The material described by TaCl6PCl4 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 two TaCl6 clusters. In one of the TaCl6 clusters, Ta(1) is bonded in an octahedral geometry to two equivalent Cl(2,5); two equivalent Cl(4); and two equivalent Cl(6) atoms. There are three inequivalent Cl sites. In the first Cl site, Cl(4) is bonded in a single-bond geometry to one Ta(1) atom. In the second Cl site, Cl(2,5) is bonded in a single-bond geometry to one Ta(2) atom. In the third Cl site, Cl(6) is bonded in a single-bond geometry to one Ta(1) atom. In one of the TaCl6 clusters, Ta(2) is bonded in an octahedral geometry to two equivalent Cl(1); two equivalent Cl(2,5); and two equivalent Cl(3) atoms. There are three inequivalent Cl sites. In the first Cl site, Cl(3) is bonded in a single-bond geometry to one Ta(2) atom. In the second Cl site, Cl(1) is bonded in a single-bond geometry to one Ta(2) atom. In the third Cl site, Cl(2,5) is bonded in a single-bond geometry to one Ta(2) atom. is represented by the CIF card [CIF]
data_TaPCl10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.010
_cell_length_b   7.346
_cell_length_c   13.606
_cell_angle_alpha   90.411
_cell_angle_beta   91.827
_cell_angle_gamma   106.293
_symmetry_Int_Tables_number   1
_cell_volume   672.080
_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
  Ta  Ta0  1  0.000  0.000  0.500  1.0
  Ta  Ta1  1  0.000  0.000  0.000  1.0
  P  P2  1  0.377  0.593  0.761  1.0
  P  P3  1  0.623  0.407  0.239  1.0
  Cl  Cl4  1  0.306  0.080  0.921  1.0
  Cl  Cl5  1  0.694  0.920  0.079  1.0
  Cl  Cl6  1  0.117  0.273  0.103  1.0
  Cl  Cl7  1  0.883  0.727  0.897  1.0
  Cl  Cl8  1  0.128  0.819  0.114  1.0
  Cl  Cl9  1  0.872  0.181  0.886  1.0
  Cl  Cl10  1  0.235  0.297  0.478  1.0
  Cl  Cl11  1  0.765  0.703  0.522  1.0
  Cl  Cl12  1  0.238  0.841  0.457  1.0
  Cl  Cl13  1  0.762  0.159  0.543  1.0
  Cl  Cl14  1  0.103  0.006  0.666  1.0
  Cl  Cl15  1  0.897  0.994  0.334  1.0
  Cl  Cl16  1  0.662  0.410  0.098  1.0
  Cl  Cl17  1  0.338  0.590  0.902  1.0
  Cl  Cl18  1  0.879  0.477  0.309  1.0
  Cl  Cl19  1  0.121  0.523  0.691  1.0
  Cl  Cl20  1  0.472  0.157  0.278  1.0
  Cl  Cl21  1  0.528  0.843  0.722  1.0
  Cl  Cl22  1  0.478  0.588  0.273  1.0
  Cl  Cl23  1  0.522  0.412  0.727  1.0
[/CIF]
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The material described by TaCl6PCl4 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 two TaCl6 clusters. In one of the TaCl6 clusters, Ta(1) is bonded in an octahedral geometry to two equivalent Cl(2,5); two equivalent Cl(4); and two equivalent Cl(6) atoms. There are three inequivalent Cl sites. In the first Cl site, Cl(4) is bonded in a single-bond geometry to one Ta(1) atom. In the second Cl site, Cl(2,5) is bonded in a single-bond geometry to one Ta(2) atom. In the third Cl site, Cl(6) is bonded in a single-bond geometry to one Ta(1) atom. In one of the TaCl6 clusters, Ta(2) is bonded in an octahedral geometry to two equivalent Cl(1); two equivalent Cl(2,5); and two equivalent Cl(3) atoms. There are three inequivalent Cl sites. In the first Cl site, Cl(3) is bonded in a single-bond geometry to one Ta(2) atom. In the second Cl site, Cl(1) is bonded in a single-bond geometry to one Ta(2) atom. In the third Cl site, Cl(2,5) is bonded in a single-bond geometry to one Ta(2) atom. is represented by the CIF card [CIF]
data_TaPCl10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.010
_cell_length_b   7.346
_cell_length_c   13.606
_cell_angle_alpha   90.411
_cell_angle_beta   91.827
_cell_angle_gamma   106.293
_symmetry_Int_Tables_number   1
_cell_volume   672.080
_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
  Ta  Ta0  1  0.000  0.000  0.500  1.0
  Ta  Ta1  1  0.000  0.000  0.000  1.0
  P  P2  1  0.377  0.593  0.761  1.0
  P  P3  1  0.623  0.407  0.239  1.0
  Cl  Cl4  1  0.306  0.080  0.921  1.0
  Cl  Cl5  1  0.694  0.920  0.079  1.0
  Cl  Cl6  1  0.117  0.273  0.103  1.0
  Cl  Cl7  1  0.883  0.727  0.897  1.0
  Cl  Cl8  1  0.128  0.819  0.114  1.0
  Cl  Cl9  1  0.872  0.181  0.886  1.0
  Cl  Cl10  1  0.235  0.297  0.478  1.0
  Cl  Cl11  1  0.765  0.703  0.522  1.0
  Cl  Cl12  1  0.238  0.841  0.457  1.0
  Cl  Cl13  1  0.762  0.159  0.543  1.0
  Cl  Cl14  1  0.103  0.006  0.666  1.0
  Cl  Cl15  1  0.897  0.994  0.334  1.0
  Cl  Cl16  1  0.662  0.410  0.098  1.0
  Cl  Cl17  1  0.338  0.590  0.902  1.0
  Cl  Cl18  1  0.879  0.477  0.309  1.0
  Cl  Cl19  1  0.121  0.523  0.691  1.0
  Cl  Cl20  1  0.472  0.157  0.278  1.0
  Cl  Cl21  1  0.528  0.843  0.722  1.0
  Cl  Cl22  1  0.478  0.588  0.273  1.0
  Cl  Cl23  1  0.522  0.412  0.727  1.0
[/CIF]
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