The crystal structure 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 in a trigonal planar geometry to one O(3), one O(4), and one O(5) atom. In the second B site, B(2) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form corner-sharing BO4 tetrahedra. In the third B site, B(3) is bonded to one O(1), one O(2), one O(4), and one O(6) atom to form corner-sharing BO4 tetrahedra. Bi(1) is bonded in a 9-coordinate geometry to one O(1), one O(2), one O(4), one O(5), two equivalent O(3), and three equivalent O(6) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one B(2), one B(3), and one Bi(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one B(2), one B(3), and one Bi(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one B(1), one B(2), and two equivalent Bi(1) atoms. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one B(1), one B(3), and one Bi(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one B(1), one B(2), and one Bi(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one B(3) and three 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   6.706
_cell_length_b   4.414
_cell_length_c   13.999
_cell_angle_alpha   84.615
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   412.552
_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  0.801  0.226  0.429  1.0
  Bi  Bi1  1  0.199  0.774  0.571  1.0
  Bi  Bi2  1  0.301  0.774  0.071  1.0
  Bi  Bi3  1  0.699  0.226  0.929  1.0
  B  B4  1  0.188  0.172  0.253  1.0
  B  B5  1  0.812  0.828  0.747  1.0
  B  B6  1  0.919  0.123  0.140  1.0
  B  B7  1  0.312  0.172  0.753  1.0
  B  B8  1  0.241  0.344  0.913  1.0
  B  B9  1  0.688  0.828  0.247  1.0
  B  B10  1  0.081  0.877  0.860  1.0
  B  B11  1  0.419  0.877  0.360  1.0
  B  B12  1  0.581  0.123  0.640  1.0
  B  B13  1  0.759  0.656  0.087  1.0
  B  B14  1  0.741  0.656  0.587  1.0
  B  B15  1  0.259  0.344  0.413  1.0
  O  O16  1  0.190  0.660  0.928  1.0
  O  O17  1  0.563  0.841  0.593  1.0
  O  O18  1  0.381  0.236  0.660  1.0
  O  O19  1  0.437  0.159  0.407  1.0
  O  O20  1  0.864  0.657  0.675  1.0
  O  O21  1  0.810  0.340  0.072  1.0
  O  O22  1  0.183  0.936  0.767  1.0
  O  O23  1  0.631  0.764  0.004  1.0
  O  O24  1  0.937  0.841  0.093  1.0
  O  O25  1  0.364  0.343  0.825  1.0
  O  O26  1  0.690  0.340  0.572  1.0
  O  O27  1  0.881  0.764  0.840  1.0
  O  O28  1  0.136  0.343  0.325  1.0
  O  O29  1  0.636  0.657  0.175  1.0
  O  O30  1  0.683  0.064  0.733  1.0
  O  O31  1  0.131  0.236  0.496  1.0
  O  O32  1  0.369  0.236  0.996  1.0
  O  O33  1  0.869  0.764  0.504  1.0
  O  O34  1  0.119  0.236  0.160  1.0
  O  O35  1  0.063  0.159  0.907  1.0
  O  O36  1  0.317  0.936  0.267  1.0
  O  O37  1  0.817  0.064  0.233  1.0
  O  O38  1  0.310  0.660  0.428  1.0
  O  O39  1  0.619  0.764  0.340  1.0
[/CIF]
.
The crystal structure 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 in a trigonal planar geometry to one O(3), one O(4), and one O(5) atom. In the second B site, B(2) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form corner-sharing BO4 tetrahedra. In the third B site, B(3) is bonded to one O(1), one O(2), one O(4), and one O(6) atom to form corner-sharing BO4 tetrahedra. Bi(1) is bonded in a 9-coordinate geometry to one O(1), one O(2), one O(4), one O(5), two equivalent O(3), and three equivalent O(6) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one B(2), one B(3), and one Bi(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one B(2), one B(3), and one Bi(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one B(1), one B(2), and two equivalent Bi(1) atoms. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one B(1), one B(3), and one Bi(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one B(1), one B(2), and one Bi(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one B(3) and three 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   6.706
_cell_length_b   4.414
_cell_length_c   13.999
_cell_angle_alpha   84.615
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   412.552
_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  0.801  0.226  0.429  1.0
  Bi  Bi1  1  0.199  0.774  0.571  1.0
  Bi  Bi2  1  0.301  0.774  0.071  1.0
  Bi  Bi3  1  0.699  0.226  0.929  1.0
  B  B4  1  0.188  0.172  0.253  1.0
  B  B5  1  0.812  0.828  0.747  1.0
  B  B6  1  0.919  0.123  0.140  1.0
  B  B7  1  0.312  0.172  0.753  1.0
  B  B8  1  0.241  0.344  0.913  1.0
  B  B9  1  0.688  0.828  0.247  1.0
  B  B10  1  0.081  0.877  0.860  1.0
  B  B11  1  0.419  0.877  0.360  1.0
  B  B12  1  0.581  0.123  0.640  1.0
  B  B13  1  0.759  0.656  0.087  1.0
  B  B14  1  0.741  0.656  0.587  1.0
  B  B15  1  0.259  0.344  0.413  1.0
  O  O16  1  0.190  0.660  0.928  1.0
  O  O17  1  0.563  0.841  0.593  1.0
  O  O18  1  0.381  0.236  0.660  1.0
  O  O19  1  0.437  0.159  0.407  1.0
  O  O20  1  0.864  0.657  0.675  1.0
  O  O21  1  0.810  0.340  0.072  1.0
  O  O22  1  0.183  0.936  0.767  1.0
  O  O23  1  0.631  0.764  0.004  1.0
  O  O24  1  0.937  0.841  0.093  1.0
  O  O25  1  0.364  0.343  0.825  1.0
  O  O26  1  0.690  0.340  0.572  1.0
  O  O27  1  0.881  0.764  0.840  1.0
  O  O28  1  0.136  0.343  0.325  1.0
  O  O29  1  0.636  0.657  0.175  1.0
  O  O30  1  0.683  0.064  0.733  1.0
  O  O31  1  0.131  0.236  0.496  1.0
  O  O32  1  0.369  0.236  0.996  1.0
  O  O33  1  0.869  0.764  0.504  1.0
  O  O34  1  0.119  0.236  0.160  1.0
  O  O35  1  0.063  0.159  0.907  1.0
  O  O36  1  0.317  0.936  0.267  1.0
  O  O37  1  0.817  0.064  0.233  1.0
  O  O38  1  0.310  0.660  0.428  1.0
  O  O39  1  0.619  0.764  0.340  1.0
[/CIF]
.