The material described by PI3 is Upper Bainite structured and crystallizes in the hexagonal P6_3 space group. The structure is zero-dimensional and consists of two phosphorus triiodide molecules. P(1) is bonded in a trigonal non-coplanar geometry to three equivalent I(1) atoms. I(1) is bonded in a single-bond geometry to one P(1) atom. is represented by the CIF card [CIF]
data_PI3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.275
_cell_length_b   7.275
_cell_length_c   7.639
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   350.104
_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
  P  P0  1  0.667  0.333  0.638  1.0
  P  P1  1  0.333  0.667  0.138  1.0
  I  I2  1  0.346  0.307  0.503  1.0
  I  I3  1  0.654  0.693  0.003  1.0
  I  I4  1  0.307  0.961  0.003  1.0
  I  I5  1  0.961  0.654  0.503  1.0
  I  I6  1  0.693  0.039  0.503  1.0
  I  I7  1  0.039  0.346  0.003  1.0
[/CIF]
.
The material described by PI3 is Upper Bainite structured and crystallizes in the hexagonal P6_3 space group. The structure is zero-dimensional and consists of two phosphorus triiodide molecules. P(1) is bonded in a trigonal non-coplanar geometry to three equivalent I(1) atoms. I(1) is bonded in a single-bond geometry to one P(1) atom. is represented by the CIF card [CIF]
data_PI3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.275
_cell_length_b   7.275
_cell_length_c   7.639
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   350.104
_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
  P  P0  1  0.667  0.333  0.638  1.0
  P  P1  1  0.333  0.667  0.138  1.0
  I  I2  1  0.346  0.307  0.503  1.0
  I  I3  1  0.654  0.693  0.003  1.0
  I  I4  1  0.307  0.961  0.003  1.0
  I  I5  1  0.961  0.654  0.503  1.0
  I  I6  1  0.693  0.039  0.503  1.0
  I  I7  1  0.039  0.346  0.003  1.0
[/CIF]
.