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 in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. 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 in a 6-coordinate geometry to one O(3), one O(4), two equivalent O(5), and two equivalent O(6) 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) and one B(2) atom. In the second O site, O(2) is bonded in a bent 120 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 Crystallographic Information File (CIF) [CIF]
data_Bi(BO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.355
_cell_length_b   4.358
_cell_length_c   6.528
_cell_angle_alpha   77.905
_cell_angle_beta   77.693
_cell_angle_gamma   70.637
_symmetry_Int_Tables_number   1
_cell_volume   112.884
_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  0.919  0.049  0.041  1.0
  B  B1  1  0.624  0.341  0.542  1.0
  B  B2  1  0.221  0.246  0.346  1.0
  B  B3  1  0.720  0.744  0.737  1.0
  O  O4  1  0.310  0.360  0.493  1.0
  O  O5  1  0.604  0.654  0.591  1.0
  O  O6  1  0.708  0.072  0.725  1.0
  O  O7  1  0.893  0.255  0.359  1.0
  O  O8  1  0.407  0.140  0.163  1.0
  O  O9  1  0.829  0.558  0.919  1.0
[/CIF]
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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 in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. 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 in a 6-coordinate geometry to one O(3), one O(4), two equivalent O(5), and two equivalent O(6) 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) and one B(2) atom. In the second O site, O(2) is bonded in a bent 120 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 Crystallographic Information File (CIF) [CIF]
data_Bi(BO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.355
_cell_length_b   4.358
_cell_length_c   6.528
_cell_angle_alpha   77.905
_cell_angle_beta   77.693
_cell_angle_gamma   70.637
_symmetry_Int_Tables_number   1
_cell_volume   112.884
_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  0.919  0.049  0.041  1.0
  B  B1  1  0.624  0.341  0.542  1.0
  B  B2  1  0.221  0.246  0.346  1.0
  B  B3  1  0.720  0.744  0.737  1.0
  O  O4  1  0.310  0.360  0.493  1.0
  O  O5  1  0.604  0.654  0.591  1.0
  O  O6  1  0.708  0.072  0.725  1.0
  O  O7  1  0.893  0.255  0.359  1.0
  O  O8  1  0.407  0.140  0.163  1.0
  O  O9  1  0.829  0.558  0.919  1.0
[/CIF]
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