The compound described by P4Se3I2 is Indium-like structured and crystallizes in the tetragonal I-42d space group. The structure is zero-dimensional and consists of eight 3,6-diiodo-2,5,7-triselena-1,3,4,6-tetraphosphabicyclo[2.2.1]heptane molecules. There are two inequivalent P sites. In the first P site, P(1) is bonded in a distorted trigonal non-coplanar geometry to one P(2), one Se(1), and one Se(2) atom. In the second P site, P(2) is bonded in a distorted trigonal non-coplanar geometry to one P(1), one Se(2), and one I(1) atom. There are two inequivalent Se sites. In the first Se site, Se(2) is bonded in a water-like geometry to one P(1) and one P(2) atom. In the second Se site, Se(1) is bonded in an L-shaped geometry to two equivalent P(1) atoms. I(1) is bonded in a single-bond geometry to one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_P4Se3I2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.741
_cell_length_b   11.740
_cell_length_c   11.740
_cell_angle_alpha   116.936
_cell_angle_beta   116.938
_cell_angle_gamma   95.396
_symmetry_Int_Tables_number   1
_cell_volume   1191.566
_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
  P  P0  1  0.768  0.911  0.129  1.0
  P  P1  1  0.991  0.966  0.233  1.0
  P  P2  1  0.733  0.758  0.767  1.0
  P  P3  1  0.508  0.983  0.267  1.0
  P  P4  1  0.242  0.009  0.975  1.0
  P  P5  1  0.034  0.267  0.025  1.0
  P  P6  1  0.017  0.284  0.525  1.0
  P  P7  1  0.759  0.492  0.475  1.0
  P  P8  1  0.716  0.241  0.733  1.0
  P  P9  1  0.782  0.639  0.870  1.0
  P  P10  1  0.661  0.018  0.629  1.0
  P  P11  1  0.089  0.218  0.857  1.0
  P  P12  1  0.389  0.032  0.371  1.0
  P  P13  1  0.361  0.232  0.143  1.0
  P  P14  1  0.982  0.611  0.643  1.0
  P  P15  1  0.968  0.339  0.357  1.0
  Se  Se16  1  0.431  0.931  0.500  1.0
  Se  Se17  1  0.742  0.954  0.950  1.0
  Se  Se18  1  0.319  0.319  0.000  1.0
  Se  Se19  1  0.704  0.992  0.450  1.0
  Se  Se20  1  0.046  0.996  0.787  1.0
  Se  Se21  1  0.209  0.258  0.212  1.0
  Se  Se22  1  0.008  0.459  0.712  1.0
  Se  Se23  1  0.746  0.296  0.287  1.0
  Se  Se24  1  0.541  0.254  0.550  1.0
  Se  Se25  1  0.681  0.681  1.000  1.0
  Se  Se26  1  0.069  0.569  0.500  1.0
  Se  Se27  1  0.004  0.791  0.050  1.0
  I  I28  1  0.659  0.299  0.927  1.0
  I  I29  1  0.701  0.628  0.360  1.0
  I  I30  1  0.268  0.341  0.640  1.0
  I  I31  1  0.091  0.518  0.140  1.0
  I  I32  1  0.378  0.951  0.860  1.0
  I  I33  1  0.372  0.732  0.073  1.0
  I  I34  1  0.482  0.622  0.573  1.0
  I  I35  1  0.049  0.909  0.427  1.0
[/CIF]
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The compound described by P4Se3I2 is Indium-like structured and crystallizes in the tetragonal I-42d space group. The structure is zero-dimensional and consists of eight 3,6-diiodo-2,5,7-triselena-1,3,4,6-tetraphosphabicyclo[2.2.1]heptane molecules. There are two inequivalent P sites. In the first P site, P(1) is bonded in a distorted trigonal non-coplanar geometry to one P(2), one Se(1), and one Se(2) atom. In the second P site, P(2) is bonded in a distorted trigonal non-coplanar geometry to one P(1), one Se(2), and one I(1) atom. There are two inequivalent Se sites. In the first Se site, Se(2) is bonded in a water-like geometry to one P(1) and one P(2) atom. In the second Se site, Se(1) is bonded in an L-shaped geometry to two equivalent P(1) atoms. I(1) is bonded in a single-bond geometry to one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_P4Se3I2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.741
_cell_length_b   11.740
_cell_length_c   11.740
_cell_angle_alpha   116.936
_cell_angle_beta   116.938
_cell_angle_gamma   95.396
_symmetry_Int_Tables_number   1
_cell_volume   1191.566
_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
  P  P0  1  0.768  0.911  0.129  1.0
  P  P1  1  0.991  0.966  0.233  1.0
  P  P2  1  0.733  0.758  0.767  1.0
  P  P3  1  0.508  0.983  0.267  1.0
  P  P4  1  0.242  0.009  0.975  1.0
  P  P5  1  0.034  0.267  0.025  1.0
  P  P6  1  0.017  0.284  0.525  1.0
  P  P7  1  0.759  0.492  0.475  1.0
  P  P8  1  0.716  0.241  0.733  1.0
  P  P9  1  0.782  0.639  0.870  1.0
  P  P10  1  0.661  0.018  0.629  1.0
  P  P11  1  0.089  0.218  0.857  1.0
  P  P12  1  0.389  0.032  0.371  1.0
  P  P13  1  0.361  0.232  0.143  1.0
  P  P14  1  0.982  0.611  0.643  1.0
  P  P15  1  0.968  0.339  0.357  1.0
  Se  Se16  1  0.431  0.931  0.500  1.0
  Se  Se17  1  0.742  0.954  0.950  1.0
  Se  Se18  1  0.319  0.319  0.000  1.0
  Se  Se19  1  0.704  0.992  0.450  1.0
  Se  Se20  1  0.046  0.996  0.787  1.0
  Se  Se21  1  0.209  0.258  0.212  1.0
  Se  Se22  1  0.008  0.459  0.712  1.0
  Se  Se23  1  0.746  0.296  0.287  1.0
  Se  Se24  1  0.541  0.254  0.550  1.0
  Se  Se25  1  0.681  0.681  1.000  1.0
  Se  Se26  1  0.069  0.569  0.500  1.0
  Se  Se27  1  0.004  0.791  0.050  1.0
  I  I28  1  0.659  0.299  0.927  1.0
  I  I29  1  0.701  0.628  0.360  1.0
  I  I30  1  0.268  0.341  0.640  1.0
  I  I31  1  0.091  0.518  0.140  1.0
  I  I32  1  0.378  0.951  0.860  1.0
  I  I33  1  0.372  0.732  0.073  1.0
  I  I34  1  0.482  0.622  0.573  1.0
  I  I35  1  0.049  0.909  0.427  1.0
[/CIF]
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