The structure described by (Bi3O4Br)4Br crystallizes in the monoclinic C2/m space group. The structure consists of two hydrogen bromide atoms inside a Bi3O4Br framework. In the Bi3O4Br framework, there are six inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 4-coordinate geometry to one O(1), one O(4), two equivalent O(3), and two equivalent Br(3) atoms. In the second Bi site, Bi(2) is bonded in a 7-coordinate geometry to one O(2), one O(5), one O(8), two equivalent O(6), and two equivalent O(7) atoms. In the third Bi site, Bi(3) is bonded in a 4-coordinate geometry to one O(4), one O(6), two equivalent O(8), and two equivalent Br(3) atoms. In the fourth Bi site, Bi(4) is bonded in a 4-coordinate geometry to one O(1), one O(7), two equivalent O(2), and two equivalent Br(1) atoms. In the fifth Bi site, Bi(5) is bonded in a 4-coordinate geometry to one O(6), three equivalent O(5), and two equivalent Br(1) atoms. In the sixth Bi site, Bi(6) is bonded in a body-centered cubic geometry to one O(2), one O(8), two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Bi(1), one Bi(4), and two equivalent Bi(6) atoms to form a mixture of corner and edge-sharing OBi4 tetrahedra. In the second O site, O(2) is bonded to one Bi(2), one Bi(6), and two equivalent Bi(4) atoms to form a mixture of corner and edge-sharing OBi4 tetrahedra. In the third O site, O(3) is bonded to two equivalent Bi(1) and two equivalent Bi(6) atoms to form a mixture of corner and edge-sharing OBi4 tetrahedra. In the fourth O site, O(4) is bonded to one Bi(1), one Bi(3), and two equivalent Bi(6) atoms to form a mixture of corner and edge-sharing OBi4 tetrahedra. In the fifth O site, O(5) is bonded to one Bi(2) and three equivalent Bi(5) atoms to form a mixture of distorted corner and edge-sharing OBi4 tetrahedra. In the sixth O site, O(6) is bonded to one Bi(3), one Bi(5), and two equivalent Bi(2) atoms to form a mixture of corner and edge-sharing OBi4 tetrahedra. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Bi(4) and two equivalent Bi(2) atoms. In the eighth O site, O(8) is bonded to one Bi(2), one Bi(6), and two equivalent Bi(3) atoms to form a mixture of corner and edge-sharing OBi4 tetrahedra. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a 4-coordinate geometry to two equivalent Bi(4) and two equivalent Bi(5) atoms. In the second Br site, Br(3) is bonded in a 4-coordinate geometry to two equivalent Bi(1) and two equivalent Bi(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Bi12Br5O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.811
_cell_length_b   15.811
_cell_length_c   10.233
_cell_angle_alpha   89.510
_cell_angle_beta   89.510
_cell_angle_gamma   14.521
_symmetry_Int_Tables_number   1
_cell_volume   641.390
_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  0.531  0.531  0.232  1.0
  Bi  Bi1  1  0.469  0.469  0.768  1.0
  Bi  Bi2  1  0.827  0.827  0.238  1.0
  Bi  Bi3  1  0.173  0.173  0.762  1.0
  Bi  Bi4  1  0.413  0.413  0.395  1.0
  Bi  Bi5  1  0.587  0.587  0.605  1.0
  Bi  Bi6  1  0.649  0.649  0.067  1.0
  Bi  Bi7  1  0.351  0.351  0.933  1.0
  Bi  Bi8  1  0.705  0.705  0.441  1.0
  Bi  Bi9  1  0.295  0.295  0.559  1.0
  Bi  Bi10  1  0.942  0.942  0.076  1.0
  Bi  Bi11  1  0.058  0.058  0.924  1.0
  Br  Br12  1  0.222  0.222  0.187  1.0
  Br  Br13  1  0.778  0.778  0.813  1.0
  Br  Br14  1  0.000  0.000  0.500  1.0
  Br  Br15  1  0.887  0.887  0.653  1.0
  Br  Br16  1  0.113  0.113  0.347  1.0
  O  O17  1  0.574  0.574  0.051  1.0
  O  O18  1  0.426  0.426  0.949  1.0
  O  O19  1  0.867  0.867  0.029  1.0
  O  O20  1  0.133  0.133  0.971  1.0
  O  O21  1  0.981  0.981  0.868  1.0
  O  O22  1  0.019  0.019  0.132  1.0
  O  O23  1  0.458  0.458  0.216  1.0
  O  O24  1  0.542  0.542  0.784  1.0
  O  O25  1  0.777  0.777  0.462  1.0
  O  O26  1  0.223  0.223  0.538  1.0
  O  O27  1  0.659  0.659  0.614  1.0
  O  O28  1  0.341  0.341  0.386  1.0
  O  O29  1  0.323  0.323  0.125  1.0
  O  O30  1  0.677  0.677  0.875  1.0
  O  O31  1  0.897  0.897  0.295  1.0
  O  O32  1  0.103  0.103  0.705  1.0
[/CIF]
.
The structure described by (Bi3O4Br)4Br crystallizes in the monoclinic C2/m space group. The structure consists of two hydrogen bromide atoms inside a Bi3O4Br framework. In the Bi3O4Br framework, there are six inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 4-coordinate geometry to one O(1), one O(4), two equivalent O(3), and two equivalent Br(3) atoms. In the second Bi site, Bi(2) is bonded in a 7-coordinate geometry to one O(2), one O(5), one O(8), two equivalent O(6), and two equivalent O(7) atoms. In the third Bi site, Bi(3) is bonded in a 4-coordinate geometry to one O(4), one O(6), two equivalent O(8), and two equivalent Br(3) atoms. In the fourth Bi site, Bi(4) is bonded in a 4-coordinate geometry to one O(1), one O(7), two equivalent O(2), and two equivalent Br(1) atoms. In the fifth Bi site, Bi(5) is bonded in a 4-coordinate geometry to one O(6), three equivalent O(5), and two equivalent Br(1) atoms. In the sixth Bi site, Bi(6) is bonded in a body-centered cubic geometry to one O(2), one O(8), two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Bi(1), one Bi(4), and two equivalent Bi(6) atoms to form a mixture of corner and edge-sharing OBi4 tetrahedra. In the second O site, O(2) is bonded to one Bi(2), one Bi(6), and two equivalent Bi(4) atoms to form a mixture of corner and edge-sharing OBi4 tetrahedra. In the third O site, O(3) is bonded to two equivalent Bi(1) and two equivalent Bi(6) atoms to form a mixture of corner and edge-sharing OBi4 tetrahedra. In the fourth O site, O(4) is bonded to one Bi(1), one Bi(3), and two equivalent Bi(6) atoms to form a mixture of corner and edge-sharing OBi4 tetrahedra. In the fifth O site, O(5) is bonded to one Bi(2) and three equivalent Bi(5) atoms to form a mixture of distorted corner and edge-sharing OBi4 tetrahedra. In the sixth O site, O(6) is bonded to one Bi(3), one Bi(5), and two equivalent Bi(2) atoms to form a mixture of corner and edge-sharing OBi4 tetrahedra. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Bi(4) and two equivalent Bi(2) atoms. In the eighth O site, O(8) is bonded to one Bi(2), one Bi(6), and two equivalent Bi(3) atoms to form a mixture of corner and edge-sharing OBi4 tetrahedra. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a 4-coordinate geometry to two equivalent Bi(4) and two equivalent Bi(5) atoms. In the second Br site, Br(3) is bonded in a 4-coordinate geometry to two equivalent Bi(1) and two equivalent Bi(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Bi12Br5O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.811
_cell_length_b   15.811
_cell_length_c   10.233
_cell_angle_alpha   89.510
_cell_angle_beta   89.510
_cell_angle_gamma   14.521
_symmetry_Int_Tables_number   1
_cell_volume   641.390
_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  0.531  0.531  0.232  1.0
  Bi  Bi1  1  0.469  0.469  0.768  1.0
  Bi  Bi2  1  0.827  0.827  0.238  1.0
  Bi  Bi3  1  0.173  0.173  0.762  1.0
  Bi  Bi4  1  0.413  0.413  0.395  1.0
  Bi  Bi5  1  0.587  0.587  0.605  1.0
  Bi  Bi6  1  0.649  0.649  0.067  1.0
  Bi  Bi7  1  0.351  0.351  0.933  1.0
  Bi  Bi8  1  0.705  0.705  0.441  1.0
  Bi  Bi9  1  0.295  0.295  0.559  1.0
  Bi  Bi10  1  0.942  0.942  0.076  1.0
  Bi  Bi11  1  0.058  0.058  0.924  1.0
  Br  Br12  1  0.222  0.222  0.187  1.0
  Br  Br13  1  0.778  0.778  0.813  1.0
  Br  Br14  1  0.000  0.000  0.500  1.0
  Br  Br15  1  0.887  0.887  0.653  1.0
  Br  Br16  1  0.113  0.113  0.347  1.0
  O  O17  1  0.574  0.574  0.051  1.0
  O  O18  1  0.426  0.426  0.949  1.0
  O  O19  1  0.867  0.867  0.029  1.0
  O  O20  1  0.133  0.133  0.971  1.0
  O  O21  1  0.981  0.981  0.868  1.0
  O  O22  1  0.019  0.019  0.132  1.0
  O  O23  1  0.458  0.458  0.216  1.0
  O  O24  1  0.542  0.542  0.784  1.0
  O  O25  1  0.777  0.777  0.462  1.0
  O  O26  1  0.223  0.223  0.538  1.0
  O  O27  1  0.659  0.659  0.614  1.0
  O  O28  1  0.341  0.341  0.386  1.0
  O  O29  1  0.323  0.323  0.125  1.0
  O  O30  1  0.677  0.677  0.875  1.0
  O  O31  1  0.897  0.897  0.295  1.0
  O  O32  1  0.103  0.103  0.705  1.0
[/CIF]
.