The material structure described by Bi2Te(IO3)O5Cl crystallizes in the monoclinic Cc space group. There are four inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to one O(15), one O(2), one O(3), one O(4), one O(5), one O(6), and one Cl(2) atom. In the second Bi site, Bi(2) is bonded in a 7-coordinate geometry to one O(12), one O(16), one O(3), one O(5), one O(6), one O(9), and one Cl(2) atom. In the third Bi site, Bi(3) is bonded in a 7-coordinate geometry to one O(1), one O(14), one O(2), one O(4), one O(7), one O(8), and one Cl(1) atom. In the fourth Bi site, Bi(4) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(11), one O(13), one O(14), one O(7), and one O(8) atom. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one O(10), one O(2), one O(5), one O(6), one O(8), and one O(9) atom to form edge-sharing TeO6 octahedra. In the second Te site, Te(2) is bonded to one O(1), one O(10), one O(3), one O(4), one O(7), and one O(9) atom to form edge-sharing TeO6 octahedra. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Bi(3), one Bi(4), and one Te(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Bi(1), one Bi(3), and one Te(1) 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 Te(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Bi(1), one Bi(3), and one Te(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Bi(1), one Bi(2), and one Te(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Bi(1), one Bi(2), and one Te(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Bi(3), one Bi(4), and one Te(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Bi(3), one Bi(4), and one Te(1) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Bi(2), one Te(1), and one Te(2) atom. In the tenth O site, O(10) is bonded in a distorted water-like geometry to one Bi(4), one Te(1), and one Te(2) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Bi(4) and one I(1) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one Bi(2) and one I(2) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Bi(4), one I(1), and one I(2) atom. In the fourteenth O site, O(14) is bonded in a distorted single-bond geometry to one Bi(3), one Bi(4), and one I(2) atom. In the fifteenth O site, O(15) is bonded in a bent 120 degrees geometry to one Bi(1) and one I(1) atom. In the sixteenth O site, O(16) is bonded in a distorted bent 120 degrees geometry to one Bi(2) and one I(2) atom. There are two inequivalent I sites. In the first I site, I(1) is bonded in a distorted trigonal non-coplanar geometry to one O(11), one O(13), one O(15), and one Cl(2) atom. In the second I site, I(2) is bonded in a 3-coordinate geometry to one O(12), one O(13), one O(14), and one O(16) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Bi(3) atom. In the second Cl site, Cl(2) is bonded in a 3-coordinate geometry to one Bi(1), one Bi(2), and one I(1) atom. is represented by the CIF card [CIF]
data_Bi2TeIClO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.444
_cell_length_b   11.444
_cell_length_c   15.369
_cell_angle_alpha   75.769
_cell_angle_beta   75.769
_cell_angle_gamma   27.066
_symmetry_Int_Tables_number   1
_cell_volume   886.107
_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  0.450  0.710  0.941  1.0
  Bi  Bi1  1  0.710  0.450  0.441  1.0
  Bi  Bi2  1  0.337  0.754  0.206  1.0
  Bi  Bi3  1  0.754  0.337  0.706  1.0
  Bi  Bi4  1  0.112  0.383  0.855  1.0
  Bi  Bi5  1  0.383  0.112  0.355  1.0
  Bi  Bi6  1  0.472  0.086  0.096  1.0
  Bi  Bi7  1  0.086  0.472  0.596  1.0
  Te  Te8  1  0.958  0.324  0.060  1.0
  Te  Te9  1  0.324  0.958  0.560  1.0
  Te  Te10  1  0.500  0.864  0.734  1.0
  Te  Te11  1  0.864  0.500  0.234  1.0
  I  I12  1  0.105  0.707  0.965  1.0
  I  I13  1  0.707  0.105  0.465  1.0
  I  I14  1  0.688  0.186  0.165  1.0
  I  I15  1  0.186  0.688  0.665  1.0
  Cl  Cl16  1  0.731  0.875  0.898  1.0
  Cl  Cl17  1  0.875  0.731  0.398  1.0
  Cl  Cl18  1  0.910  0.131  0.888  1.0
  Cl  Cl19  1  0.131  0.910  0.388  1.0
  O  O20  1  0.372  0.140  0.698  1.0
  O  O21  1  0.140  0.372  0.198  1.0
  O  O22  1  0.829  0.487  0.941  1.0
  O  O23  1  0.487  0.829  0.441  1.0
  O  O24  1  0.582  0.623  0.781  1.0
  O  O25  1  0.623  0.582  0.281  1.0
  O  O26  1  0.334  0.002  0.851  1.0
  O  O27  1  0.002  0.334  0.351  1.0
  O  O28  1  0.181  0.995  0.050  1.0
  O  O29  1  0.995  0.181  0.550  1.0
  O  O30  1  0.665  0.472  0.089  1.0
  O  O31  1  0.472  0.665  0.589  1.0
  O  O32  1  0.843  0.611  0.745  1.0
  O  O33  1  0.611  0.843  0.245  1.0
  O  O34  1  0.216  0.217  0.014  1.0
  O  O35  1  0.217  0.216  0.514  1.0
  O  O36  1  0.186  0.081  0.684  1.0
  O  O37  1  0.081  0.186  0.184  1.0
  O  O38  1  0.636  0.740  0.610  1.0
  O  O39  1  0.740  0.636  0.110  1.0
  O  O40  1  0.274  0.413  0.994  1.0
  O  O41  1  0.413  0.274  0.494  1.0
  O  O42  1  0.542  0.389  0.252  1.0
  O  O43  1  0.389  0.542  0.752  1.0
  O  O44  1  0.847  0.913  0.054  1.0
  O  O45  1  0.913  0.847  0.554  1.0
  O  O46  1  0.536  0.171  0.208  1.0
  O  O47  1  0.171  0.536  0.708  1.0
  O  O48  1  0.328  0.600  0.011  1.0
  O  O49  1  0.600  0.328  0.511  1.0
  O  O50  1  0.008  0.886  0.208  1.0
  O  O51  1  0.886  0.008  0.708  1.0
[/CIF]
.
The material structure described by Bi2Te(IO3)O5Cl crystallizes in the monoclinic Cc space group. There are four inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to one O(15), one O(2), one O(3), one O(4), one O(5), one O(6), and one Cl(2) atom. In the second Bi site, Bi(2) is bonded in a 7-coordinate geometry to one O(12), one O(16), one O(3), one O(5), one O(6), one O(9), and one Cl(2) atom. In the third Bi site, Bi(3) is bonded in a 7-coordinate geometry to one O(1), one O(14), one O(2), one O(4), one O(7), one O(8), and one Cl(1) atom. In the fourth Bi site, Bi(4) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(11), one O(13), one O(14), one O(7), and one O(8) atom. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one O(10), one O(2), one O(5), one O(6), one O(8), and one O(9) atom to form edge-sharing TeO6 octahedra. In the second Te site, Te(2) is bonded to one O(1), one O(10), one O(3), one O(4), one O(7), and one O(9) atom to form edge-sharing TeO6 octahedra. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Bi(3), one Bi(4), and one Te(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Bi(1), one Bi(3), and one Te(1) 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 Te(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Bi(1), one Bi(3), and one Te(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Bi(1), one Bi(2), and one Te(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Bi(1), one Bi(2), and one Te(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Bi(3), one Bi(4), and one Te(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Bi(3), one Bi(4), and one Te(1) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Bi(2), one Te(1), and one Te(2) atom. In the tenth O site, O(10) is bonded in a distorted water-like geometry to one Bi(4), one Te(1), and one Te(2) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Bi(4) and one I(1) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one Bi(2) and one I(2) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Bi(4), one I(1), and one I(2) atom. In the fourteenth O site, O(14) is bonded in a distorted single-bond geometry to one Bi(3), one Bi(4), and one I(2) atom. In the fifteenth O site, O(15) is bonded in a bent 120 degrees geometry to one Bi(1) and one I(1) atom. In the sixteenth O site, O(16) is bonded in a distorted bent 120 degrees geometry to one Bi(2) and one I(2) atom. There are two inequivalent I sites. In the first I site, I(1) is bonded in a distorted trigonal non-coplanar geometry to one O(11), one O(13), one O(15), and one Cl(2) atom. In the second I site, I(2) is bonded in a 3-coordinate geometry to one O(12), one O(13), one O(14), and one O(16) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Bi(3) atom. In the second Cl site, Cl(2) is bonded in a 3-coordinate geometry to one Bi(1), one Bi(2), and one I(1) atom. is represented by the CIF card [CIF]
data_Bi2TeIClO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.444
_cell_length_b   11.444
_cell_length_c   15.369
_cell_angle_alpha   75.769
_cell_angle_beta   75.769
_cell_angle_gamma   27.066
_symmetry_Int_Tables_number   1
_cell_volume   886.107
_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  0.450  0.710  0.941  1.0
  Bi  Bi1  1  0.710  0.450  0.441  1.0
  Bi  Bi2  1  0.337  0.754  0.206  1.0
  Bi  Bi3  1  0.754  0.337  0.706  1.0
  Bi  Bi4  1  0.112  0.383  0.855  1.0
  Bi  Bi5  1  0.383  0.112  0.355  1.0
  Bi  Bi6  1  0.472  0.086  0.096  1.0
  Bi  Bi7  1  0.086  0.472  0.596  1.0
  Te  Te8  1  0.958  0.324  0.060  1.0
  Te  Te9  1  0.324  0.958  0.560  1.0
  Te  Te10  1  0.500  0.864  0.734  1.0
  Te  Te11  1  0.864  0.500  0.234  1.0
  I  I12  1  0.105  0.707  0.965  1.0
  I  I13  1  0.707  0.105  0.465  1.0
  I  I14  1  0.688  0.186  0.165  1.0
  I  I15  1  0.186  0.688  0.665  1.0
  Cl  Cl16  1  0.731  0.875  0.898  1.0
  Cl  Cl17  1  0.875  0.731  0.398  1.0
  Cl  Cl18  1  0.910  0.131  0.888  1.0
  Cl  Cl19  1  0.131  0.910  0.388  1.0
  O  O20  1  0.372  0.140  0.698  1.0
  O  O21  1  0.140  0.372  0.198  1.0
  O  O22  1  0.829  0.487  0.941  1.0
  O  O23  1  0.487  0.829  0.441  1.0
  O  O24  1  0.582  0.623  0.781  1.0
  O  O25  1  0.623  0.582  0.281  1.0
  O  O26  1  0.334  0.002  0.851  1.0
  O  O27  1  0.002  0.334  0.351  1.0
  O  O28  1  0.181  0.995  0.050  1.0
  O  O29  1  0.995  0.181  0.550  1.0
  O  O30  1  0.665  0.472  0.089  1.0
  O  O31  1  0.472  0.665  0.589  1.0
  O  O32  1  0.843  0.611  0.745  1.0
  O  O33  1  0.611  0.843  0.245  1.0
  O  O34  1  0.216  0.217  0.014  1.0
  O  O35  1  0.217  0.216  0.514  1.0
  O  O36  1  0.186  0.081  0.684  1.0
  O  O37  1  0.081  0.186  0.184  1.0
  O  O38  1  0.636  0.740  0.610  1.0
  O  O39  1  0.740  0.636  0.110  1.0
  O  O40  1  0.274  0.413  0.994  1.0
  O  O41  1  0.413  0.274  0.494  1.0
  O  O42  1  0.542  0.389  0.252  1.0
  O  O43  1  0.389  0.542  0.752  1.0
  O  O44  1  0.847  0.913  0.054  1.0
  O  O45  1  0.913  0.847  0.554  1.0
  O  O46  1  0.536  0.171  0.208  1.0
  O  O47  1  0.171  0.536  0.708  1.0
  O  O48  1  0.328  0.600  0.011  1.0
  O  O49  1  0.600  0.328  0.511  1.0
  O  O50  1  0.008  0.886  0.208  1.0
  O  O51  1  0.886  0.008  0.708  1.0
[/CIF]
.