The material described by B2Bi2O7 crystallizes in the triclinic P-1 space group. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 3-coordinate geometry to one O(1), one O(5), and one O(6) atom. In the second B site, B(2) is bonded in a 1-coordinate geometry to one O(2), one O(3), one O(4), and one O(7) atom. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 2-coordinate geometry to one O(5) and two equivalent O(2) atoms. In the second Bi site, Bi(2) is bonded in a 3-coordinate geometry to one O(1) and two equivalent O(4) atoms. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to one B(1) and one Bi(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one B(2), two equivalent Bi(1), one O(2), and one O(7) atom. In the third O site, O(3) is bonded in a single-bond geometry to one B(2) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one B(2) and two equivalent Bi(2) atoms. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one B(1) and one Bi(1) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one B(1) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one B(2) and one O(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Bi2B2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.338
_cell_length_b   8.601
_cell_length_c   5.232
_cell_angle_alpha   93.007
_cell_angle_beta   94.653
_cell_angle_gamma   115.167
_symmetry_Int_Tables_number   1
_cell_volume   336.859
_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  0.669  0.278  0.024  1.0
  Bi  Bi1  1  0.052  0.864  0.296  1.0
  Bi  Bi2  1  0.948  0.136  0.704  1.0
  Bi  Bi3  1  0.331  0.722  0.976  1.0
  B  B4  1  0.148  0.358  0.121  1.0
  B  B5  1  0.654  0.847  0.247  1.0
  B  B6  1  0.346  0.153  0.753  1.0
  B  B7  1  0.852  0.642  0.879  1.0
  O  O8  1  0.833  0.761  0.026  1.0
  O  O9  1  0.538  0.029  0.178  1.0
  O  O10  1  0.580  0.595  0.177  1.0
  O  O11  1  0.824  0.915  0.364  1.0
  O  O12  1  0.208  0.617  0.171  1.0
  O  O13  1  0.069  0.244  0.215  1.0
  O  O14  1  0.440  0.068  0.470  1.0
  O  O15  1  0.560  0.932  0.530  1.0
  O  O16  1  0.931  0.756  0.785  1.0
  O  O17  1  0.792  0.383  0.829  1.0
  O  O18  1  0.176  0.085  0.636  1.0
  O  O19  1  0.420  0.405  0.823  1.0
  O  O20  1  0.462  0.971  0.822  1.0
  O  O21  1  0.167  0.239  0.974  1.0
[/CIF]
.
The material described by B2Bi2O7 crystallizes in the triclinic P-1 space group. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 3-coordinate geometry to one O(1), one O(5), and one O(6) atom. In the second B site, B(2) is bonded in a 1-coordinate geometry to one O(2), one O(3), one O(4), and one O(7) atom. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 2-coordinate geometry to one O(5) and two equivalent O(2) atoms. In the second Bi site, Bi(2) is bonded in a 3-coordinate geometry to one O(1) and two equivalent O(4) atoms. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to one B(1) and one Bi(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one B(2), two equivalent Bi(1), one O(2), and one O(7) atom. In the third O site, O(3) is bonded in a single-bond geometry to one B(2) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one B(2) and two equivalent Bi(2) atoms. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one B(1) and one Bi(1) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one B(1) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one B(2) and one O(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Bi2B2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.338
_cell_length_b   8.601
_cell_length_c   5.232
_cell_angle_alpha   93.007
_cell_angle_beta   94.653
_cell_angle_gamma   115.167
_symmetry_Int_Tables_number   1
_cell_volume   336.859
_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  0.669  0.278  0.024  1.0
  Bi  Bi1  1  0.052  0.864  0.296  1.0
  Bi  Bi2  1  0.948  0.136  0.704  1.0
  Bi  Bi3  1  0.331  0.722  0.976  1.0
  B  B4  1  0.148  0.358  0.121  1.0
  B  B5  1  0.654  0.847  0.247  1.0
  B  B6  1  0.346  0.153  0.753  1.0
  B  B7  1  0.852  0.642  0.879  1.0
  O  O8  1  0.833  0.761  0.026  1.0
  O  O9  1  0.538  0.029  0.178  1.0
  O  O10  1  0.580  0.595  0.177  1.0
  O  O11  1  0.824  0.915  0.364  1.0
  O  O12  1  0.208  0.617  0.171  1.0
  O  O13  1  0.069  0.244  0.215  1.0
  O  O14  1  0.440  0.068  0.470  1.0
  O  O15  1  0.560  0.932  0.530  1.0
  O  O16  1  0.931  0.756  0.785  1.0
  O  O17  1  0.792  0.383  0.829  1.0
  O  O18  1  0.176  0.085  0.636  1.0
  O  O19  1  0.420  0.405  0.823  1.0
  O  O20  1  0.462  0.971  0.822  1.0
  O  O21  1  0.167  0.239  0.974  1.0
[/CIF]
.