The crystal structure described by Hf(PS3)2 crystallizes in the triclinic P1 space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a distorted octahedral geometry to one S(1), one S(10), one S(2), one S(3), one S(4), and one S(9) atom. In the second Hf site, Hf(2) is bonded in a distorted octahedral geometry to one S(11), one S(12), one S(5), one S(6), one S(7), and one S(8) 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(11), one S(3), and one S(8) atom. In the second P site, P(2) is bonded in a distorted trigonal non-coplanar geometry to one S(1), one S(6), and one S(9) atom. In the third P site, P(3) is bonded in a distorted trigonal non-coplanar geometry to one S(10), one S(2), and one S(5) atom. In the fourth P site, P(4) is bonded in a distorted trigonal non-coplanar geometry to one S(12), one S(4), and one S(7) atom. There are twelve inequivalent S sites. In the first S site, S(1) is bonded in an L-shaped geometry to one Hf(1) and one P(2) atom. In the second S site, S(2) is bonded in an L-shaped geometry to one Hf(1) and one P(3) atom. In the third S site, S(3) is bonded in a water-like geometry to one Hf(1) and one P(1) atom. In the fourth S site, S(4) is bonded in a water-like geometry to one Hf(1) and one P(4) atom. In the fifth S site, S(5) is bonded in a water-like geometry to one Hf(2) and one P(3) atom. In the sixth S site, S(6) is bonded in a water-like geometry to one Hf(2) and one P(2) atom. In the seventh S site, S(7) is bonded in an L-shaped geometry to one Hf(2) and one P(4) atom. In the eighth S site, S(8) is bonded in an L-shaped geometry to one Hf(2) and one P(1) atom. In the ninth S site, S(9) is bonded in an L-shaped geometry to one Hf(1) and one P(2) atom. In the tenth S site, S(10) is bonded in an L-shaped geometry to one Hf(1) and one P(3) atom. In the eleventh S site, S(11) is bonded in an L-shaped geometry to one Hf(2) and one P(1) atom. In the twelfth S site, S(12) is bonded in an L-shaped geometry to one Hf(2) and one P(4) atom. is represented by the CIF card [CIF]
data_Hf(PS3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.371
_cell_length_b   11.662
_cell_length_c   7.139
_cell_angle_alpha   78.245
_cell_angle_beta   67.354
_cell_angle_gamma   34.401
_symmetry_Int_Tables_number   1
_cell_volume   524.058
_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
  Hf  Hf0  1  0.858  0.843  0.147  1.0
  Hf  Hf1  1  0.107  0.096  0.402  1.0
  P  P2  1  0.516  0.861  0.354  1.0
  P  P3  1  0.888  0.982  0.733  1.0
  P  P4  1  0.988  0.887  0.388  1.0
  P  P5  1  0.860  0.513  0.272  1.0
  S  S6  1  0.138  0.717  0.818  1.0
  S  S7  1  0.716  0.135  0.336  1.0
  S  S8  1  0.530  0.012  0.417  1.0
  S  S9  1  0.004  0.534  0.043  1.0
  S  S10  1  0.205  0.833  0.236  1.0
  S  S11  1  0.825  0.211  0.731  1.0
  S  S12  1  0.916  0.318  0.148  1.0
  S  S13  1  0.329  0.906  0.614  1.0
  S  S14  1  0.635  0.097  0.934  1.0
  S  S15  1  0.097  0.636  0.333  1.0
  S  S16  1  0.433  0.925  0.115  1.0
  S  S17  1  0.910  0.444  0.535  1.0
[/CIF]
.
The crystal structure described by Hf(PS3)2 crystallizes in the triclinic P1 space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a distorted octahedral geometry to one S(1), one S(10), one S(2), one S(3), one S(4), and one S(9) atom. In the second Hf site, Hf(2) is bonded in a distorted octahedral geometry to one S(11), one S(12), one S(5), one S(6), one S(7), and one S(8) 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(11), one S(3), and one S(8) atom. In the second P site, P(2) is bonded in a distorted trigonal non-coplanar geometry to one S(1), one S(6), and one S(9) atom. In the third P site, P(3) is bonded in a distorted trigonal non-coplanar geometry to one S(10), one S(2), and one S(5) atom. In the fourth P site, P(4) is bonded in a distorted trigonal non-coplanar geometry to one S(12), one S(4), and one S(7) atom. There are twelve inequivalent S sites. In the first S site, S(1) is bonded in an L-shaped geometry to one Hf(1) and one P(2) atom. In the second S site, S(2) is bonded in an L-shaped geometry to one Hf(1) and one P(3) atom. In the third S site, S(3) is bonded in a water-like geometry to one Hf(1) and one P(1) atom. In the fourth S site, S(4) is bonded in a water-like geometry to one Hf(1) and one P(4) atom. In the fifth S site, S(5) is bonded in a water-like geometry to one Hf(2) and one P(3) atom. In the sixth S site, S(6) is bonded in a water-like geometry to one Hf(2) and one P(2) atom. In the seventh S site, S(7) is bonded in an L-shaped geometry to one Hf(2) and one P(4) atom. In the eighth S site, S(8) is bonded in an L-shaped geometry to one Hf(2) and one P(1) atom. In the ninth S site, S(9) is bonded in an L-shaped geometry to one Hf(1) and one P(2) atom. In the tenth S site, S(10) is bonded in an L-shaped geometry to one Hf(1) and one P(3) atom. In the eleventh S site, S(11) is bonded in an L-shaped geometry to one Hf(2) and one P(1) atom. In the twelfth S site, S(12) is bonded in an L-shaped geometry to one Hf(2) and one P(4) atom. is represented by the CIF card [CIF]
data_Hf(PS3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.371
_cell_length_b   11.662
_cell_length_c   7.139
_cell_angle_alpha   78.245
_cell_angle_beta   67.354
_cell_angle_gamma   34.401
_symmetry_Int_Tables_number   1
_cell_volume   524.058
_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
  Hf  Hf0  1  0.858  0.843  0.147  1.0
  Hf  Hf1  1  0.107  0.096  0.402  1.0
  P  P2  1  0.516  0.861  0.354  1.0
  P  P3  1  0.888  0.982  0.733  1.0
  P  P4  1  0.988  0.887  0.388  1.0
  P  P5  1  0.860  0.513  0.272  1.0
  S  S6  1  0.138  0.717  0.818  1.0
  S  S7  1  0.716  0.135  0.336  1.0
  S  S8  1  0.530  0.012  0.417  1.0
  S  S9  1  0.004  0.534  0.043  1.0
  S  S10  1  0.205  0.833  0.236  1.0
  S  S11  1  0.825  0.211  0.731  1.0
  S  S12  1  0.916  0.318  0.148  1.0
  S  S13  1  0.329  0.906  0.614  1.0
  S  S14  1  0.635  0.097  0.934  1.0
  S  S15  1  0.097  0.636  0.333  1.0
  S  S16  1  0.433  0.925  0.115  1.0
  S  S17  1  0.910  0.444  0.535  1.0
[/CIF]
.