The compound described by TaP4(SCl)5 is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two TaP4(SCl)5 clusters. Ta(1) is bonded in a distorted octahedral geometry to one S(3), one Cl(1), one Cl(2), one Cl(3), one Cl(4), and one Cl(5) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded in a distorted trigonal non-coplanar geometry to one S(3), one S(4), and one S(5) atom. In the second P site, P(2) is bonded in a trigonal non-coplanar geometry to one S(1), one S(2), and one S(5) atom. In the third P site, P(3) is bonded in a distorted single-bond geometry to one P(4) and one S(2) atom. In the fourth P site, P(4) is bonded in a distorted water-like geometry to one P(3), one S(1), and one S(4) atom. There are five inequivalent S sites. In the first S site, S(1) is bonded in a water-like geometry to one P(2) and one P(4) atom. In the second S site, S(2) is bonded in a water-like geometry to one P(2) and one P(3) atom. In the third S site, S(3) is bonded in a bent 120 degrees geometry to one Ta(1) and one P(1) atom. In the fourth S site, S(4) is bonded in an L-shaped geometry to one P(1) and one P(4) atom. In the fifth S site, S(5) is bonded in a water-like geometry to one P(1) and one P(2) atom. There are five inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Ta(1) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one Ta(1) atom. In the third Cl site, Cl(3) is bonded in a single-bond geometry to one Ta(1) atom. In the fourth Cl site, Cl(4) is bonded in a single-bond geometry to one Ta(1) atom. In the fifth Cl site, Cl(5) is bonded in a single-bond geometry to one Ta(1) atom. is represented by the CIF card [CIF]
data_TaP4(SCl)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.931
_cell_length_b   10.617
_cell_length_c   13.660
_cell_angle_alpha   98.042
_cell_angle_beta   104.513
_cell_angle_gamma   106.944
_symmetry_Int_Tables_number   1
_cell_volume   905.901
_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  0.393  0.266  0.156  1.0
  Ta  Ta1  1  0.607  0.734  0.844  1.0
  P  P2  1  0.083  0.424  0.690  1.0
  P  P3  1  0.965  0.878  0.258  1.0
  P  P4  1  0.917  0.576  0.310  1.0
  P  P5  1  0.772  0.690  0.406  1.0
  P  P6  1  0.035  0.122  0.742  1.0
  P  P7  1  0.122  0.808  0.497  1.0
  P  P8  1  0.228  0.310  0.594  1.0
  P  P9  1  0.878  0.192  0.503  1.0
  S  S10  1  0.796  0.050  0.594  1.0
  S  S11  1  0.307  0.184  0.687  1.0
  S  S12  1  0.180  0.624  0.747  1.0
  S  S13  1  0.204  0.950  0.406  1.0
  S  S14  1  0.809  0.370  0.562  1.0
  S  S15  1  0.027  0.316  0.804  1.0
  S  S16  1  0.820  0.376  0.253  1.0
  S  S17  1  0.191  0.630  0.438  1.0
  S  S18  1  0.973  0.684  0.196  1.0
  S  S19  1  0.693  0.816  0.313  1.0
  Cl  Cl20  1  0.518  0.759  0.998  1.0
  Cl  Cl21  1  0.482  0.241  0.002  1.0
  Cl  Cl22  1  0.396  0.484  0.148  1.0
  Cl  Cl23  1  0.604  0.516  0.852  1.0
  Cl  Cl24  1  0.480  0.074  0.187  1.0
  Cl  Cl25  1  0.640  0.697  0.675  1.0
  Cl  Cl26  1  0.520  0.926  0.813  1.0
  Cl  Cl27  1  0.963  0.839  0.922  1.0
  Cl  Cl28  1  0.037  0.161  0.078  1.0
  Cl  Cl29  1  0.360  0.303  0.325  1.0
[/CIF]
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The compound described by TaP4(SCl)5 is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two TaP4(SCl)5 clusters. Ta(1) is bonded in a distorted octahedral geometry to one S(3), one Cl(1), one Cl(2), one Cl(3), one Cl(4), and one Cl(5) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded in a distorted trigonal non-coplanar geometry to one S(3), one S(4), and one S(5) atom. In the second P site, P(2) is bonded in a trigonal non-coplanar geometry to one S(1), one S(2), and one S(5) atom. In the third P site, P(3) is bonded in a distorted single-bond geometry to one P(4) and one S(2) atom. In the fourth P site, P(4) is bonded in a distorted water-like geometry to one P(3), one S(1), and one S(4) atom. There are five inequivalent S sites. In the first S site, S(1) is bonded in a water-like geometry to one P(2) and one P(4) atom. In the second S site, S(2) is bonded in a water-like geometry to one P(2) and one P(3) atom. In the third S site, S(3) is bonded in a bent 120 degrees geometry to one Ta(1) and one P(1) atom. In the fourth S site, S(4) is bonded in an L-shaped geometry to one P(1) and one P(4) atom. In the fifth S site, S(5) is bonded in a water-like geometry to one P(1) and one P(2) atom. There are five inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Ta(1) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one Ta(1) atom. In the third Cl site, Cl(3) is bonded in a single-bond geometry to one Ta(1) atom. In the fourth Cl site, Cl(4) is bonded in a single-bond geometry to one Ta(1) atom. In the fifth Cl site, Cl(5) is bonded in a single-bond geometry to one Ta(1) atom. is represented by the CIF card [CIF]
data_TaP4(SCl)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.931
_cell_length_b   10.617
_cell_length_c   13.660
_cell_angle_alpha   98.042
_cell_angle_beta   104.513
_cell_angle_gamma   106.944
_symmetry_Int_Tables_number   1
_cell_volume   905.901
_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  0.393  0.266  0.156  1.0
  Ta  Ta1  1  0.607  0.734  0.844  1.0
  P  P2  1  0.083  0.424  0.690  1.0
  P  P3  1  0.965  0.878  0.258  1.0
  P  P4  1  0.917  0.576  0.310  1.0
  P  P5  1  0.772  0.690  0.406  1.0
  P  P6  1  0.035  0.122  0.742  1.0
  P  P7  1  0.122  0.808  0.497  1.0
  P  P8  1  0.228  0.310  0.594  1.0
  P  P9  1  0.878  0.192  0.503  1.0
  S  S10  1  0.796  0.050  0.594  1.0
  S  S11  1  0.307  0.184  0.687  1.0
  S  S12  1  0.180  0.624  0.747  1.0
  S  S13  1  0.204  0.950  0.406  1.0
  S  S14  1  0.809  0.370  0.562  1.0
  S  S15  1  0.027  0.316  0.804  1.0
  S  S16  1  0.820  0.376  0.253  1.0
  S  S17  1  0.191  0.630  0.438  1.0
  S  S18  1  0.973  0.684  0.196  1.0
  S  S19  1  0.693  0.816  0.313  1.0
  Cl  Cl20  1  0.518  0.759  0.998  1.0
  Cl  Cl21  1  0.482  0.241  0.002  1.0
  Cl  Cl22  1  0.396  0.484  0.148  1.0
  Cl  Cl23  1  0.604  0.516  0.852  1.0
  Cl  Cl24  1  0.480  0.074  0.187  1.0
  Cl  Cl25  1  0.640  0.697  0.675  1.0
  Cl  Cl26  1  0.520  0.926  0.813  1.0
  Cl  Cl27  1  0.963  0.839  0.922  1.0
  Cl  Cl28  1  0.037  0.161  0.078  1.0
  Cl  Cl29  1  0.360  0.303  0.325  1.0
[/CIF]
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