The structure described by Bi6(SeO3)3O5Br2 crystallizes in the triclinic P-1 space group. There are six inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(7), and two equivalent O(5) atoms. In the second Bi site, Bi(2) is bonded in a 7-coordinate geometry to one O(10), one O(11), one O(12), one O(2), one O(3), one O(4), and one O(7) atom. In the third Bi site, Bi(3) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(5), two equivalent O(4), and one Br(1) atom. In the fourth Bi site, Bi(4) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(6), two equivalent O(3), and one Br(2) atom. In the fifth Bi site, Bi(5) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(6), one O(8), one O(9), one Br(1), and one Br(2) atom. In the sixth Bi site, Bi(6) is bonded in a 5-coordinate geometry to one O(1), one O(12), one O(13), one O(14), one O(7), one Br(1), and one Br(2) atom. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted trigonal non-coplanar geometry to one O(10), one O(11), and one O(6) atom. In the second Se site, Se(2) is bonded in a distorted trigonal non-coplanar geometry to one O(12), one O(13), and one O(14) atom. In the third Se site, Se(3) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(8), and one O(9) atom. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Bi(1), one Bi(3), one Bi(6), and one Se(3) atom. In the second O site, O(2) is bonded in a distorted tetrahedral geometry to one Bi(1), one Bi(2), one Bi(3), and one Bi(5) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Bi(2), one Bi(5), and two equivalent Bi(4) atoms. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one Bi(2) and two equivalent Bi(3) atoms. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one Bi(3) and two equivalent Bi(1) atoms. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Bi(4), one Bi(5), and one Se(1) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Bi(1), one Bi(2), and one Bi(6) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Bi(5) and one Se(3) atom. In the ninth O site, O(9) is bonded in a 2-coordinate geometry to one Bi(5) and one Se(3) atom. In the tenth O site, O(10) is bonded in a 1-coordinate geometry to one Bi(2), one Bi(4), and one Se(1) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Bi(2), one Bi(4), and one Se(1) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Bi(2), one Bi(6), and one Se(2) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 120 degrees geometry to one Bi(6) and one Se(2) atom. In the fourteenth O site, O(14) is bonded in a 2-coordinate geometry to one Bi(6) and one Se(2) atom. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a 3-coordinate geometry to one Bi(3), one Bi(5), and one Bi(6) atom. In the second Br site, Br(2) is bonded in a 3-coordinate geometry to one Bi(4), one Bi(5), and one Bi(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Bi6Se3(BrO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.238
_cell_length_b   11.271
_cell_length_c   12.365
_cell_angle_alpha   66.913
_cell_angle_beta   81.842
_cell_angle_gamma   77.984
_symmetry_Int_Tables_number   1
_cell_volume   905.587
_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  0.540  0.636  0.362  1.0
  Bi  Bi1  1  0.460  0.364  0.638  1.0
  Bi  Bi2  1  0.066  0.812  0.327  1.0
  Bi  Bi3  1  0.934  0.188  0.673  1.0
  Bi  Bi4  1  0.137  0.460  0.380  1.0
  Bi  Bi5  1  0.863  0.540  0.620  1.0
  Bi  Bi6  1  0.804  0.921  0.007  1.0
  Bi  Bi7  1  0.196  0.079  0.993  1.0
  Bi  Bi8  1  0.289  0.707  0.068  1.0
  Bi  Bi9  1  0.711  0.293  0.932  1.0
  Bi  Bi10  1  0.317  0.754  0.613  1.0
  Bi  Bi11  1  0.683  0.246  0.387  1.0
  Se  Se12  1  0.533  0.014  0.205  1.0
  Se  Se13  1  0.467  0.986  0.795  1.0
  Se  Se14  1  0.240  0.109  0.432  1.0
  Se  Se15  1  0.760  0.891  0.568  1.0
  Se  Se16  1  0.815  0.552  0.135  1.0
  Se  Se17  1  0.185  0.448  0.865  1.0
  Br  Br18  1  0.596  0.611  0.842  1.0
  Br  Br19  1  0.404  0.389  0.158  1.0
  Br  Br20  1  0.057  0.810  0.835  1.0
  Br  Br21  1  0.943  0.190  0.165  1.0
  O  O22  1  0.791  0.464  0.288  1.0
  O  O23  1  0.209  0.536  0.712  1.0
  O  O24  1  0.266  0.669  0.261  1.0
  O  O25  1  0.734  0.331  0.739  1.0
  O  O26  1  0.912  0.112  0.920  1.0
  O  O27  1  0.088  0.888  0.080  1.0
  O  O28  1  0.959  0.625  0.426  1.0
  O  O29  1  0.041  0.375  0.574  1.0
  O  O30  1  0.587  0.545  0.560  1.0
  O  O31  1  0.413  0.455  0.440  1.0
  O  O32  1  0.575  0.094  0.051  1.0
  O  O33  1  0.425  0.906  0.949  1.0
  O  O34  1  0.310  0.752  0.438  1.0
  O  O35  1  0.690  0.248  0.562  1.0
  O  O36  1  0.982  0.642  0.135  1.0
  O  O37  1  0.018  0.358  0.865  1.0
  O  O38  1  0.619  0.674  0.118  1.0
  O  O39  1  0.381  0.326  0.882  1.0
  O  O40  1  0.717  0.884  0.220  1.0
  O  O41  1  0.283  0.116  0.780  1.0
  O  O42  1  0.340  0.950  0.198  1.0
  O  O43  1  0.660  0.050  0.802  1.0
  O  O44  1  0.983  0.807  0.546  1.0
  O  O45  1  0.017  0.193  0.454  1.0
  O  O46  1  0.258  0.978  0.565  1.0
  O  O47  1  0.742  0.022  0.435  1.0
  O  O48  1  0.632  0.790  0.544  1.0
  O  O49  1  0.368  0.210  0.456  1.0
[/CIF]
.
The structure described by Bi6(SeO3)3O5Br2 crystallizes in the triclinic P-1 space group. There are six inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(7), and two equivalent O(5) atoms. In the second Bi site, Bi(2) is bonded in a 7-coordinate geometry to one O(10), one O(11), one O(12), one O(2), one O(3), one O(4), and one O(7) atom. In the third Bi site, Bi(3) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(5), two equivalent O(4), and one Br(1) atom. In the fourth Bi site, Bi(4) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(6), two equivalent O(3), and one Br(2) atom. In the fifth Bi site, Bi(5) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(6), one O(8), one O(9), one Br(1), and one Br(2) atom. In the sixth Bi site, Bi(6) is bonded in a 5-coordinate geometry to one O(1), one O(12), one O(13), one O(14), one O(7), one Br(1), and one Br(2) atom. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted trigonal non-coplanar geometry to one O(10), one O(11), and one O(6) atom. In the second Se site, Se(2) is bonded in a distorted trigonal non-coplanar geometry to one O(12), one O(13), and one O(14) atom. In the third Se site, Se(3) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(8), and one O(9) atom. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Bi(1), one Bi(3), one Bi(6), and one Se(3) atom. In the second O site, O(2) is bonded in a distorted tetrahedral geometry to one Bi(1), one Bi(2), one Bi(3), and one Bi(5) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Bi(2), one Bi(5), and two equivalent Bi(4) atoms. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one Bi(2) and two equivalent Bi(3) atoms. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one Bi(3) and two equivalent Bi(1) atoms. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Bi(4), one Bi(5), and one Se(1) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Bi(1), one Bi(2), and one Bi(6) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Bi(5) and one Se(3) atom. In the ninth O site, O(9) is bonded in a 2-coordinate geometry to one Bi(5) and one Se(3) atom. In the tenth O site, O(10) is bonded in a 1-coordinate geometry to one Bi(2), one Bi(4), and one Se(1) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Bi(2), one Bi(4), and one Se(1) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Bi(2), one Bi(6), and one Se(2) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 120 degrees geometry to one Bi(6) and one Se(2) atom. In the fourteenth O site, O(14) is bonded in a 2-coordinate geometry to one Bi(6) and one Se(2) atom. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a 3-coordinate geometry to one Bi(3), one Bi(5), and one Bi(6) atom. In the second Br site, Br(2) is bonded in a 3-coordinate geometry to one Bi(4), one Bi(5), and one Bi(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Bi6Se3(BrO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.238
_cell_length_b   11.271
_cell_length_c   12.365
_cell_angle_alpha   66.913
_cell_angle_beta   81.842
_cell_angle_gamma   77.984
_symmetry_Int_Tables_number   1
_cell_volume   905.587
_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  0.540  0.636  0.362  1.0
  Bi  Bi1  1  0.460  0.364  0.638  1.0
  Bi  Bi2  1  0.066  0.812  0.327  1.0
  Bi  Bi3  1  0.934  0.188  0.673  1.0
  Bi  Bi4  1  0.137  0.460  0.380  1.0
  Bi  Bi5  1  0.863  0.540  0.620  1.0
  Bi  Bi6  1  0.804  0.921  0.007  1.0
  Bi  Bi7  1  0.196  0.079  0.993  1.0
  Bi  Bi8  1  0.289  0.707  0.068  1.0
  Bi  Bi9  1  0.711  0.293  0.932  1.0
  Bi  Bi10  1  0.317  0.754  0.613  1.0
  Bi  Bi11  1  0.683  0.246  0.387  1.0
  Se  Se12  1  0.533  0.014  0.205  1.0
  Se  Se13  1  0.467  0.986  0.795  1.0
  Se  Se14  1  0.240  0.109  0.432  1.0
  Se  Se15  1  0.760  0.891  0.568  1.0
  Se  Se16  1  0.815  0.552  0.135  1.0
  Se  Se17  1  0.185  0.448  0.865  1.0
  Br  Br18  1  0.596  0.611  0.842  1.0
  Br  Br19  1  0.404  0.389  0.158  1.0
  Br  Br20  1  0.057  0.810  0.835  1.0
  Br  Br21  1  0.943  0.190  0.165  1.0
  O  O22  1  0.791  0.464  0.288  1.0
  O  O23  1  0.209  0.536  0.712  1.0
  O  O24  1  0.266  0.669  0.261  1.0
  O  O25  1  0.734  0.331  0.739  1.0
  O  O26  1  0.912  0.112  0.920  1.0
  O  O27  1  0.088  0.888  0.080  1.0
  O  O28  1  0.959  0.625  0.426  1.0
  O  O29  1  0.041  0.375  0.574  1.0
  O  O30  1  0.587  0.545  0.560  1.0
  O  O31  1  0.413  0.455  0.440  1.0
  O  O32  1  0.575  0.094  0.051  1.0
  O  O33  1  0.425  0.906  0.949  1.0
  O  O34  1  0.310  0.752  0.438  1.0
  O  O35  1  0.690  0.248  0.562  1.0
  O  O36  1  0.982  0.642  0.135  1.0
  O  O37  1  0.018  0.358  0.865  1.0
  O  O38  1  0.619  0.674  0.118  1.0
  O  O39  1  0.381  0.326  0.882  1.0
  O  O40  1  0.717  0.884  0.220  1.0
  O  O41  1  0.283  0.116  0.780  1.0
  O  O42  1  0.340  0.950  0.198  1.0
  O  O43  1  0.660  0.050  0.802  1.0
  O  O44  1  0.983  0.807  0.546  1.0
  O  O45  1  0.017  0.193  0.454  1.0
  O  O46  1  0.258  0.978  0.565  1.0
  O  O47  1  0.742  0.022  0.435  1.0
  O  O48  1  0.632  0.790  0.544  1.0
  O  O49  1  0.368  0.210  0.456  1.0
[/CIF]
.