The material structure described by BiCoO3 is Pb(Zr_(1-x)Ti_x)O3 structured and crystallizes in the tetragonal P4mm space group. Co(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 0-18°. Bi(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to two equivalent Co(1) and two equivalent Bi(1) atoms. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Co(1) and four equivalent Bi(1) atoms. is represented by the CIF file [CIF]
data_CoBiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.724
_cell_length_b   3.724
_cell_length_c   4.021
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   55.775
_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
  Co  Co0  1  0.500  0.500  0.623  1.0
  Bi  Bi1  1  0.000  0.000  0.051  1.0
  O  O2  1  0.500  0.000  0.696  1.0
  O  O3  1  0.500  0.500  0.163  1.0
  O  O4  1  0.000  0.500  0.696  1.0
[/CIF]
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The material structure described by BiCoO3 is Pb(Zr_(1-x)Ti_x)O3 structured and crystallizes in the tetragonal P4mm space group. Co(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 0-18°. Bi(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to two equivalent Co(1) and two equivalent Bi(1) atoms. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Co(1) and four equivalent Bi(1) atoms. is represented by the CIF file [CIF]
data_CoBiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.724
_cell_length_b   3.724
_cell_length_c   4.021
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   55.775
_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
  Co  Co0  1  0.500  0.500  0.623  1.0
  Bi  Bi1  1  0.000  0.000  0.051  1.0
  O  O2  1  0.500  0.000  0.696  1.0
  O  O3  1  0.500  0.500  0.163  1.0
  O  O4  1  0.000  0.500  0.696  1.0
[/CIF]
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