The material described by Bi4O5I2 crystallizes in the monoclinic P2_1 space group. The structure consists of two hydriodic acid atoms inside a Bi8O10I3 framework. In the Bi8O10I3 framework, there are eight inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a distorted T-shaped geometry to one O(1), one O(2), and one O(3) atom. In the second Bi site, Bi(2) is bonded in a distorted T-shaped geometry to one O(2), one O(3), one O(4), and one I(3) atom. In the third Bi site, Bi(3) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(5), one O(6), one O(9), and one I(4) atom. In the fourth Bi site, Bi(4) is bonded in a 6-coordinate geometry to one O(1), one O(3), two equivalent O(5), two equivalent O(6), and one I(4) atom. In the fifth Bi site, Bi(5) is bonded in a 6-coordinate geometry to one O(10), one O(2), one O(4), one O(5), one O(6), one O(9), and one I(2) atom. In the sixth Bi site, Bi(6) is bonded in a 5-coordinate geometry to one O(10), one O(4), one O(7), one O(8), one O(9), and one I(2) atom. In the seventh Bi site, Bi(7) is bonded in a 4-coordinate geometry to two equivalent O(7), two equivalent O(8), and one I(3) atom. In the eighth Bi site, Bi(8) is bonded in a 4-coordinate geometry to one O(10), one O(7), one O(8), one O(9), and two equivalent I(3) atoms. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Bi(1), one Bi(3), and one Bi(4) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Bi(1), one Bi(2), and one Bi(5) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Bi(1), one Bi(2), and one Bi(4) atom. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one Bi(2), one Bi(5), and one Bi(6) atom. In the fifth O site, O(5) is bonded to one Bi(3), one Bi(5), and two equivalent Bi(4) 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(4) atoms to form a mixture of distorted corner and edge-sharing OBi4 tetrahedra. In the seventh O site, O(7) is bonded to one Bi(6), one Bi(8), and two equivalent Bi(7) atoms to form a mixture of corner and edge-sharing OBi4 tetrahedra. In the eighth O site, O(8) is bonded to one Bi(6), one Bi(8), and two equivalent Bi(7) atoms to form a mixture of corner and edge-sharing OBi4 tetrahedra. In the ninth O site, O(9) is bonded to one Bi(3), one Bi(5), one Bi(6), and one Bi(8) atom to form a mixture of distorted corner and edge-sharing OBi4 tetrahedra. In the tenth O site, O(10) is bonded to one Bi(3), one Bi(5), one Bi(6), and one Bi(8) atom to form a mixture of distorted corner and edge-sharing OBi4 tetrahedra. There are three inequivalent I sites. In the first I site, I(2) is bonded in a 2-coordinate geometry to one Bi(5) and one Bi(6) atom. In the second I site, I(3) is bonded in a 4-coordinate geometry to one Bi(2), one Bi(7), and two equivalent Bi(8) atoms. In the third I site, I(4) is bonded in a 2-coordinate geometry to one Bi(3) and one Bi(4) atom. is represented by the CIF file [CIF]
data_Bi4I2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.733
_cell_length_b   11.374
_cell_length_c   15.042
_cell_angle_alpha   79.845
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   965.481
_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  0.249  0.773  0.145  1.0
  Bi  Bi1  1  0.749  0.227  0.855  1.0
  Bi  Bi2  1  0.750  0.625  0.297  1.0
  Bi  Bi3  1  0.250  0.375  0.703  1.0
  Bi  Bi4  1  0.197  0.730  0.885  1.0
  Bi  Bi5  1  0.697  0.270  0.115  1.0
  Bi  Bi6  1  0.636  0.589  0.043  1.0
  Bi  Bi7  1  0.136  0.411  0.957  1.0
  Bi  Bi8  1  0.165  0.430  0.213  1.0
  Bi  Bi9  1  0.665  0.570  0.787  1.0
  Bi  Bi10  1  0.736  0.267  0.364  1.0
  Bi  Bi11  1  0.236  0.733  0.636  1.0
  Bi  Bi12  1  0.246  0.074  0.540  1.0
  Bi  Bi13  1  0.746  0.926  0.460  1.0
  Bi  Bi14  1  0.744  0.907  0.705  1.0
  Bi  Bi15  1  0.244  0.093  0.295  1.0
  I  I16  1  0.252  0.775  0.384  1.0
  I  I17  1  0.752  0.225  0.616  1.0
  I  I18  1  0.774  0.604  0.559  1.0
  I  I19  1  0.274  0.396  0.441  1.0
  I  I20  1  0.750  0.945  0.221  1.0
  I  I21  1  0.762  0.879  0.954  1.0
  I  I22  1  0.262  0.121  0.046  1.0
  I  I23  1  0.250  0.055  0.779  1.0
  O  O24  1  0.283  0.683  0.034  1.0
  O  O25  1  0.783  0.317  0.966  1.0
  O  O26  1  0.007  0.638  0.194  1.0
  O  O27  1  0.507  0.362  0.806  1.0
  O  O28  1  0.506  0.640  0.190  1.0
  O  O29  1  0.006  0.360  0.810  1.0
  O  O30  1  0.798  0.446  0.281  1.0
  O  O31  1  0.298  0.554  0.719  1.0
  O  O32  1  0.957  0.421  0.093  1.0
  O  O33  1  0.457  0.579  0.907  1.0
  O  O34  1  0.454  0.420  0.089  1.0
  O  O35  1  0.954  0.580  0.911  1.0
  O  O36  1  0.987  0.924  0.580  1.0
  O  O37  1  0.487  0.076  0.420  1.0
  O  O38  1  0.506  0.922  0.581  1.0
  O  O39  1  0.006  0.078  0.419  1.0
  O  O40  1  0.482  0.247  0.260  1.0
  O  O41  1  0.496  0.756  0.744  1.0
  O  O42  1  0.996  0.244  0.256  1.0
  O  O43  1  0.982  0.753  0.740  1.0
[/CIF]
.
The material described by Bi4O5I2 crystallizes in the monoclinic P2_1 space group. The structure consists of two hydriodic acid atoms inside a Bi8O10I3 framework. In the Bi8O10I3 framework, there are eight inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a distorted T-shaped geometry to one O(1), one O(2), and one O(3) atom. In the second Bi site, Bi(2) is bonded in a distorted T-shaped geometry to one O(2), one O(3), one O(4), and one I(3) atom. In the third Bi site, Bi(3) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(5), one O(6), one O(9), and one I(4) atom. In the fourth Bi site, Bi(4) is bonded in a 6-coordinate geometry to one O(1), one O(3), two equivalent O(5), two equivalent O(6), and one I(4) atom. In the fifth Bi site, Bi(5) is bonded in a 6-coordinate geometry to one O(10), one O(2), one O(4), one O(5), one O(6), one O(9), and one I(2) atom. In the sixth Bi site, Bi(6) is bonded in a 5-coordinate geometry to one O(10), one O(4), one O(7), one O(8), one O(9), and one I(2) atom. In the seventh Bi site, Bi(7) is bonded in a 4-coordinate geometry to two equivalent O(7), two equivalent O(8), and one I(3) atom. In the eighth Bi site, Bi(8) is bonded in a 4-coordinate geometry to one O(10), one O(7), one O(8), one O(9), and two equivalent I(3) atoms. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Bi(1), one Bi(3), and one Bi(4) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Bi(1), one Bi(2), and one Bi(5) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Bi(1), one Bi(2), and one Bi(4) atom. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one Bi(2), one Bi(5), and one Bi(6) atom. In the fifth O site, O(5) is bonded to one Bi(3), one Bi(5), and two equivalent Bi(4) 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(4) atoms to form a mixture of distorted corner and edge-sharing OBi4 tetrahedra. In the seventh O site, O(7) is bonded to one Bi(6), one Bi(8), and two equivalent Bi(7) atoms to form a mixture of corner and edge-sharing OBi4 tetrahedra. In the eighth O site, O(8) is bonded to one Bi(6), one Bi(8), and two equivalent Bi(7) atoms to form a mixture of corner and edge-sharing OBi4 tetrahedra. In the ninth O site, O(9) is bonded to one Bi(3), one Bi(5), one Bi(6), and one Bi(8) atom to form a mixture of distorted corner and edge-sharing OBi4 tetrahedra. In the tenth O site, O(10) is bonded to one Bi(3), one Bi(5), one Bi(6), and one Bi(8) atom to form a mixture of distorted corner and edge-sharing OBi4 tetrahedra. There are three inequivalent I sites. In the first I site, I(2) is bonded in a 2-coordinate geometry to one Bi(5) and one Bi(6) atom. In the second I site, I(3) is bonded in a 4-coordinate geometry to one Bi(2), one Bi(7), and two equivalent Bi(8) atoms. In the third I site, I(4) is bonded in a 2-coordinate geometry to one Bi(3) and one Bi(4) atom. is represented by the CIF file [CIF]
data_Bi4I2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.733
_cell_length_b   11.374
_cell_length_c   15.042
_cell_angle_alpha   79.845
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   965.481
_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  0.249  0.773  0.145  1.0
  Bi  Bi1  1  0.749  0.227  0.855  1.0
  Bi  Bi2  1  0.750  0.625  0.297  1.0
  Bi  Bi3  1  0.250  0.375  0.703  1.0
  Bi  Bi4  1  0.197  0.730  0.885  1.0
  Bi  Bi5  1  0.697  0.270  0.115  1.0
  Bi  Bi6  1  0.636  0.589  0.043  1.0
  Bi  Bi7  1  0.136  0.411  0.957  1.0
  Bi  Bi8  1  0.165  0.430  0.213  1.0
  Bi  Bi9  1  0.665  0.570  0.787  1.0
  Bi  Bi10  1  0.736  0.267  0.364  1.0
  Bi  Bi11  1  0.236  0.733  0.636  1.0
  Bi  Bi12  1  0.246  0.074  0.540  1.0
  Bi  Bi13  1  0.746  0.926  0.460  1.0
  Bi  Bi14  1  0.744  0.907  0.705  1.0
  Bi  Bi15  1  0.244  0.093  0.295  1.0
  I  I16  1  0.252  0.775  0.384  1.0
  I  I17  1  0.752  0.225  0.616  1.0
  I  I18  1  0.774  0.604  0.559  1.0
  I  I19  1  0.274  0.396  0.441  1.0
  I  I20  1  0.750  0.945  0.221  1.0
  I  I21  1  0.762  0.879  0.954  1.0
  I  I22  1  0.262  0.121  0.046  1.0
  I  I23  1  0.250  0.055  0.779  1.0
  O  O24  1  0.283  0.683  0.034  1.0
  O  O25  1  0.783  0.317  0.966  1.0
  O  O26  1  0.007  0.638  0.194  1.0
  O  O27  1  0.507  0.362  0.806  1.0
  O  O28  1  0.506  0.640  0.190  1.0
  O  O29  1  0.006  0.360  0.810  1.0
  O  O30  1  0.798  0.446  0.281  1.0
  O  O31  1  0.298  0.554  0.719  1.0
  O  O32  1  0.957  0.421  0.093  1.0
  O  O33  1  0.457  0.579  0.907  1.0
  O  O34  1  0.454  0.420  0.089  1.0
  O  O35  1  0.954  0.580  0.911  1.0
  O  O36  1  0.987  0.924  0.580  1.0
  O  O37  1  0.487  0.076  0.420  1.0
  O  O38  1  0.506  0.922  0.581  1.0
  O  O39  1  0.006  0.078  0.419  1.0
  O  O40  1  0.482  0.247  0.260  1.0
  O  O41  1  0.496  0.756  0.744  1.0
  O  O42  1  0.996  0.244  0.256  1.0
  O  O43  1  0.982  0.753  0.740  1.0
[/CIF]
.