The material described by BiFeO3 is Ilmenite-like structured and crystallizes in the trigonal R3c space group. Fe(1) is bonded to six equivalent O(1) atoms to form distorted corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 29°. Bi(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. O(1) is bonded in a distorted see-saw-like geometry to two equivalent Fe(1) and two equivalent Bi(1) atoms. is represented by the CIF file [CIF]
data_FeBiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.588
_cell_length_b   5.588
_cell_length_c   5.648
_cell_angle_alpha   60.351
_cell_angle_beta   119.649
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   125.366
_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  0.223  0.777  0.670  1.0
  Fe  Fe1  1  0.723  0.277  0.170  1.0
  Bi  Bi2  1  0.499  0.501  0.497  1.0
  Bi  Bi3  1  0.999  0.001  0.997  1.0
  O  O4  1  0.434  0.115  0.355  1.0
  O  O5  1  0.036  0.566  0.355  1.0
  O  O6  1  0.885  0.964  0.355  1.0
  O  O7  1  0.385  0.066  0.855  1.0
  O  O8  1  0.536  0.615  0.855  1.0
  O  O9  1  0.934  0.464  0.855  1.0
[/CIF]
.
The material described by BiFeO3 is Ilmenite-like structured and crystallizes in the trigonal R3c space group. Fe(1) is bonded to six equivalent O(1) atoms to form distorted corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 29°. Bi(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. O(1) is bonded in a distorted see-saw-like geometry to two equivalent Fe(1) and two equivalent Bi(1) atoms. is represented by the CIF file [CIF]
data_FeBiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.588
_cell_length_b   5.588
_cell_length_c   5.648
_cell_angle_alpha   60.351
_cell_angle_beta   119.649
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   125.366
_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  0.223  0.777  0.670  1.0
  Fe  Fe1  1  0.723  0.277  0.170  1.0
  Bi  Bi2  1  0.499  0.501  0.497  1.0
  Bi  Bi3  1  0.999  0.001  0.997  1.0
  O  O4  1  0.434  0.115  0.355  1.0
  O  O5  1  0.036  0.566  0.355  1.0
  O  O6  1  0.885  0.964  0.355  1.0
  O  O7  1  0.385  0.066  0.855  1.0
  O  O8  1  0.536  0.615  0.855  1.0
  O  O9  1  0.934  0.464  0.855  1.0
[/CIF]
.