The crystal structure described by FeNiO3 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 Ni(1)O6 octahedra, edges with three equivalent Fe(1)O6 octahedra, and  a faceface with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-60°. Ni(1) is bonded to six equivalent O(1) atoms to form distorted NiO6 octahedra that share corners with nine equivalent Fe(1)O6 octahedra, edges with three equivalent Ni(1)O6 octahedra, and  a faceface with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-60°. O(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Fe(1) and two equivalent Ni(1) atoms. is represented by the CIF card [CIF]
data_FeNiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.056
_cell_length_b   5.451
_cell_length_c   5.056
_cell_angle_alpha   62.372
_cell_angle_beta   60.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   101.918
_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  0.152  0.455  0.697  1.0
  Fe  Fe1  1  0.848  0.545  0.303  1.0
  Ni  Ni2  1  0.355  0.065  0.290  1.0
  Ni  Ni3  1  0.645  0.935  0.710  1.0
  O  O4  1  0.442  0.258  0.510  1.0
  O  O5  1  0.232  0.742  0.210  1.0
  O  O6  1  0.952  0.742  0.816  1.0
  O  O7  1  0.048  0.258  0.184  1.0
  O  O8  1  0.768  0.258  0.790  1.0
  O  O9  1  0.558  0.742  0.490  1.0
[/CIF]
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The crystal structure described by FeNiO3 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 Ni(1)O6 octahedra, edges with three equivalent Fe(1)O6 octahedra, and  a faceface with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-60°. Ni(1) is bonded to six equivalent O(1) atoms to form distorted NiO6 octahedra that share corners with nine equivalent Fe(1)O6 octahedra, edges with three equivalent Ni(1)O6 octahedra, and  a faceface with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-60°. O(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Fe(1) and two equivalent Ni(1) atoms. is represented by the CIF card [CIF]
data_FeNiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.056
_cell_length_b   5.451
_cell_length_c   5.056
_cell_angle_alpha   62.372
_cell_angle_beta   60.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   101.918
_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  0.152  0.455  0.697  1.0
  Fe  Fe1  1  0.848  0.545  0.303  1.0
  Ni  Ni2  1  0.355  0.065  0.290  1.0
  Ni  Ni3  1  0.645  0.935  0.710  1.0
  O  O4  1  0.442  0.258  0.510  1.0
  O  O5  1  0.232  0.742  0.210  1.0
  O  O6  1  0.952  0.742  0.816  1.0
  O  O7  1  0.048  0.258  0.184  1.0
  O  O8  1  0.768  0.258  0.790  1.0
  O  O9  1  0.558  0.742  0.490  1.0
[/CIF]
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