The material structure described by Pt3I8 crystallizes in the tetragonal P4_12_12 space group. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded to one I(2), one I(4), two equivalent I(1), and two equivalent I(3) atoms to form a mixture of distorted corner and edge-sharing PtI6 octahedra. The corner-sharing octahedral tilt angles range from 2-15°. In the second Pt site, Pt(2) is bonded to two equivalent I(1), two equivalent I(2), and two equivalent I(4) atoms to form a mixture of corner and edge-sharing PtI6 octahedra. The corner-sharing octahedral tilt angles range from 2-15°. There are four inequivalent I sites. In the first I site, I(4) is bonded in an L-shaped geometry to one Pt(1) and one Pt(2) atom. In the second I site, I(1) is bonded in a T-shaped geometry to one Pt(2) and two equivalent Pt(1) atoms. In the third I site, I(2) is bonded in a distorted single-bond geometry to one Pt(1) and one Pt(2) atom. In the fourth I site, I(3) is bonded in a water-like geometry to two equivalent Pt(1) atoms. is represented by the CIF card [CIF]
data_Pt3I8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.913
_cell_length_b   12.056
_cell_length_c   12.056
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1586.298
_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
  Pt  Pt0  1  0.516  0.131  0.617  1.0
  Pt  Pt1  1  0.016  0.869  0.383  1.0
  Pt  Pt2  1  0.266  0.117  0.369  1.0
  Pt  Pt3  1  0.766  0.883  0.631  1.0
  Pt  Pt4  1  0.484  0.617  0.131  1.0
  Pt  Pt5  1  0.734  0.369  0.117  1.0
  Pt  Pt6  1  0.234  0.631  0.883  1.0
  Pt  Pt7  1  0.984  0.383  0.869  1.0
  Pt  Pt8  1  0.500  0.124  0.124  1.0
  Pt  Pt9  1  0.750  0.376  0.624  1.0
  Pt  Pt10  1  0.250  0.624  0.376  1.0
  Pt  Pt11  1  0.000  0.876  0.876  1.0
  I  I12  1  0.503  0.127  0.349  1.0
  I  I13  1  0.003  0.873  0.651  1.0
  I  I14  1  0.253  0.849  0.373  1.0
  I  I15  1  0.753  0.151  0.627  1.0
  I  I16  1  0.497  0.349  0.127  1.0
  I  I17  1  0.747  0.373  0.849  1.0
  I  I18  1  0.247  0.627  0.151  1.0
  I  I19  1  0.997  0.651  0.873  1.0
  I  I20  1  0.472  0.124  0.900  1.0
  I  I21  1  0.972  0.876  0.100  1.0
  I  I22  1  0.222  0.400  0.376  1.0
  I  I23  1  0.722  0.600  0.624  1.0
  I  I24  1  0.973  0.378  0.088  1.0
  I  I25  1  0.223  0.412  0.878  1.0
  I  I26  1  0.723  0.588  0.122  1.0
  I  I27  1  0.473  0.622  0.912  1.0
  I  I28  1  0.777  0.878  0.412  1.0
  I  I29  1  0.277  0.122  0.588  1.0
  I  I30  1  0.027  0.088  0.378  1.0
  I  I31  1  0.527  0.912  0.622  1.0
  I  I32  1  0.992  0.389  0.651  1.0
  I  I33  1  0.242  0.849  0.889  1.0
  I  I34  1  0.742  0.151  0.111  1.0
  I  I35  1  0.492  0.611  0.349  1.0
  I  I36  1  0.758  0.889  0.849  1.0
  I  I37  1  0.258  0.111  0.151  1.0
  I  I38  1  0.008  0.651  0.389  1.0
  I  I39  1  0.508  0.349  0.611  1.0
  I  I40  1  0.028  0.100  0.876  1.0
  I  I41  1  0.278  0.624  0.600  1.0
  I  I42  1  0.778  0.376  0.400  1.0
  I  I43  1  0.528  0.900  0.124  1.0
[/CIF]
.
The material structure described by Pt3I8 crystallizes in the tetragonal P4_12_12 space group. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded to one I(2), one I(4), two equivalent I(1), and two equivalent I(3) atoms to form a mixture of distorted corner and edge-sharing PtI6 octahedra. The corner-sharing octahedral tilt angles range from 2-15°. In the second Pt site, Pt(2) is bonded to two equivalent I(1), two equivalent I(2), and two equivalent I(4) atoms to form a mixture of corner and edge-sharing PtI6 octahedra. The corner-sharing octahedral tilt angles range from 2-15°. There are four inequivalent I sites. In the first I site, I(4) is bonded in an L-shaped geometry to one Pt(1) and one Pt(2) atom. In the second I site, I(1) is bonded in a T-shaped geometry to one Pt(2) and two equivalent Pt(1) atoms. In the third I site, I(2) is bonded in a distorted single-bond geometry to one Pt(1) and one Pt(2) atom. In the fourth I site, I(3) is bonded in a water-like geometry to two equivalent Pt(1) atoms. is represented by the CIF card [CIF]
data_Pt3I8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.913
_cell_length_b   12.056
_cell_length_c   12.056
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1586.298
_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
  Pt  Pt0  1  0.516  0.131  0.617  1.0
  Pt  Pt1  1  0.016  0.869  0.383  1.0
  Pt  Pt2  1  0.266  0.117  0.369  1.0
  Pt  Pt3  1  0.766  0.883  0.631  1.0
  Pt  Pt4  1  0.484  0.617  0.131  1.0
  Pt  Pt5  1  0.734  0.369  0.117  1.0
  Pt  Pt6  1  0.234  0.631  0.883  1.0
  Pt  Pt7  1  0.984  0.383  0.869  1.0
  Pt  Pt8  1  0.500  0.124  0.124  1.0
  Pt  Pt9  1  0.750  0.376  0.624  1.0
  Pt  Pt10  1  0.250  0.624  0.376  1.0
  Pt  Pt11  1  0.000  0.876  0.876  1.0
  I  I12  1  0.503  0.127  0.349  1.0
  I  I13  1  0.003  0.873  0.651  1.0
  I  I14  1  0.253  0.849  0.373  1.0
  I  I15  1  0.753  0.151  0.627  1.0
  I  I16  1  0.497  0.349  0.127  1.0
  I  I17  1  0.747  0.373  0.849  1.0
  I  I18  1  0.247  0.627  0.151  1.0
  I  I19  1  0.997  0.651  0.873  1.0
  I  I20  1  0.472  0.124  0.900  1.0
  I  I21  1  0.972  0.876  0.100  1.0
  I  I22  1  0.222  0.400  0.376  1.0
  I  I23  1  0.722  0.600  0.624  1.0
  I  I24  1  0.973  0.378  0.088  1.0
  I  I25  1  0.223  0.412  0.878  1.0
  I  I26  1  0.723  0.588  0.122  1.0
  I  I27  1  0.473  0.622  0.912  1.0
  I  I28  1  0.777  0.878  0.412  1.0
  I  I29  1  0.277  0.122  0.588  1.0
  I  I30  1  0.027  0.088  0.378  1.0
  I  I31  1  0.527  0.912  0.622  1.0
  I  I32  1  0.992  0.389  0.651  1.0
  I  I33  1  0.242  0.849  0.889  1.0
  I  I34  1  0.742  0.151  0.111  1.0
  I  I35  1  0.492  0.611  0.349  1.0
  I  I36  1  0.758  0.889  0.849  1.0
  I  I37  1  0.258  0.111  0.151  1.0
  I  I38  1  0.008  0.651  0.389  1.0
  I  I39  1  0.508  0.349  0.611  1.0
  I  I40  1  0.028  0.100  0.876  1.0
  I  I41  1  0.278  0.624  0.600  1.0
  I  I42  1  0.778  0.376  0.400  1.0
  I  I43  1  0.528  0.900  0.124  1.0
[/CIF]
.