data_BiI3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.75
_cell_length_b   5.75
_cell_length_c   5.75
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiI3
_chemical_formula_sum   'Bi1 I3'
_cell_volume   134.45
_cell_formula_units_Z   1
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  0.07  0.07  0.07  1.0
  I  I1  1  0.0  0.0  0.0  1.0
  I  I2  1  0.03  0.03  0.03  1.0
  I  I3  1  0.1  0.1  0.1  1.0

data_BiI3
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.75
_cell_length_b   5.75
_cell_length_c   14.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   BiI3
_chemical_formula_sum   'Bi3 I9'
_cell_volume   403.36
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.93  1.0
  I  I1  3  0.0  0.0  0.0  1.0
  I  I2  3  0.0  0.0  0.9  1.0
  I  I3  3  0.0  0.0  0.97  1.0

Bi I I I
BiI3 is Cyanogen Chloride-derived structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three BiI3 clusters. Bi(1) is bonded in a linear geometry to one I(2) and one I(3) atom. The Bi(1)-I(2) bond length is 0.47 Å. The Bi(1)-I(3) bond length is 0.47 Å. There are three inequivalent I sites. In the first I site, I(1) is bonded in a single-bond geometry to one I(2) atom. The I(1)-I(2) bond length is 0.47 Å. In the second I site, I(2) is bonded in a distorted linear geometry to one Bi(1) and one I(1) atom. In the third I site, I(3) is bonded in a single-bond geometry to one Bi(1) atom.