The crystal structure described by Bi5O7Br crystallizes in the orthorhombic Cmce space group. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1) and three equivalent O(4) atoms. In the second Bi site, Bi(2) is bonded in a 4-coordinate geometry to four equivalent O(3) and one Br(1) atom. In the third Bi site, Bi(3) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Bi(1) and two equivalent Bi(3) atoms. In the second O site, O(2) is bonded to four equivalent Bi(3) 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(2) and two equivalent Bi(3) atoms to form a mixture of corner and edge-sharing OBi4 tetrahedra. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Bi(1) atoms. Br(1) is bonded in a distorted single-bond geometry to one Bi(2) atom. is represented by the CIF card [CIF]
data_Bi5BrO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.676
_cell_length_b   8.676
_cell_length_c   23.774
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   143.438
_symmetry_Int_Tables_number   1
_cell_volume   1065.909
_cell_formula_units_Z   4
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  0.386  0.043  0.061  1.0
  Bi  Bi1  1  0.284  0.284  0.202  1.0
  Bi  Bi2  1  0.784  0.784  0.298  1.0
  Bi  Bi3  1  0.985  0.634  0.191  1.0
  Bi  Bi4  1  0.015  0.366  0.809  1.0
  Bi  Bi5  1  0.134  0.485  0.309  1.0
  Bi  Bi6  1  0.515  0.866  0.691  1.0
  Bi  Bi7  1  0.886  0.543  0.439  1.0
  Bi  Bi8  1  0.114  0.457  0.561  1.0
  Bi  Bi9  1  0.634  0.985  0.191  1.0
  Bi  Bi10  1  0.866  0.515  0.691  1.0
  Bi  Bi11  1  0.614  0.957  0.939  1.0
  Bi  Bi12  1  0.216  0.216  0.702  1.0
  Bi  Bi13  1  0.457  0.114  0.561  1.0
  Bi  Bi14  1  0.957  0.614  0.939  1.0
  Bi  Bi15  1  0.043  0.386  0.061  1.0
  Bi  Bi16  1  0.543  0.886  0.439  1.0
  Bi  Bi17  1  0.366  0.015  0.809  1.0
  Bi  Bi18  1  0.716  0.716  0.798  1.0
  Bi  Bi19  1  0.485  0.134  0.309  1.0
  Br  Br20  1  0.319  0.319  0.395  1.0
  Br  Br21  1  0.819  0.819  0.105  1.0
  Br  Br22  1  0.681  0.681  0.605  1.0
  Br  Br23  1  0.181  0.181  0.895  1.0
  O  O24  1  0.993  0.612  0.850  1.0
  O  O25  1  0.270  0.770  0.250  1.0
  O  O26  1  0.612  0.993  0.850  1.0
  O  O27  1  0.730  0.230  0.750  1.0
  O  O28  1  0.554  0.391  0.747  1.0
  O  O29  1  0.391  0.554  0.747  1.0
  O  O30  1  0.112  0.493  0.650  1.0
  O  O31  1  0.630  0.039  0.050  1.0
  O  O32  1  0.493  0.112  0.650  1.0
  O  O33  1  0.539  0.130  0.450  1.0
  O  O34  1  0.370  0.961  0.950  1.0
  O  O35  1  0.770  0.270  0.250  1.0
  O  O36  1  0.609  0.446  0.253  1.0
  O  O37  1  0.054  0.891  0.753  1.0
  O  O38  1  0.039  0.630  0.050  1.0
  O  O39  1  0.507  0.888  0.350  1.0
  O  O40  1  0.961  0.370  0.950  1.0
  O  O41  1  0.109  0.946  0.247  1.0
  O  O42  1  0.946  0.109  0.247  1.0
  O  O43  1  0.230  0.730  0.750  1.0
  O  O44  1  0.388  0.007  0.150  1.0
  O  O45  1  0.891  0.054  0.753  1.0
  O  O46  1  0.007  0.388  0.150  1.0
  O  O47  1  0.446  0.609  0.253  1.0
  O  O48  1  0.888  0.507  0.350  1.0
  O  O49  1  0.130  0.539  0.450  1.0
  O  O50  1  0.870  0.461  0.550  1.0
  O  O51  1  0.461  0.870  0.550  1.0
[/CIF]
.
The crystal structure described by Bi5O7Br crystallizes in the orthorhombic Cmce space group. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1) and three equivalent O(4) atoms. In the second Bi site, Bi(2) is bonded in a 4-coordinate geometry to four equivalent O(3) and one Br(1) atom. In the third Bi site, Bi(3) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Bi(1) and two equivalent Bi(3) atoms. In the second O site, O(2) is bonded to four equivalent Bi(3) 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(2) and two equivalent Bi(3) atoms to form a mixture of corner and edge-sharing OBi4 tetrahedra. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Bi(1) atoms. Br(1) is bonded in a distorted single-bond geometry to one Bi(2) atom. is represented by the CIF card [CIF]
data_Bi5BrO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.676
_cell_length_b   8.676
_cell_length_c   23.774
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   143.438
_symmetry_Int_Tables_number   1
_cell_volume   1065.909
_cell_formula_units_Z   4
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  0.386  0.043  0.061  1.0
  Bi  Bi1  1  0.284  0.284  0.202  1.0
  Bi  Bi2  1  0.784  0.784  0.298  1.0
  Bi  Bi3  1  0.985  0.634  0.191  1.0
  Bi  Bi4  1  0.015  0.366  0.809  1.0
  Bi  Bi5  1  0.134  0.485  0.309  1.0
  Bi  Bi6  1  0.515  0.866  0.691  1.0
  Bi  Bi7  1  0.886  0.543  0.439  1.0
  Bi  Bi8  1  0.114  0.457  0.561  1.0
  Bi  Bi9  1  0.634  0.985  0.191  1.0
  Bi  Bi10  1  0.866  0.515  0.691  1.0
  Bi  Bi11  1  0.614  0.957  0.939  1.0
  Bi  Bi12  1  0.216  0.216  0.702  1.0
  Bi  Bi13  1  0.457  0.114  0.561  1.0
  Bi  Bi14  1  0.957  0.614  0.939  1.0
  Bi  Bi15  1  0.043  0.386  0.061  1.0
  Bi  Bi16  1  0.543  0.886  0.439  1.0
  Bi  Bi17  1  0.366  0.015  0.809  1.0
  Bi  Bi18  1  0.716  0.716  0.798  1.0
  Bi  Bi19  1  0.485  0.134  0.309  1.0
  Br  Br20  1  0.319  0.319  0.395  1.0
  Br  Br21  1  0.819  0.819  0.105  1.0
  Br  Br22  1  0.681  0.681  0.605  1.0
  Br  Br23  1  0.181  0.181  0.895  1.0
  O  O24  1  0.993  0.612  0.850  1.0
  O  O25  1  0.270  0.770  0.250  1.0
  O  O26  1  0.612  0.993  0.850  1.0
  O  O27  1  0.730  0.230  0.750  1.0
  O  O28  1  0.554  0.391  0.747  1.0
  O  O29  1  0.391  0.554  0.747  1.0
  O  O30  1  0.112  0.493  0.650  1.0
  O  O31  1  0.630  0.039  0.050  1.0
  O  O32  1  0.493  0.112  0.650  1.0
  O  O33  1  0.539  0.130  0.450  1.0
  O  O34  1  0.370  0.961  0.950  1.0
  O  O35  1  0.770  0.270  0.250  1.0
  O  O36  1  0.609  0.446  0.253  1.0
  O  O37  1  0.054  0.891  0.753  1.0
  O  O38  1  0.039  0.630  0.050  1.0
  O  O39  1  0.507  0.888  0.350  1.0
  O  O40  1  0.961  0.370  0.950  1.0
  O  O41  1  0.109  0.946  0.247  1.0
  O  O42  1  0.946  0.109  0.247  1.0
  O  O43  1  0.230  0.730  0.750  1.0
  O  O44  1  0.388  0.007  0.150  1.0
  O  O45  1  0.891  0.054  0.753  1.0
  O  O46  1  0.007  0.388  0.150  1.0
  O  O47  1  0.446  0.609  0.253  1.0
  O  O48  1  0.888  0.507  0.350  1.0
  O  O49  1  0.130  0.539  0.450  1.0
  O  O50  1  0.870  0.461  0.550  1.0
  O  O51  1  0.461  0.870  0.550  1.0
[/CIF]
.