The crystal structure described by BiB3O6 crystallizes in the triclinic P1 space group. There are three inequivalent B sites. In the first B site, B(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form BO4 tetrahedra that share corners with two equivalent Bi(1)O6 pentagonal pyramids. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1), one O(4), and one O(5) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(6) atom. Bi(1) is bonded to one O(3), one O(4), two equivalent O(5), and two equivalent O(6) atoms to form distorted BiO6 pentagonal pyramids that share corners with four equivalent Bi(1)O6 pentagonal pyramids and corners with two equivalent B(1)O4 tetrahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one B(1) and one B(2) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one B(1) and one B(3) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one B(1), one B(3), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one B(1), one B(2), and one Bi(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one B(2) and two equivalent Bi(1) atoms. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one B(3) and two equivalent Bi(1) atoms. is represented by the CIF file [CIF]
data_Bi(BO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.377
_cell_length_b   4.423
_cell_length_c   6.691
_cell_angle_alpha   82.227
_cell_angle_beta   77.331
_cell_angle_gamma   69.689
_symmetry_Int_Tables_number   1
_cell_volume   118.250
_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
  Bi  Bi0  1  0.925  0.081  0.022  1.0
  B  B1  1  0.624  0.320  0.548  1.0
  B  B2  1  0.222  0.244  0.347  1.0
  B  B3  1  0.718  0.743  0.738  1.0
  O  O4  1  0.311  0.333  0.504  1.0
  O  O5  1  0.593  0.636  0.606  1.0
  O  O6  1  0.711  0.067  0.721  1.0
  O  O7  1  0.901  0.227  0.365  1.0
  O  O8  1  0.403  0.183  0.151  1.0
  O  O9  1  0.826  0.584  0.915  1.0
[/CIF]
.
The crystal structure described by BiB3O6 crystallizes in the triclinic P1 space group. There are three inequivalent B sites. In the first B site, B(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form BO4 tetrahedra that share corners with two equivalent Bi(1)O6 pentagonal pyramids. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1), one O(4), and one O(5) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(6) atom. Bi(1) is bonded to one O(3), one O(4), two equivalent O(5), and two equivalent O(6) atoms to form distorted BiO6 pentagonal pyramids that share corners with four equivalent Bi(1)O6 pentagonal pyramids and corners with two equivalent B(1)O4 tetrahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one B(1) and one B(2) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one B(1) and one B(3) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one B(1), one B(3), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one B(1), one B(2), and one Bi(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one B(2) and two equivalent Bi(1) atoms. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one B(3) and two equivalent Bi(1) atoms. is represented by the CIF file [CIF]
data_Bi(BO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.377
_cell_length_b   4.423
_cell_length_c   6.691
_cell_angle_alpha   82.227
_cell_angle_beta   77.331
_cell_angle_gamma   69.689
_symmetry_Int_Tables_number   1
_cell_volume   118.250
_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
  Bi  Bi0  1  0.925  0.081  0.022  1.0
  B  B1  1  0.624  0.320  0.548  1.0
  B  B2  1  0.222  0.244  0.347  1.0
  B  B3  1  0.718  0.743  0.738  1.0
  O  O4  1  0.311  0.333  0.504  1.0
  O  O5  1  0.593  0.636  0.606  1.0
  O  O6  1  0.711  0.067  0.721  1.0
  O  O7  1  0.901  0.227  0.365  1.0
  O  O8  1  0.403  0.183  0.151  1.0
  O  O9  1  0.826  0.584  0.915  1.0
[/CIF]
.