The compound described by BiBO3 is Calcite-like structured and crystallizes in the monoclinic P2_1/c space group. B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. Bi(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form a mixture of distorted corner and edge-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles range from 55-58°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one B(1) and two equivalent Bi(1) atoms. In the second O site, O(2) is bonded in a distorted single-bond geometry to one B(1) and two equivalent Bi(1) atoms. In the third O site, O(3) is bonded in a distorted single-bond geometry to one B(1) and two equivalent Bi(1) atoms. is represented by the CIF card [CIF]
data_BiBO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.036
_cell_length_b   6.585
_cell_length_c   8.307
_cell_angle_alpha   109.712
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   259.342
_cell_formula_units_Z   4
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
  Bi  Bi0  1  0.745  0.261  0.377  1.0
  Bi  Bi1  1  0.245  0.739  0.123  1.0
  Bi  Bi2  1  0.255  0.739  0.623  1.0
  Bi  Bi3  1  0.755  0.261  0.877  1.0
  B  B4  1  0.754  0.789  0.388  1.0
  B  B5  1  0.254  0.211  0.112  1.0
  B  B6  1  0.246  0.211  0.612  1.0
  B  B7  1  0.746  0.789  0.888  1.0
  O  O8  1  0.474  0.763  0.866  1.0
  O  O9  1  0.974  0.237  0.634  1.0
  O  O10  1  0.526  0.237  0.134  1.0
  O  O11  1  0.026  0.763  0.366  1.0
  O  O12  1  0.884  0.927  0.827  1.0
  O  O13  1  0.384  0.073  0.673  1.0
  O  O14  1  0.116  0.073  0.173  1.0
  O  O15  1  0.616  0.927  0.327  1.0
  O  O16  1  0.877  0.663  0.966  1.0
  O  O17  1  0.377  0.337  0.534  1.0
  O  O18  1  0.123  0.337  0.034  1.0
  O  O19  1  0.623  0.663  0.466  1.0
[/CIF]
.
The compound described by BiBO3 is Calcite-like structured and crystallizes in the monoclinic P2_1/c space group. B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. Bi(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form a mixture of distorted corner and edge-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles range from 55-58°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one B(1) and two equivalent Bi(1) atoms. In the second O site, O(2) is bonded in a distorted single-bond geometry to one B(1) and two equivalent Bi(1) atoms. In the third O site, O(3) is bonded in a distorted single-bond geometry to one B(1) and two equivalent Bi(1) atoms. is represented by the CIF card [CIF]
data_BiBO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.036
_cell_length_b   6.585
_cell_length_c   8.307
_cell_angle_alpha   109.712
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   259.342
_cell_formula_units_Z   4
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
  Bi  Bi0  1  0.745  0.261  0.377  1.0
  Bi  Bi1  1  0.245  0.739  0.123  1.0
  Bi  Bi2  1  0.255  0.739  0.623  1.0
  Bi  Bi3  1  0.755  0.261  0.877  1.0
  B  B4  1  0.754  0.789  0.388  1.0
  B  B5  1  0.254  0.211  0.112  1.0
  B  B6  1  0.246  0.211  0.612  1.0
  B  B7  1  0.746  0.789  0.888  1.0
  O  O8  1  0.474  0.763  0.866  1.0
  O  O9  1  0.974  0.237  0.634  1.0
  O  O10  1  0.526  0.237  0.134  1.0
  O  O11  1  0.026  0.763  0.366  1.0
  O  O12  1  0.884  0.927  0.827  1.0
  O  O13  1  0.384  0.073  0.673  1.0
  O  O14  1  0.116  0.073  0.173  1.0
  O  O15  1  0.616  0.927  0.327  1.0
  O  O16  1  0.877  0.663  0.966  1.0
  O  O17  1  0.377  0.337  0.534  1.0
  O  O18  1  0.123  0.337  0.034  1.0
  O  O19  1  0.623  0.663  0.466  1.0
[/CIF]
.