The material structure described by Bi3(B3O7)2 crystallizes in the triclinic P1 space group. There are six inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(4), and one O(9) atom. In the second B site, B(2) is bonded to one O(10), one O(2), one O(6), and one O(7) atom to form corner-sharing BO4 tetrahedra. In the third B site, B(3) is bonded to one O(11), one O(3), one O(5), and one O(8) atom to form corner-sharing BO4 tetrahedra. In the fourth B site, B(4) is bonded to one O(13), one O(14), one O(6), and one O(9) atom to form corner-sharing BO4 tetrahedra. In the fifth B site, B(5) is bonded to one O(11), one O(12), one O(14), and one O(4) atom to form corner-sharing BO4 tetrahedra. In the sixth B site, B(6) is bonded to one O(10), one O(12), one O(13), and one O(5) atom to form corner-sharing BO4 tetrahedra. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(12), one O(3), one O(4), one O(5), one O(7), and one O(9) atom. In the second Bi site, Bi(2) is bonded in a 6-coordinate geometry to one O(13), one O(2), one O(3), one O(5), one O(6), and one O(9) atom. In the third Bi site, Bi(3) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(11), one O(14), one O(2), one O(4), one O(7), and one O(8) atom. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one B(1), one Bi(1), and one Bi(3) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one B(2), one Bi(2), and one Bi(3) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one B(3), one Bi(1), and one Bi(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one B(1), one B(5), one Bi(1), and one Bi(3) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one B(3), one B(6), one Bi(1), and one Bi(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one B(2), one B(4), and one Bi(2) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one B(2), one Bi(1), and one Bi(3) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one B(3) and one Bi(3) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one B(1), one B(4), one Bi(1), and one Bi(2) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one B(2), one B(6), one Bi(1), and one Bi(3) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one B(3), one B(5), and one Bi(3) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one B(5), one B(6), and one Bi(1) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 120 degrees geometry to one B(4), one B(6), and one Bi(2) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 120 degrees geometry to one B(4), one B(5), and one Bi(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Bi3(B3O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.637
_cell_length_b   6.679
_cell_length_c   6.709
_cell_angle_alpha   119.774
_cell_angle_beta   91.330
_cell_angle_gamma   89.395
_symmetry_Int_Tables_number   1
_cell_volume   258.084
_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  0.561  0.703  0.632  1.0
  Bi  Bi1  1  0.239  0.881  0.158  1.0
  Bi  Bi2  1  0.829  0.294  0.043  1.0
  B  B3  1  0.985  0.650  0.652  1.0
  B  B4  1  0.369  0.279  0.017  1.0
  B  B5  1  0.695  0.858  0.211  1.0
  B  B6  1  0.174  0.363  0.730  1.0
  B  B7  1  0.835  0.263  0.511  1.0
  B  B8  1  0.501  0.147  0.596  1.0
  O  O9  1  0.877  0.847  0.741  1.0
  O  O10  1  0.222  0.148  0.061  1.0
  O  O11  1  0.551  0.828  0.024  1.0
  O  O12  1  0.891  0.456  0.466  1.0
  O  O13  1  0.556  0.912  0.411  1.0
  O  O14  1  0.253  0.434  0.958  1.0
  O  O15  1  0.512  0.404  0.207  1.0
  O  O16  1  0.826  0.665  0.154  1.0
  O  O17  1  0.164  0.610  0.737  1.0
  O  O18  1  0.507  0.127  0.810  1.0
  O  O19  1  0.835  0.058  0.283  1.0
  O  O20  1  0.637  0.324  0.612  1.0
  O  O21  1  0.299  0.200  0.547  1.0
  O  O22  1  0.972  0.271  0.690  1.0
[/CIF]
.
The material structure described by Bi3(B3O7)2 crystallizes in the triclinic P1 space group. There are six inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(4), and one O(9) atom. In the second B site, B(2) is bonded to one O(10), one O(2), one O(6), and one O(7) atom to form corner-sharing BO4 tetrahedra. In the third B site, B(3) is bonded to one O(11), one O(3), one O(5), and one O(8) atom to form corner-sharing BO4 tetrahedra. In the fourth B site, B(4) is bonded to one O(13), one O(14), one O(6), and one O(9) atom to form corner-sharing BO4 tetrahedra. In the fifth B site, B(5) is bonded to one O(11), one O(12), one O(14), and one O(4) atom to form corner-sharing BO4 tetrahedra. In the sixth B site, B(6) is bonded to one O(10), one O(12), one O(13), and one O(5) atom to form corner-sharing BO4 tetrahedra. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(12), one O(3), one O(4), one O(5), one O(7), and one O(9) atom. In the second Bi site, Bi(2) is bonded in a 6-coordinate geometry to one O(13), one O(2), one O(3), one O(5), one O(6), and one O(9) atom. In the third Bi site, Bi(3) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(11), one O(14), one O(2), one O(4), one O(7), and one O(8) atom. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one B(1), one Bi(1), and one Bi(3) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one B(2), one Bi(2), and one Bi(3) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one B(3), one Bi(1), and one Bi(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one B(1), one B(5), one Bi(1), and one Bi(3) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one B(3), one B(6), one Bi(1), and one Bi(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one B(2), one B(4), and one Bi(2) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one B(2), one Bi(1), and one Bi(3) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one B(3) and one Bi(3) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one B(1), one B(4), one Bi(1), and one Bi(2) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one B(2), one B(6), one Bi(1), and one Bi(3) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one B(3), one B(5), and one Bi(3) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one B(5), one B(6), and one Bi(1) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 120 degrees geometry to one B(4), one B(6), and one Bi(2) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 120 degrees geometry to one B(4), one B(5), and one Bi(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Bi3(B3O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.637
_cell_length_b   6.679
_cell_length_c   6.709
_cell_angle_alpha   119.774
_cell_angle_beta   91.330
_cell_angle_gamma   89.395
_symmetry_Int_Tables_number   1
_cell_volume   258.084
_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  0.561  0.703  0.632  1.0
  Bi  Bi1  1  0.239  0.881  0.158  1.0
  Bi  Bi2  1  0.829  0.294  0.043  1.0
  B  B3  1  0.985  0.650  0.652  1.0
  B  B4  1  0.369  0.279  0.017  1.0
  B  B5  1  0.695  0.858  0.211  1.0
  B  B6  1  0.174  0.363  0.730  1.0
  B  B7  1  0.835  0.263  0.511  1.0
  B  B8  1  0.501  0.147  0.596  1.0
  O  O9  1  0.877  0.847  0.741  1.0
  O  O10  1  0.222  0.148  0.061  1.0
  O  O11  1  0.551  0.828  0.024  1.0
  O  O12  1  0.891  0.456  0.466  1.0
  O  O13  1  0.556  0.912  0.411  1.0
  O  O14  1  0.253  0.434  0.958  1.0
  O  O15  1  0.512  0.404  0.207  1.0
  O  O16  1  0.826  0.665  0.154  1.0
  O  O17  1  0.164  0.610  0.737  1.0
  O  O18  1  0.507  0.127  0.810  1.0
  O  O19  1  0.835  0.058  0.283  1.0
  O  O20  1  0.637  0.324  0.612  1.0
  O  O21  1  0.299  0.200  0.547  1.0
  O  O22  1  0.972  0.271  0.690  1.0
[/CIF]
.