The compound described by BiB3O6 crystallizes in the monoclinic P2_1/c 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(5), and one O(6) atom to form corner-sharing BO4 tetrahedra. In the second B site, B(2) is bonded to one O(1), one O(3), one O(4), and one O(6) atom to form corner-sharing BO4 tetrahedra. In the third B site, B(3) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form corner-sharing BO4 tetrahedra. Bi(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one B(1), one B(2), and one Bi(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one B(1), one B(3), and one Bi(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one B(2) and two equivalent Bi(1) atoms. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one B(2), one B(3), and one Bi(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one B(1), one B(3), and one Bi(1) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one B(1), one B(2), and one B(3) atom. is represented by the CIF card [CIF]
data_Bi(BO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.715
_cell_length_b   4.260
_cell_length_c   7.258
_cell_angle_alpha   88.916
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   362.182
_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  0.615  0.165  0.630  1.0
  Bi  Bi1  1  0.115  0.835  0.870  1.0
  Bi  Bi2  1  0.885  0.165  0.130  1.0
  Bi  Bi3  1  0.385  0.835  0.370  1.0
  B  B4  1  0.093  0.802  0.369  1.0
  B  B5  1  0.162  0.320  0.207  1.0
  B  B6  1  0.125  0.311  0.567  1.0
  B  B7  1  0.338  0.320  0.707  1.0
  B  B8  1  0.407  0.802  0.869  1.0
  B  B9  1  0.625  0.689  0.933  1.0
  B  B10  1  0.662  0.680  0.293  1.0
  B  B11  1  0.875  0.689  0.433  1.0
  B  B12  1  0.907  0.198  0.631  1.0
  B  B13  1  0.593  0.198  0.131  1.0
  B  B14  1  0.375  0.311  0.067  1.0
  B  B15  1  0.838  0.680  0.793  1.0
  O  O16  1  0.841  0.342  0.773  1.0
  O  O17  1  0.884  0.355  0.457  1.0
  O  O18  1  0.420  0.232  0.561  1.0
  O  O19  1  0.080  0.232  0.061  1.0
  O  O20  1  0.778  0.788  0.322  1.0
  O  O21  1  0.384  0.645  0.043  1.0
  O  O22  1  0.616  0.355  0.957  1.0
  O  O23  1  0.659  0.342  0.273  1.0
  O  O24  1  0.580  0.768  0.439  1.0
  O  O25  1  0.471  0.193  0.180  1.0
  O  O26  1  0.159  0.658  0.227  1.0
  O  O27  1  0.373  0.150  0.884  1.0
  O  O28  1  0.116  0.645  0.543  1.0
  O  O29  1  0.529  0.807  0.820  1.0
  O  O30  1  0.971  0.807  0.320  1.0
  O  O31  1  0.920  0.768  0.939  1.0
  O  O32  1  0.278  0.212  0.178  1.0
  O  O33  1  0.873  0.850  0.616  1.0
  O  O34  1  0.029  0.193  0.680  1.0
  O  O35  1  0.722  0.788  0.822  1.0
  O  O36  1  0.341  0.658  0.727  1.0
  O  O37  1  0.222  0.212  0.678  1.0
  O  O38  1  0.127  0.150  0.384  1.0
  O  O39  1  0.627  0.850  0.116  1.0
[/CIF]
.
The compound described by BiB3O6 crystallizes in the monoclinic P2_1/c 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(5), and one O(6) atom to form corner-sharing BO4 tetrahedra. In the second B site, B(2) is bonded to one O(1), one O(3), one O(4), and one O(6) atom to form corner-sharing BO4 tetrahedra. In the third B site, B(3) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form corner-sharing BO4 tetrahedra. Bi(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one B(1), one B(2), and one Bi(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one B(1), one B(3), and one Bi(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one B(2) and two equivalent Bi(1) atoms. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one B(2), one B(3), and one Bi(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one B(1), one B(3), and one Bi(1) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one B(1), one B(2), and one B(3) atom. is represented by the CIF card [CIF]
data_Bi(BO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.715
_cell_length_b   4.260
_cell_length_c   7.258
_cell_angle_alpha   88.916
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   362.182
_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  0.615  0.165  0.630  1.0
  Bi  Bi1  1  0.115  0.835  0.870  1.0
  Bi  Bi2  1  0.885  0.165  0.130  1.0
  Bi  Bi3  1  0.385  0.835  0.370  1.0
  B  B4  1  0.093  0.802  0.369  1.0
  B  B5  1  0.162  0.320  0.207  1.0
  B  B6  1  0.125  0.311  0.567  1.0
  B  B7  1  0.338  0.320  0.707  1.0
  B  B8  1  0.407  0.802  0.869  1.0
  B  B9  1  0.625  0.689  0.933  1.0
  B  B10  1  0.662  0.680  0.293  1.0
  B  B11  1  0.875  0.689  0.433  1.0
  B  B12  1  0.907  0.198  0.631  1.0
  B  B13  1  0.593  0.198  0.131  1.0
  B  B14  1  0.375  0.311  0.067  1.0
  B  B15  1  0.838  0.680  0.793  1.0
  O  O16  1  0.841  0.342  0.773  1.0
  O  O17  1  0.884  0.355  0.457  1.0
  O  O18  1  0.420  0.232  0.561  1.0
  O  O19  1  0.080  0.232  0.061  1.0
  O  O20  1  0.778  0.788  0.322  1.0
  O  O21  1  0.384  0.645  0.043  1.0
  O  O22  1  0.616  0.355  0.957  1.0
  O  O23  1  0.659  0.342  0.273  1.0
  O  O24  1  0.580  0.768  0.439  1.0
  O  O25  1  0.471  0.193  0.180  1.0
  O  O26  1  0.159  0.658  0.227  1.0
  O  O27  1  0.373  0.150  0.884  1.0
  O  O28  1  0.116  0.645  0.543  1.0
  O  O29  1  0.529  0.807  0.820  1.0
  O  O30  1  0.971  0.807  0.320  1.0
  O  O31  1  0.920  0.768  0.939  1.0
  O  O32  1  0.278  0.212  0.178  1.0
  O  O33  1  0.873  0.850  0.616  1.0
  O  O34  1  0.029  0.193  0.680  1.0
  O  O35  1  0.722  0.788  0.822  1.0
  O  O36  1  0.341  0.658  0.727  1.0
  O  O37  1  0.222  0.212  0.678  1.0
  O  O38  1  0.127  0.150  0.384  1.0
  O  O39  1  0.627  0.850  0.116  1.0
[/CIF]
.