The crystal structure described by PCl4SeCl5 is Indium-derived structured and crystallizes in the orthorhombic Ima2 space group. The structure is zero-dimensional and consists of eight [pcl4]+1 molecules and four SeCl5 clusters. In each SeCl5 cluster, there are two inequivalent Se sites. In the first Se site, Se(1) is bonded to one Cl(1), one Cl(12), one Cl(2), one Cl(6), and two equivalent Cl(4) atoms to form distorted corner-sharing SeCl6 octahedra. In the second Se site, Se(2) is bonded to one Cl(1), one Cl(5), one Cl(9), and two equivalent Cl(11) atoms to form distorted corner-sharing SeCl5 square pyramids. The corner-sharing octahedral tilt angles are 36°. There are eight inequivalent Cl sites. In the first Cl site, Cl(11) is bonded in a single-bond geometry to one Se(2) atom. In the second Cl site, Cl(12) is bonded in a single-bond geometry to one Se(1) atom. In the third Cl site, Cl(1) is bonded in a bent 150 degrees geometry to one Se(1) and one Se(2) atom. In the fourth Cl site, Cl(2) is bonded in a single-bond geometry to one Se(1) atom. In the fifth Cl site, Cl(4) is bonded in a single-bond geometry to one Se(1) atom. In the sixth Cl site, Cl(5) is bonded in a single-bond geometry to one Se(2) atom. In the seventh Cl site, Cl(6) is bonded in a distorted single-bond geometry to one Se(1) atom. In the eighth Cl site, Cl(9) is bonded in a single-bond geometry to one Se(2) atom. is represented by the CIF card [CIF]
data_PSeCl9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.955
_cell_length_b   11.956
_cell_length_c   11.955
_cell_angle_alpha   120.347
_cell_angle_beta   119.163
_cell_angle_gamma   90.429
_symmetry_Int_Tables_number   1
_cell_volume   1212.585
_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  0.788  0.523  0.284  1.0
  P  P1  1  0.212  0.496  0.736  1.0
  P  P2  1  0.260  0.996  0.284  1.0
  P  P3  1  0.740  0.023  0.736  1.0
  Se  Se4  1  0.777  0.548  0.825  1.0
  Se  Se5  1  0.223  0.048  0.772  1.0
  Se  Se6  1  0.647  0.976  0.122  1.0
  Se  Se7  1  0.353  0.476  0.329  1.0
  Cl  Cl8  1  0.434  0.940  0.874  1.0
  Cl  Cl9  1  0.857  0.370  0.727  1.0
  Cl  Cl10  1  0.773  0.684  0.280  1.0
  Cl  Cl11  1  0.640  0.403  0.827  1.0
  Cl  Cl12  1  0.164  0.487  0.150  1.0
  Cl  Cl13  1  0.327  0.228  0.056  1.0
  Cl  Cl14  1  0.704  0.981  0.538  1.0
  Cl  Cl15  1  0.622  0.369  0.103  1.0
  Cl  Cl16  1  0.623  0.157  0.280  1.0
  Cl  Cl17  1  0.766  0.869  0.748  1.0
  Cl  Cl18  1  0.360  0.188  0.763  1.0
  Cl  Cl19  1  0.377  0.657  0.534  1.0
  Cl  Cl20  1  0.836  0.987  0.323  1.0
  Cl  Cl21  1  0.585  0.062  0.744  1.0
  Cl  Cl22  1  0.378  0.481  0.748  1.0
  Cl  Cl23  1  0.075  0.902  0.763  1.0
  Cl  Cl24  1  0.205  0.330  0.320  1.0
  Cl  Cl25  1  0.903  0.184  0.911  1.0
  Cl  Cl26  1  0.064  0.140  0.704  1.0
  Cl  Cl27  1  0.227  0.507  0.911  1.0
  Cl  Cl28  1  0.673  0.728  0.901  1.0
  Cl  Cl29  1  0.943  0.481  0.277  1.0
  Cl  Cl30  1  0.296  0.834  0.277  1.0
  Cl  Cl31  1  0.057  0.334  0.538  1.0
  Cl  Cl32  1  0.936  0.640  0.076  1.0
  Cl  Cl33  1  0.510  0.830  0.125  1.0
  Cl  Cl34  1  0.182  0.659  0.744  1.0
  Cl  Cl35  1  0.143  0.870  0.512  1.0
  Cl  Cl36  1  0.795  0.115  0.125  1.0
  Cl  Cl37  1  0.925  0.688  0.827  1.0
  Cl  Cl38  1  0.818  0.562  0.477  1.0
  Cl  Cl39  1  0.097  0.007  0.280  1.0
  Cl  Cl40  1  0.415  0.159  0.477  1.0
  Cl  Cl41  1  0.490  0.615  0.320  1.0
  Cl  Cl42  1  0.566  0.440  0.506  1.0
  Cl  Cl43  1  0.234  0.981  0.103  1.0
[/CIF]
.
The crystal structure described by PCl4SeCl5 is Indium-derived structured and crystallizes in the orthorhombic Ima2 space group. The structure is zero-dimensional and consists of eight [pcl4]+1 molecules and four SeCl5 clusters. In each SeCl5 cluster, there are two inequivalent Se sites. In the first Se site, Se(1) is bonded to one Cl(1), one Cl(12), one Cl(2), one Cl(6), and two equivalent Cl(4) atoms to form distorted corner-sharing SeCl6 octahedra. In the second Se site, Se(2) is bonded to one Cl(1), one Cl(5), one Cl(9), and two equivalent Cl(11) atoms to form distorted corner-sharing SeCl5 square pyramids. The corner-sharing octahedral tilt angles are 36°. There are eight inequivalent Cl sites. In the first Cl site, Cl(11) is bonded in a single-bond geometry to one Se(2) atom. In the second Cl site, Cl(12) is bonded in a single-bond geometry to one Se(1) atom. In the third Cl site, Cl(1) is bonded in a bent 150 degrees geometry to one Se(1) and one Se(2) atom. In the fourth Cl site, Cl(2) is bonded in a single-bond geometry to one Se(1) atom. In the fifth Cl site, Cl(4) is bonded in a single-bond geometry to one Se(1) atom. In the sixth Cl site, Cl(5) is bonded in a single-bond geometry to one Se(2) atom. In the seventh Cl site, Cl(6) is bonded in a distorted single-bond geometry to one Se(1) atom. In the eighth Cl site, Cl(9) is bonded in a single-bond geometry to one Se(2) atom. is represented by the CIF card [CIF]
data_PSeCl9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.955
_cell_length_b   11.956
_cell_length_c   11.955
_cell_angle_alpha   120.347
_cell_angle_beta   119.163
_cell_angle_gamma   90.429
_symmetry_Int_Tables_number   1
_cell_volume   1212.585
_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  0.788  0.523  0.284  1.0
  P  P1  1  0.212  0.496  0.736  1.0
  P  P2  1  0.260  0.996  0.284  1.0
  P  P3  1  0.740  0.023  0.736  1.0
  Se  Se4  1  0.777  0.548  0.825  1.0
  Se  Se5  1  0.223  0.048  0.772  1.0
  Se  Se6  1  0.647  0.976  0.122  1.0
  Se  Se7  1  0.353  0.476  0.329  1.0
  Cl  Cl8  1  0.434  0.940  0.874  1.0
  Cl  Cl9  1  0.857  0.370  0.727  1.0
  Cl  Cl10  1  0.773  0.684  0.280  1.0
  Cl  Cl11  1  0.640  0.403  0.827  1.0
  Cl  Cl12  1  0.164  0.487  0.150  1.0
  Cl  Cl13  1  0.327  0.228  0.056  1.0
  Cl  Cl14  1  0.704  0.981  0.538  1.0
  Cl  Cl15  1  0.622  0.369  0.103  1.0
  Cl  Cl16  1  0.623  0.157  0.280  1.0
  Cl  Cl17  1  0.766  0.869  0.748  1.0
  Cl  Cl18  1  0.360  0.188  0.763  1.0
  Cl  Cl19  1  0.377  0.657  0.534  1.0
  Cl  Cl20  1  0.836  0.987  0.323  1.0
  Cl  Cl21  1  0.585  0.062  0.744  1.0
  Cl  Cl22  1  0.378  0.481  0.748  1.0
  Cl  Cl23  1  0.075  0.902  0.763  1.0
  Cl  Cl24  1  0.205  0.330  0.320  1.0
  Cl  Cl25  1  0.903  0.184  0.911  1.0
  Cl  Cl26  1  0.064  0.140  0.704  1.0
  Cl  Cl27  1  0.227  0.507  0.911  1.0
  Cl  Cl28  1  0.673  0.728  0.901  1.0
  Cl  Cl29  1  0.943  0.481  0.277  1.0
  Cl  Cl30  1  0.296  0.834  0.277  1.0
  Cl  Cl31  1  0.057  0.334  0.538  1.0
  Cl  Cl32  1  0.936  0.640  0.076  1.0
  Cl  Cl33  1  0.510  0.830  0.125  1.0
  Cl  Cl34  1  0.182  0.659  0.744  1.0
  Cl  Cl35  1  0.143  0.870  0.512  1.0
  Cl  Cl36  1  0.795  0.115  0.125  1.0
  Cl  Cl37  1  0.925  0.688  0.827  1.0
  Cl  Cl38  1  0.818  0.562  0.477  1.0
  Cl  Cl39  1  0.097  0.007  0.280  1.0
  Cl  Cl40  1  0.415  0.159  0.477  1.0
  Cl  Cl41  1  0.490  0.615  0.320  1.0
  Cl  Cl42  1  0.566  0.440  0.506  1.0
  Cl  Cl43  1  0.234  0.981  0.103  1.0
[/CIF]
.