The structure described by K3Bi2I9 crystallizes in the monoclinic C2/c space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 4-coordinate geometry to two equivalent I(2) and two equivalent I(4) atoms. In the second K site, K(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 L-shaped geometry to two equivalent Bi(1) atoms. In the second I site, I(1) is bonded in a distorted T-shaped geometry to two equivalent K(2) and one Bi(1) atom. In the third I site, I(2) is bonded in a rectangular see-saw-like geometry to one K(1), one K(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 two equivalent K(2) and one Bi(1) atom. In the fifth I site, I(4) is bonded in a distorted trigonal non-coplanar geometry to one K(1), one K(2), and one Bi(1) atom. is represented by the CIF card [CIF]
data_K3Bi2I9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.538
_cell_length_b   8.538
_cell_length_c   21.343
_cell_angle_alpha   86.992
_cell_angle_beta   86.992
_cell_angle_gamma   122.274
_symmetry_Int_Tables_number   1
_cell_volume   1307.498
_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
  K  K0  1  0.950  0.050  0.250  1.0
  K  K1  1  0.704  0.251  0.566  1.0
  K  K2  1  0.050  0.950  0.750  1.0
  K  K3  1  0.251  0.704  0.066  1.0
  K  K4  1  0.296  0.749  0.434  1.0
  K  K5  1  0.749  0.296  0.934  1.0
  Bi  Bi6  1  0.614  0.288  0.156  1.0
  Bi  Bi7  1  0.386  0.712  0.844  1.0
  Bi  Bi8  1  0.288  0.614  0.656  1.0
  Bi  Bi9  1  0.712  0.386  0.344  1.0
  I  I10  1  0.587  0.769  0.551  1.0
  I  I11  1  0.413  0.231  0.449  1.0
  I  I12  1  0.501  0.995  0.282  1.0
  I  I13  1  0.277  0.943  0.915  1.0
  I  I14  1  0.943  0.277  0.415  1.0
  I  I15  1  0.769  0.587  0.051  1.0
  I  I16  1  0.723  0.057  0.085  1.0
  I  I17  1  0.231  0.088  0.114  1.0
  I  I18  1  0.499  0.005  0.718  1.0
  I  I19  1  0.005  0.499  0.218  1.0
  I  I20  1  0.057  0.723  0.585  1.0
  I  I21  1  0.995  0.501  0.782  1.0
  I  I22  1  0.502  0.498  0.250  1.0
  I  I23  1  0.912  0.769  0.386  1.0
  I  I24  1  0.088  0.231  0.614  1.0
  I  I25  1  0.769  0.912  0.886  1.0
  I  I26  1  0.498  0.502  0.750  1.0
  I  I27  1  0.231  0.413  0.949  1.0
[/CIF]
.
The structure described by K3Bi2I9 crystallizes in the monoclinic C2/c space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 4-coordinate geometry to two equivalent I(2) and two equivalent I(4) atoms. In the second K site, K(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 L-shaped geometry to two equivalent Bi(1) atoms. In the second I site, I(1) is bonded in a distorted T-shaped geometry to two equivalent K(2) and one Bi(1) atom. In the third I site, I(2) is bonded in a rectangular see-saw-like geometry to one K(1), one K(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 two equivalent K(2) and one Bi(1) atom. In the fifth I site, I(4) is bonded in a distorted trigonal non-coplanar geometry to one K(1), one K(2), and one Bi(1) atom. is represented by the CIF card [CIF]
data_K3Bi2I9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.538
_cell_length_b   8.538
_cell_length_c   21.343
_cell_angle_alpha   86.992
_cell_angle_beta   86.992
_cell_angle_gamma   122.274
_symmetry_Int_Tables_number   1
_cell_volume   1307.498
_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
  K  K0  1  0.950  0.050  0.250  1.0
  K  K1  1  0.704  0.251  0.566  1.0
  K  K2  1  0.050  0.950  0.750  1.0
  K  K3  1  0.251  0.704  0.066  1.0
  K  K4  1  0.296  0.749  0.434  1.0
  K  K5  1  0.749  0.296  0.934  1.0
  Bi  Bi6  1  0.614  0.288  0.156  1.0
  Bi  Bi7  1  0.386  0.712  0.844  1.0
  Bi  Bi8  1  0.288  0.614  0.656  1.0
  Bi  Bi9  1  0.712  0.386  0.344  1.0
  I  I10  1  0.587  0.769  0.551  1.0
  I  I11  1  0.413  0.231  0.449  1.0
  I  I12  1  0.501  0.995  0.282  1.0
  I  I13  1  0.277  0.943  0.915  1.0
  I  I14  1  0.943  0.277  0.415  1.0
  I  I15  1  0.769  0.587  0.051  1.0
  I  I16  1  0.723  0.057  0.085  1.0
  I  I17  1  0.231  0.088  0.114  1.0
  I  I18  1  0.499  0.005  0.718  1.0
  I  I19  1  0.005  0.499  0.218  1.0
  I  I20  1  0.057  0.723  0.585  1.0
  I  I21  1  0.995  0.501  0.782  1.0
  I  I22  1  0.502  0.498  0.250  1.0
  I  I23  1  0.912  0.769  0.386  1.0
  I  I24  1  0.088  0.231  0.614  1.0
  I  I25  1  0.769  0.912  0.886  1.0
  I  I26  1  0.498  0.502  0.750  1.0
  I  I27  1  0.231  0.413  0.949  1.0
[/CIF]
.