The compound described by U(PS3)4 crystallizes in the tetragonal I4_1/a space group. U(1) is bonded in a 8-coordinate geometry to four equivalent S(2) and four equivalent S(3) atoms. P(1) is bonded to one S(2), one S(3), and two equivalent S(1) atoms to form edge-sharing PS4 tetrahedra. There are three inequivalent S sites. In the first S site, S(3) is bonded in an L-shaped geometry to one U(1) and one P(1) atom. In the second S site, S(1) is bonded in an L-shaped geometry to two equivalent P(1) atoms. In the third S site, S(2) is bonded in an L-shaped geometry to one U(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_U(PS3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.611
_cell_length_b   10.611
_cell_length_c   10.611
_cell_angle_alpha   102.561
_cell_angle_beta   102.561
_cell_angle_gamma   124.404
_symmetry_Int_Tables_number   1
_cell_volume   871.972
_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
  U  U0  1  0.250  0.750  0.500  1.0
  U  U1  1  0.000  0.000  0.000  1.0
  P  P2  1  0.178  0.501  0.690  1.0
  P  P3  1  0.811  0.488  0.310  1.0
  P  P4  1  0.751  0.561  0.823  1.0
  P  P5  1  0.738  0.928  0.177  1.0
  P  P6  1  0.072  0.249  0.810  1.0
  P  P7  1  0.439  0.262  0.190  1.0
  P  P8  1  0.499  0.189  0.677  1.0
  P  P9  1  0.512  0.822  0.323  1.0
  S  S10  1  0.764  0.369  0.734  1.0
  S  S11  1  0.635  0.030  0.266  1.0
  S  S12  1  0.619  0.385  0.105  1.0
  S  S13  1  0.280  0.514  0.895  1.0
  S  S14  1  0.486  0.381  0.766  1.0
  S  S15  1  0.615  0.720  0.234  1.0
  S  S16  1  0.631  0.365  0.395  1.0
  S  S17  1  0.970  0.236  0.605  1.0
  S  S18  1  0.113  0.646  0.698  1.0
  S  S19  1  0.947  0.414  0.302  1.0
  S  S20  1  0.896  0.697  0.033  1.0
  S  S21  1  0.664  0.863  0.967  1.0
  S  S22  1  0.137  0.104  0.802  1.0
  S  S23  1  0.303  0.336  0.198  1.0
  S  S24  1  0.354  0.053  0.467  1.0
  S  S25  1  0.586  0.887  0.533  1.0
  S  S26  1  0.808  0.721  0.730  1.0
  S  S27  1  0.991  0.078  0.270  1.0
  S  S28  1  0.971  0.741  0.413  1.0
  S  S29  1  0.328  0.558  0.587  1.0
  S  S30  1  0.442  0.029  0.770  1.0
  S  S31  1  0.259  0.672  0.230  1.0
  S  S32  1  0.279  0.009  0.087  1.0
  S  S33  1  0.922  0.192  0.913  1.0
[/CIF]
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The compound described by U(PS3)4 crystallizes in the tetragonal I4_1/a space group. U(1) is bonded in a 8-coordinate geometry to four equivalent S(2) and four equivalent S(3) atoms. P(1) is bonded to one S(2), one S(3), and two equivalent S(1) atoms to form edge-sharing PS4 tetrahedra. There are three inequivalent S sites. In the first S site, S(3) is bonded in an L-shaped geometry to one U(1) and one P(1) atom. In the second S site, S(1) is bonded in an L-shaped geometry to two equivalent P(1) atoms. In the third S site, S(2) is bonded in an L-shaped geometry to one U(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_U(PS3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.611
_cell_length_b   10.611
_cell_length_c   10.611
_cell_angle_alpha   102.561
_cell_angle_beta   102.561
_cell_angle_gamma   124.404
_symmetry_Int_Tables_number   1
_cell_volume   871.972
_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
  U  U0  1  0.250  0.750  0.500  1.0
  U  U1  1  0.000  0.000  0.000  1.0
  P  P2  1  0.178  0.501  0.690  1.0
  P  P3  1  0.811  0.488  0.310  1.0
  P  P4  1  0.751  0.561  0.823  1.0
  P  P5  1  0.738  0.928  0.177  1.0
  P  P6  1  0.072  0.249  0.810  1.0
  P  P7  1  0.439  0.262  0.190  1.0
  P  P8  1  0.499  0.189  0.677  1.0
  P  P9  1  0.512  0.822  0.323  1.0
  S  S10  1  0.764  0.369  0.734  1.0
  S  S11  1  0.635  0.030  0.266  1.0
  S  S12  1  0.619  0.385  0.105  1.0
  S  S13  1  0.280  0.514  0.895  1.0
  S  S14  1  0.486  0.381  0.766  1.0
  S  S15  1  0.615  0.720  0.234  1.0
  S  S16  1  0.631  0.365  0.395  1.0
  S  S17  1  0.970  0.236  0.605  1.0
  S  S18  1  0.113  0.646  0.698  1.0
  S  S19  1  0.947  0.414  0.302  1.0
  S  S20  1  0.896  0.697  0.033  1.0
  S  S21  1  0.664  0.863  0.967  1.0
  S  S22  1  0.137  0.104  0.802  1.0
  S  S23  1  0.303  0.336  0.198  1.0
  S  S24  1  0.354  0.053  0.467  1.0
  S  S25  1  0.586  0.887  0.533  1.0
  S  S26  1  0.808  0.721  0.730  1.0
  S  S27  1  0.991  0.078  0.270  1.0
  S  S28  1  0.971  0.741  0.413  1.0
  S  S29  1  0.328  0.558  0.587  1.0
  S  S30  1  0.442  0.029  0.770  1.0
  S  S31  1  0.259  0.672  0.230  1.0
  S  S32  1  0.279  0.009  0.087  1.0
  S  S33  1  0.922  0.192  0.913  1.0
[/CIF]
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