The material described by TiCl5PCl4 is Indium-derived structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two [pcl4]+1 molecules and one TiCl5 cluster. In the TiCl5 cluster, Ti(1) is bonded to one Cl(1), one Cl(3), one Cl(4), one Cl(5), and two equivalent Cl(6) atoms to form edge-sharing TiCl6 octahedra. There are five inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Ti(1) atom. In the second Cl site, Cl(3) is bonded in a single-bond geometry to one Ti(1) atom. In the third Cl site, Cl(4) is bonded in a single-bond geometry to one Ti(1) atom. In the fourth Cl site, Cl(5) is bonded in a single-bond geometry to one Ti(1) atom. In the fifth Cl site, Cl(6) is bonded in a water-like geometry to two equivalent Ti(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_TiPCl9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.010
_cell_length_b   9.012
_cell_length_c   9.530
_cell_angle_alpha   101.263
_cell_angle_beta   96.029
_cell_angle_gamma   95.794
_symmetry_Int_Tables_number   1
_cell_volume   582.654
_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
  Ti  Ti0  1  0.385  0.363  0.323  1.0
  Ti  Ti1  1  0.615  0.637  0.677  1.0
  P  P2  1  0.053  0.194  0.777  1.0
  P  P3  1  0.947  0.806  0.223  1.0
  Cl  Cl4  1  0.934  0.714  0.753  1.0
  Cl  Cl5  1  0.838  0.607  0.112  1.0
  Cl  Cl6  1  0.374  0.577  0.221  1.0
  Cl  Cl7  1  0.626  0.423  0.779  1.0
  Cl  Cl8  1  0.415  0.166  0.441  1.0
  Cl  Cl9  1  0.585  0.834  0.559  1.0
  Cl  Cl10  1  0.066  0.286  0.247  1.0
  Cl  Cl11  1  0.483  0.762  0.868  1.0
  Cl  Cl12  1  0.517  0.238  0.132  1.0
  Cl  Cl13  1  0.293  0.517  0.549  1.0
  Cl  Cl14  1  0.151  0.891  0.127  1.0
  Cl  Cl15  1  0.707  0.483  0.451  1.0
  Cl  Cl16  1  0.947  0.208  0.584  1.0
  Cl  Cl17  1  0.053  0.792  0.416  1.0
  Cl  Cl18  1  0.254  0.059  0.764  1.0
  Cl  Cl19  1  0.746  0.941  0.236  1.0
  Cl  Cl20  1  0.849  0.109  0.873  1.0
  Cl  Cl21  1  0.162  0.393  0.888  1.0
[/CIF]
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The material described by TiCl5PCl4 is Indium-derived structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two [pcl4]+1 molecules and one TiCl5 cluster. In the TiCl5 cluster, Ti(1) is bonded to one Cl(1), one Cl(3), one Cl(4), one Cl(5), and two equivalent Cl(6) atoms to form edge-sharing TiCl6 octahedra. There are five inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Ti(1) atom. In the second Cl site, Cl(3) is bonded in a single-bond geometry to one Ti(1) atom. In the third Cl site, Cl(4) is bonded in a single-bond geometry to one Ti(1) atom. In the fourth Cl site, Cl(5) is bonded in a single-bond geometry to one Ti(1) atom. In the fifth Cl site, Cl(6) is bonded in a water-like geometry to two equivalent Ti(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_TiPCl9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.010
_cell_length_b   9.012
_cell_length_c   9.530
_cell_angle_alpha   101.263
_cell_angle_beta   96.029
_cell_angle_gamma   95.794
_symmetry_Int_Tables_number   1
_cell_volume   582.654
_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
  Ti  Ti0  1  0.385  0.363  0.323  1.0
  Ti  Ti1  1  0.615  0.637  0.677  1.0
  P  P2  1  0.053  0.194  0.777  1.0
  P  P3  1  0.947  0.806  0.223  1.0
  Cl  Cl4  1  0.934  0.714  0.753  1.0
  Cl  Cl5  1  0.838  0.607  0.112  1.0
  Cl  Cl6  1  0.374  0.577  0.221  1.0
  Cl  Cl7  1  0.626  0.423  0.779  1.0
  Cl  Cl8  1  0.415  0.166  0.441  1.0
  Cl  Cl9  1  0.585  0.834  0.559  1.0
  Cl  Cl10  1  0.066  0.286  0.247  1.0
  Cl  Cl11  1  0.483  0.762  0.868  1.0
  Cl  Cl12  1  0.517  0.238  0.132  1.0
  Cl  Cl13  1  0.293  0.517  0.549  1.0
  Cl  Cl14  1  0.151  0.891  0.127  1.0
  Cl  Cl15  1  0.707  0.483  0.451  1.0
  Cl  Cl16  1  0.947  0.208  0.584  1.0
  Cl  Cl17  1  0.053  0.792  0.416  1.0
  Cl  Cl18  1  0.254  0.059  0.764  1.0
  Cl  Cl19  1  0.746  0.941  0.236  1.0
  Cl  Cl20  1  0.849  0.109  0.873  1.0
  Cl  Cl21  1  0.162  0.393  0.888  1.0
[/CIF]
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