is bonded to one O(1) and three equivalent O(2) atoms to form ZnO4 tetrahedra that share corners with three equivalent Ni(1)O6 octahedra and corners with nine equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-58°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Fe(1) and one Zn(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Fe(1), one Ni(1), and one Zn(1) atom. In the third O site, O(3) is bonded in a distorted trigonal pyramidal geometry to one Fe(2) and three equivalent Fe(1) atoms. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Fe(2), two equivalent Fe(1), and one Ni(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZnFe4NiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.969
_cell_length_b   5.969
_cell_length_c   5.925
_cell_angle_alpha   90.000
_cell_angle_beta   59.755
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   148.743
_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  0.995  0.998  0.007  1.0
  Fe  Fe1  1  0.255  0.373  0.372  1.0
  Fe  Fe2  1  0.255  0.882  0.372  1.0
  Fe  Fe3  1  0.746  0.373  0.372  1.0
  Fe  Fe4  1  0.504  0.752  0.744  1.0
  Ni  Ni5  1  0.749  0.374  0.877  1.0
  O  O6  1  0.267  0.133  0.600  1.0
  O  O7  1  0.728  0.132  0.140  1.0
  O  O8  1  0.728  0.596  0.140  1.0
  O  O9  1  0.263  0.132  0.140  1.0
  O  O10  1  0.237  0.618  0.145  1.0
  O  O11  1  0.765  0.621  0.614  1.0
  O  O12  1  0.765  0.145  0.614  1.0
  O  O13  1  0.242  0.621  0.614  1.0
[/CIF]
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The material described by Fe4NiZnO8 is Spinel-derived structured and crystallizes in the trigonal R3m space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form FeO6 octahedra that share corners with three equivalent Fe(2)O4 tetrahedra, corners with three equivalent Zn(1)O4 tetrahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. In the second Fe site, Fe(2) is bonded to one O(3) and three equivalent O(4) atoms to form FeO4 tetrahedra that share corners with three equivalent Ni(1)O6 octahedra and corners with nine equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-58°. Ni(1) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form NiO6 octahedra that share corners with three equivalent Fe(2)O4 tetrahedra, corners with three equivalent Zn(1)O4 tetrahedra, and edges with six equivalent Fe(1)O6 octahedra. Zn(1) is bonded to one O(1) and three equivalent O(2) atoms to form ZnO4 tetrahedra that share corners with three equivalent Ni(1)O6 octahedra and corners with nine equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-58°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Fe(1) and one Zn(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Fe(1), one Ni(1), and one Zn(1) atom. In the third O site, O(3) is bonded in a distorted trigonal pyramidal geometry to one Fe(2) and three equivalent Fe(1) atoms. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Fe(2), two equivalent Fe(1), and one Ni(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZnFe4NiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.969
_cell_length_b   5.969
_cell_length_c   5.925
_cell_angle_alpha   90.000
_cell_angle_beta   59.755
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   148.743
_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  0.995  0.998  0.007  1.0
  Fe  Fe1  1  0.255  0.373  0.372  1.0
  Fe  Fe2  1  0.255  0.882  0.372  1.0
  Fe  Fe3  1  0.746  0.373  0.372  1.0
  Fe  Fe4  1  0.504  0.752  0.744  1.0
  Ni  Ni5  1  0.749  0.374  0.877  1.0
  O  O6  1  0.267  0.133  0.600  1.0
  O  O7  1  0.728  0.132  0.140  1.0
  O  O8  1  0.728  0.596  0.140  1.0
  O  O9  1  0.263  0.132  0.140  1.0
  O  O10  1  0.237  0.618  0.145  1.0
  O  O11  1  0.765  0.621  0.614  1.0
  O  O12  1  0.765  0.145  0.614  1.0
  O  O13  1  0.242  0.621  0.614  1.0
[/CIF]
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