The crystal structure described by NiFe2O4 is Spinel structured and crystallizes in the cubic Fd-3m space group. Fe(1) is bonded to six equivalent O(1) atoms to form FeO6 octahedra that share corners with six equivalent Ni(1)O4 tetrahedra and edges with six equivalent Fe(1)O6 octahedra. Ni(1) is bonded to four equivalent O(1) atoms to form NiO4 tetrahedra that share corners with twelve equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles are 58°. O(1) is bonded to three equivalent Fe(1) and one Ni(1) atom to form a mixture of distorted corner and edge-sharing OFe3Ni trigonal pyramids. is represented by the CIF card [CIF]
data_Fe2NiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.996
_cell_length_b   5.996
_cell_length_c   5.996
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   152.451
_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
  Fe  Fe0  1  0.625  0.125  0.125  1.0
  Fe  Fe1  1  0.125  0.625  0.125  1.0
  Fe  Fe2  1  0.125  0.125  0.625  1.0
  Fe  Fe3  1  0.125  0.125  0.125  1.0
  Ni  Ni4  1  0.500  0.500  0.500  1.0
  Ni  Ni5  1  0.750  0.750  0.750  1.0
  O  O6  1  0.902  0.366  0.366  1.0
  O  O7  1  0.366  0.902  0.366  1.0
  O  O8  1  0.366  0.366  0.902  1.0
  O  O9  1  0.366  0.366  0.366  1.0
  O  O10  1  0.348  0.884  0.884  1.0
  O  O11  1  0.884  0.348  0.884  1.0
  O  O12  1  0.884  0.884  0.348  1.0
  O  O13  1  0.884  0.884  0.884  1.0
[/CIF]
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The crystal structure described by NiFe2O4 is Spinel structured and crystallizes in the cubic Fd-3m space group. Fe(1) is bonded to six equivalent O(1) atoms to form FeO6 octahedra that share corners with six equivalent Ni(1)O4 tetrahedra and edges with six equivalent Fe(1)O6 octahedra. Ni(1) is bonded to four equivalent O(1) atoms to form NiO4 tetrahedra that share corners with twelve equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles are 58°. O(1) is bonded to three equivalent Fe(1) and one Ni(1) atom to form a mixture of distorted corner and edge-sharing OFe3Ni trigonal pyramids. is represented by the CIF card [CIF]
data_Fe2NiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.996
_cell_length_b   5.996
_cell_length_c   5.996
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   152.451
_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
  Fe  Fe0  1  0.625  0.125  0.125  1.0
  Fe  Fe1  1  0.125  0.625  0.125  1.0
  Fe  Fe2  1  0.125  0.125  0.625  1.0
  Fe  Fe3  1  0.125  0.125  0.125  1.0
  Ni  Ni4  1  0.500  0.500  0.500  1.0
  Ni  Ni5  1  0.750  0.750  0.750  1.0
  O  O6  1  0.902  0.366  0.366  1.0
  O  O7  1  0.366  0.902  0.366  1.0
  O  O8  1  0.366  0.366  0.902  1.0
  O  O9  1  0.366  0.366  0.366  1.0
  O  O10  1  0.348  0.884  0.884  1.0
  O  O11  1  0.884  0.348  0.884  1.0
  O  O12  1  0.884  0.884  0.348  1.0
  O  O13  1  0.884  0.884  0.884  1.0
[/CIF]
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