The material described by Bi2(BO3)3 crystallizes in the hexagonal P6_3/m space group. B(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form BO4 tetrahedra that share corners with four equivalent Bi(1)O6 octahedra and corners with two equivalent B(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-55°. Bi(1) is bonded to six equivalent O(2) atoms to form BiO6 octahedra that share corners with six equivalent B(1)O4 tetrahedra and edges with three equivalent Bi(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to two equivalent B(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one B(1) and two equivalent Bi(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Bi2(BO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.297
_cell_length_b   6.297
_cell_length_c   9.264
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   318.140
_cell_formula_units_Z   2
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  0.333  0.667  0.008  1.0
  Bi  Bi1  1  0.333  0.667  0.492  1.0
  Bi  Bi2  1  0.667  0.333  0.508  1.0
  Bi  Bi3  1  0.667  0.333  0.992  1.0
  B  B4  1  0.006  0.772  0.750  1.0
  B  B5  1  0.228  0.234  0.750  1.0
  B  B6  1  0.766  0.994  0.750  1.0
  B  B7  1  0.234  0.006  0.250  1.0
  B  B8  1  0.772  0.766  0.250  1.0
  B  B9  1  0.994  0.228  0.250  1.0
  O  O10  1  0.013  0.782  0.250  1.0
  O  O11  1  0.006  0.636  0.885  1.0
  O  O12  1  0.006  0.636  0.615  1.0
  O  O13  1  0.218  0.231  0.250  1.0
  O  O14  1  0.630  0.994  0.615  1.0
  O  O15  1  0.630  0.994  0.885  1.0
  O  O16  1  0.364  0.370  0.615  1.0
  O  O17  1  0.364  0.370  0.885  1.0
  O  O18  1  0.231  0.013  0.750  1.0
  O  O19  1  0.769  0.987  0.250  1.0
  O  O20  1  0.636  0.630  0.385  1.0
  O  O21  1  0.636  0.630  0.115  1.0
  O  O22  1  0.370  0.006  0.115  1.0
  O  O23  1  0.370  0.006  0.385  1.0
  O  O24  1  0.782  0.769  0.750  1.0
  O  O25  1  0.994  0.364  0.115  1.0
  O  O26  1  0.994  0.364  0.385  1.0
  O  O27  1  0.987  0.218  0.750  1.0
[/CIF]
.
The material described by Bi2(BO3)3 crystallizes in the hexagonal P6_3/m space group. B(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form BO4 tetrahedra that share corners with four equivalent Bi(1)O6 octahedra and corners with two equivalent B(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-55°. Bi(1) is bonded to six equivalent O(2) atoms to form BiO6 octahedra that share corners with six equivalent B(1)O4 tetrahedra and edges with three equivalent Bi(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to two equivalent B(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one B(1) and two equivalent Bi(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Bi2(BO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.297
_cell_length_b   6.297
_cell_length_c   9.264
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   318.140
_cell_formula_units_Z   2
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  0.333  0.667  0.008  1.0
  Bi  Bi1  1  0.333  0.667  0.492  1.0
  Bi  Bi2  1  0.667  0.333  0.508  1.0
  Bi  Bi3  1  0.667  0.333  0.992  1.0
  B  B4  1  0.006  0.772  0.750  1.0
  B  B5  1  0.228  0.234  0.750  1.0
  B  B6  1  0.766  0.994  0.750  1.0
  B  B7  1  0.234  0.006  0.250  1.0
  B  B8  1  0.772  0.766  0.250  1.0
  B  B9  1  0.994  0.228  0.250  1.0
  O  O10  1  0.013  0.782  0.250  1.0
  O  O11  1  0.006  0.636  0.885  1.0
  O  O12  1  0.006  0.636  0.615  1.0
  O  O13  1  0.218  0.231  0.250  1.0
  O  O14  1  0.630  0.994  0.615  1.0
  O  O15  1  0.630  0.994  0.885  1.0
  O  O16  1  0.364  0.370  0.615  1.0
  O  O17  1  0.364  0.370  0.885  1.0
  O  O18  1  0.231  0.013  0.750  1.0
  O  O19  1  0.769  0.987  0.250  1.0
  O  O20  1  0.636  0.630  0.385  1.0
  O  O21  1  0.636  0.630  0.115  1.0
  O  O22  1  0.370  0.006  0.115  1.0
  O  O23  1  0.370  0.006  0.385  1.0
  O  O24  1  0.782  0.769  0.750  1.0
  O  O25  1  0.994  0.364  0.115  1.0
  O  O26  1  0.994  0.364  0.385  1.0
  O  O27  1  0.987  0.218  0.750  1.0
[/CIF]
.