The material described by B7Bi3O12 crystallizes in the triclinic P-1 space group. There are seven inequivalent B sites. In the first B site, B(1) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form corner-sharing BO4 tetrahedra. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(11), one O(2), and one O(7) atom. In the third B site, B(3) is bonded to one O(1), one O(11), one O(2), and one O(8) atom to form corner-sharing BO4 tetrahedra. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(3), one O(8), and one O(9) atom. In the fifth B site, B(5) is bonded in a trigonal planar geometry to one O(12), one O(5), and one O(6) atom. In the sixth B site, B(6) is bonded in a trigonal planar geometry to one O(10), one O(12), and one O(4) atom. In the seventh B site, B(7) is bonded in a tetrahedral geometry to one O(10), one O(6), one O(7), and one O(9) atom. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a distorted bent 150 degrees geometry to one O(10) and one O(2) atom. In the second Bi site, Bi(2) is bonded in a linear geometry to one O(1) and one O(7) atom. In the third Bi site, Bi(3) is bonded in a bent 150 degrees geometry to one O(8) and one O(9) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one B(1), one B(3), and one Bi(2) 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) and one B(4) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one B(1) and one B(6) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one B(1) and one B(5) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one B(5) and one B(7) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one B(2), one B(7), and one Bi(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one B(3), one B(4), and one Bi(3) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one B(4), one B(7), and one Bi(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one B(6), one B(7), and one Bi(1) atom. In the eleventh O site, O(11) is bonded in a distorted bent 150 degrees geometry to one B(2) and one B(3) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one B(5) and one B(6) atom. is represented by the CIF file [CIF]
data_Bi3B7O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.043
_cell_length_b   9.118
_cell_length_c   9.443
_cell_angle_alpha   95.361
_cell_angle_beta   104.261
_cell_angle_gamma   96.942
_symmetry_Int_Tables_number   1
_cell_volume   578.623
_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  0.164  0.227  0.737  1.0
  Bi  Bi1  1  0.633  0.050  0.183  1.0
  Bi  Bi2  1  0.509  0.337  0.003  1.0
  Bi  Bi3  1  0.491  0.663  0.997  1.0
  Bi  Bi4  1  0.367  0.950  0.817  1.0
  Bi  Bi5  1  0.836  0.773  0.263  1.0
  B  B6  1  0.997  0.325  0.316  1.0
  B  B7  1  0.814  0.065  0.858  1.0
  B  B8  1  0.916  0.803  0.909  1.0
  B  B9  1  0.807  0.525  0.810  1.0
  B  B10  1  0.699  0.311  0.455  1.0
  B  B11  1  0.642  0.707  0.521  1.0
  B  B12  1  0.640  0.253  0.694  1.0
  B  B13  1  0.360  0.747  0.306  1.0
  B  B14  1  0.358  0.293  0.479  1.0
  B  B15  1  0.301  0.689  0.545  1.0
  B  B16  1  0.193  0.475  0.190  1.0
  B  B17  1  0.084  0.197  0.091  1.0
  B  B18  1  0.186  0.935  0.142  1.0
  B  B19  1  0.003  0.675  0.684  1.0
  O  O20  1  0.946  0.206  0.184  1.0
  O  O21  1  0.977  0.169  0.930  1.0
  O  O22  1  0.942  0.532  0.731  1.0
  O  O23  1  0.840  0.712  0.566  1.0
  O  O24  1  0.816  0.336  0.363  1.0
  O  O25  1  0.756  0.257  0.588  1.0
  O  O26  1  0.654  0.115  0.766  1.0
  O  O27  1  0.781  0.654  0.892  1.0
  O  O28  1  0.694  0.388  0.813  1.0
  O  O29  1  0.574  0.753  0.381  1.0
  O  O30  1  0.788  0.917  0.870  1.0
  O  O31  1  0.500  0.664  0.594  1.0
  O  O32  1  0.500  0.336  0.406  1.0
  O  O33  1  0.212  0.083  0.130  1.0
  O  O34  1  0.426  0.247  0.619  1.0
  O  O35  1  0.306  0.612  0.187  1.0
  O  O36  1  0.219  0.346  0.108  1.0
  O  O37  1  0.346  0.885  0.234  1.0
  O  O38  1  0.244  0.743  0.412  1.0
  O  O39  1  0.184  0.664  0.637  1.0
  O  O40  1  0.160  0.288  0.434  1.0
  O  O41  1  0.058  0.468  0.269  1.0
  O  O42  1  0.023  0.831  0.070  1.0
  O  O43  1  0.054  0.794  0.816  1.0
[/CIF]
.
The material described by B7Bi3O12 crystallizes in the triclinic P-1 space group. There are seven inequivalent B sites. In the first B site, B(1) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form corner-sharing BO4 tetrahedra. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(11), one O(2), and one O(7) atom. In the third B site, B(3) is bonded to one O(1), one O(11), one O(2), and one O(8) atom to form corner-sharing BO4 tetrahedra. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(3), one O(8), and one O(9) atom. In the fifth B site, B(5) is bonded in a trigonal planar geometry to one O(12), one O(5), and one O(6) atom. In the sixth B site, B(6) is bonded in a trigonal planar geometry to one O(10), one O(12), and one O(4) atom. In the seventh B site, B(7) is bonded in a tetrahedral geometry to one O(10), one O(6), one O(7), and one O(9) atom. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a distorted bent 150 degrees geometry to one O(10) and one O(2) atom. In the second Bi site, Bi(2) is bonded in a linear geometry to one O(1) and one O(7) atom. In the third Bi site, Bi(3) is bonded in a bent 150 degrees geometry to one O(8) and one O(9) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one B(1), one B(3), and one Bi(2) 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) and one B(4) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one B(1) and one B(6) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one B(1) and one B(5) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one B(5) and one B(7) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one B(2), one B(7), and one Bi(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one B(3), one B(4), and one Bi(3) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one B(4), one B(7), and one Bi(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one B(6), one B(7), and one Bi(1) atom. In the eleventh O site, O(11) is bonded in a distorted bent 150 degrees geometry to one B(2) and one B(3) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one B(5) and one B(6) atom. is represented by the CIF file [CIF]
data_Bi3B7O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.043
_cell_length_b   9.118
_cell_length_c   9.443
_cell_angle_alpha   95.361
_cell_angle_beta   104.261
_cell_angle_gamma   96.942
_symmetry_Int_Tables_number   1
_cell_volume   578.623
_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  0.164  0.227  0.737  1.0
  Bi  Bi1  1  0.633  0.050  0.183  1.0
  Bi  Bi2  1  0.509  0.337  0.003  1.0
  Bi  Bi3  1  0.491  0.663  0.997  1.0
  Bi  Bi4  1  0.367  0.950  0.817  1.0
  Bi  Bi5  1  0.836  0.773  0.263  1.0
  B  B6  1  0.997  0.325  0.316  1.0
  B  B7  1  0.814  0.065  0.858  1.0
  B  B8  1  0.916  0.803  0.909  1.0
  B  B9  1  0.807  0.525  0.810  1.0
  B  B10  1  0.699  0.311  0.455  1.0
  B  B11  1  0.642  0.707  0.521  1.0
  B  B12  1  0.640  0.253  0.694  1.0
  B  B13  1  0.360  0.747  0.306  1.0
  B  B14  1  0.358  0.293  0.479  1.0
  B  B15  1  0.301  0.689  0.545  1.0
  B  B16  1  0.193  0.475  0.190  1.0
  B  B17  1  0.084  0.197  0.091  1.0
  B  B18  1  0.186  0.935  0.142  1.0
  B  B19  1  0.003  0.675  0.684  1.0
  O  O20  1  0.946  0.206  0.184  1.0
  O  O21  1  0.977  0.169  0.930  1.0
  O  O22  1  0.942  0.532  0.731  1.0
  O  O23  1  0.840  0.712  0.566  1.0
  O  O24  1  0.816  0.336  0.363  1.0
  O  O25  1  0.756  0.257  0.588  1.0
  O  O26  1  0.654  0.115  0.766  1.0
  O  O27  1  0.781  0.654  0.892  1.0
  O  O28  1  0.694  0.388  0.813  1.0
  O  O29  1  0.574  0.753  0.381  1.0
  O  O30  1  0.788  0.917  0.870  1.0
  O  O31  1  0.500  0.664  0.594  1.0
  O  O32  1  0.500  0.336  0.406  1.0
  O  O33  1  0.212  0.083  0.130  1.0
  O  O34  1  0.426  0.247  0.619  1.0
  O  O35  1  0.306  0.612  0.187  1.0
  O  O36  1  0.219  0.346  0.108  1.0
  O  O37  1  0.346  0.885  0.234  1.0
  O  O38  1  0.244  0.743  0.412  1.0
  O  O39  1  0.184  0.664  0.637  1.0
  O  O40  1  0.160  0.288  0.434  1.0
  O  O41  1  0.058  0.468  0.269  1.0
  O  O42  1  0.023  0.831  0.070  1.0
  O  O43  1  0.054  0.794  0.816  1.0
[/CIF]
.