The compound described by Rb3Bi2I9 crystallizes in the monoclinic C2/c space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 8-coordinate geometry to two equivalent I(2), two equivalent I(3), two equivalent I(4), and two equivalent I(5) atoms. In the second Rb site, Rb(2) is bonded in a 6-coordinate geometry to one I(2), one I(4), two equivalent I(1), and two equivalent I(3) atoms. Bi(1) is bonded to one I(1), one I(3), one I(4), one I(5), and two equivalent I(2) atoms to form face-sharing BiI6 octahedra. There are five inequivalent I sites. In the first I site, I(5) is bonded in a distorted see-saw-like geometry to two equivalent Rb(1) and two equivalent Bi(1) atoms. In the second I site, I(1) is bonded in a 3-coordinate geometry to two equivalent Rb(2) and one Bi(1) atom. In the third I site, I(2) is bonded in a rectangular see-saw-like geometry to one Rb(1), one Rb(2), and two equivalent Bi(1) atoms. In the fourth I site, I(3) is bonded in a distorted rectangular see-saw-like geometry to one Rb(1), two equivalent Rb(2), and one Bi(1) atom. In the fifth I site, I(4) is bonded in a distorted trigonal non-coplanar geometry to one Rb(1), one Rb(2), and one Bi(1) atom. is represented by the CIF card [CIF]
data_Rb3Bi2I9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.431
_cell_length_b   8.431
_cell_length_c   21.674
_cell_angle_alpha   86.902
_cell_angle_beta   86.902
_cell_angle_gamma   120.197
_symmetry_Int_Tables_number   1
_cell_volume   1323.755
_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
  Rb  Rb0  1  0.972  0.028  0.750  1.0
  Rb  Rb1  1  0.678  0.319  0.071  1.0
  Rb  Rb2  1  0.028  0.972  0.250  1.0
  Rb  Rb3  1  0.319  0.678  0.571  1.0
  Rb  Rb4  1  0.322  0.681  0.929  1.0
  Rb  Rb5  1  0.681  0.322  0.429  1.0
  Bi  Bi6  1  0.632  0.304  0.657  1.0
  Bi  Bi7  1  0.368  0.696  0.343  1.0
  Bi  Bi8  1  0.304  0.632  0.157  1.0
  Bi  Bi9  1  0.696  0.368  0.843  1.0
  I  I10  1  0.615  0.777  0.059  1.0
  I  I11  1  0.385  0.223  0.941  1.0
  I  I12  1  0.491  0.994  0.776  1.0
  I  I13  1  0.218  0.895  0.413  1.0
  I  I14  1  0.895  0.218  0.913  1.0
  I  I15  1  0.777  0.615  0.559  1.0
  I  I16  1  0.782  0.105  0.587  1.0
  I  I17  1  0.269  0.098  0.604  1.0
  I  I18  1  0.509  0.006  0.224  1.0
  I  I19  1  0.006  0.509  0.724  1.0
  I  I20  1  0.105  0.782  0.087  1.0
  I  I21  1  0.994  0.491  0.276  1.0
  I  I22  1  0.494  0.506  0.750  1.0
  I  I23  1  0.902  0.731  0.896  1.0
  I  I24  1  0.098  0.269  0.104  1.0
  I  I25  1  0.731  0.902  0.396  1.0
  I  I26  1  0.506  0.494  0.250  1.0
  I  I27  1  0.223  0.385  0.441  1.0
[/CIF]
.
The compound described by Rb3Bi2I9 crystallizes in the monoclinic C2/c space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 8-coordinate geometry to two equivalent I(2), two equivalent I(3), two equivalent I(4), and two equivalent I(5) atoms. In the second Rb site, Rb(2) is bonded in a 6-coordinate geometry to one I(2), one I(4), two equivalent I(1), and two equivalent I(3) atoms. Bi(1) is bonded to one I(1), one I(3), one I(4), one I(5), and two equivalent I(2) atoms to form face-sharing BiI6 octahedra. There are five inequivalent I sites. In the first I site, I(5) is bonded in a distorted see-saw-like geometry to two equivalent Rb(1) and two equivalent Bi(1) atoms. In the second I site, I(1) is bonded in a 3-coordinate geometry to two equivalent Rb(2) and one Bi(1) atom. In the third I site, I(2) is bonded in a rectangular see-saw-like geometry to one Rb(1), one Rb(2), and two equivalent Bi(1) atoms. In the fourth I site, I(3) is bonded in a distorted rectangular see-saw-like geometry to one Rb(1), two equivalent Rb(2), and one Bi(1) atom. In the fifth I site, I(4) is bonded in a distorted trigonal non-coplanar geometry to one Rb(1), one Rb(2), and one Bi(1) atom. is represented by the CIF card [CIF]
data_Rb3Bi2I9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.431
_cell_length_b   8.431
_cell_length_c   21.674
_cell_angle_alpha   86.902
_cell_angle_beta   86.902
_cell_angle_gamma   120.197
_symmetry_Int_Tables_number   1
_cell_volume   1323.755
_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
  Rb  Rb0  1  0.972  0.028  0.750  1.0
  Rb  Rb1  1  0.678  0.319  0.071  1.0
  Rb  Rb2  1  0.028  0.972  0.250  1.0
  Rb  Rb3  1  0.319  0.678  0.571  1.0
  Rb  Rb4  1  0.322  0.681  0.929  1.0
  Rb  Rb5  1  0.681  0.322  0.429  1.0
  Bi  Bi6  1  0.632  0.304  0.657  1.0
  Bi  Bi7  1  0.368  0.696  0.343  1.0
  Bi  Bi8  1  0.304  0.632  0.157  1.0
  Bi  Bi9  1  0.696  0.368  0.843  1.0
  I  I10  1  0.615  0.777  0.059  1.0
  I  I11  1  0.385  0.223  0.941  1.0
  I  I12  1  0.491  0.994  0.776  1.0
  I  I13  1  0.218  0.895  0.413  1.0
  I  I14  1  0.895  0.218  0.913  1.0
  I  I15  1  0.777  0.615  0.559  1.0
  I  I16  1  0.782  0.105  0.587  1.0
  I  I17  1  0.269  0.098  0.604  1.0
  I  I18  1  0.509  0.006  0.224  1.0
  I  I19  1  0.006  0.509  0.724  1.0
  I  I20  1  0.105  0.782  0.087  1.0
  I  I21  1  0.994  0.491  0.276  1.0
  I  I22  1  0.494  0.506  0.750  1.0
  I  I23  1  0.902  0.731  0.896  1.0
  I  I24  1  0.098  0.269  0.104  1.0
  I  I25  1  0.731  0.902  0.396  1.0
  I  I26  1  0.506  0.494  0.250  1.0
  I  I27  1  0.223  0.385  0.441  1.0
[/CIF]
.