The material described by U3(PS4)4 crystallizes in the tetragonal I-4c2 space group. There are three inequivalent U sites. In the first U site, U(1) is bonded to four equivalent S(1) and four equivalent S(4) atoms to form distorted US8 hexagonal bipyramids that share edges with four equivalent P(1)S4 tetrahedra. In the second U site, U(2) is bonded to four equivalent S(2) and four equivalent S(3) atoms to form distorted US8 hexagonal bipyramids that share edges with four equivalent P(1)S4 tetrahedra. In the third U site, U(3) is bonded in a 8-coordinate geometry to four equivalent S(1) and four equivalent S(3) atoms. P(1) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form PS4 tetrahedra that share  an edgeedge with one U(1)S8 hexagonal bipyramid and  an edgeedge with one U(2)S8 hexagonal bipyramid. There are four inequivalent S sites. In the first S site, S(3) is bonded in a distorted T-shaped geometry to one U(2), one U(3), and one P(1) atom. In the second S site, S(4) is bonded in a water-like geometry to one U(1) and one P(1) atom. In the third S site, S(1) is bonded in a distorted T-shaped geometry to one U(1), one U(3), and one P(1) atom. In the fourth S site, S(2) is bonded in an L-shaped geometry to one U(2) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_U3(PS4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.180
_cell_length_b   12.180
_cell_length_c   12.180
_cell_angle_alpha   126.524
_cell_angle_beta   126.524
_cell_angle_gamma   79.029
_symmetry_Int_Tables_number   1
_cell_volume   1128.719
_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  0.750  0.750  0.000  1.0
  U  U1  1  0.250  0.250  0.000  1.0
  U  U2  1  0.000  0.500  0.500  1.0
  U  U3  1  0.500  0.000  0.500  1.0
  U  U4  1  0.250  0.750  0.500  1.0
  U  U5  1  0.750  0.250  0.500  1.0
  P  P6  1  0.127  0.841  0.218  1.0
  P  P7  1  0.627  0.410  0.286  1.0
  P  P8  1  0.090  0.873  0.714  1.0
  P  P9  1  0.590  0.877  0.218  1.0
  P  P10  1  0.659  0.373  0.782  1.0
  P  P11  1  0.159  0.377  0.286  1.0
  P  P12  1  0.123  0.341  0.714  1.0
  P  P13  1  0.623  0.910  0.782  1.0
  S  S14  1  0.042  0.858  0.331  1.0
  S  S15  1  0.542  0.211  0.184  1.0
  S  S16  1  0.098  0.775  0.805  1.0
  S  S17  1  0.598  0.792  0.323  1.0
  S  S18  1  0.725  0.402  0.195  1.0
  S  S19  1  0.225  0.031  0.323  1.0
  S  S20  1  0.642  0.458  0.669  1.0
  S  S21  1  0.142  0.473  0.184  1.0
  S  S22  1  0.027  0.358  0.816  1.0
  S  S23  1  0.527  0.711  0.669  1.0
  S  S24  1  0.469  0.275  0.677  1.0
  S  S25  1  0.969  0.292  0.195  1.0
  S  S26  1  0.708  0.902  0.677  1.0
  S  S27  1  0.208  0.531  0.805  1.0
  S  S28  1  0.289  0.958  0.816  1.0
  S  S29  1  0.789  0.973  0.331  1.0
  S  S30  1  0.462  0.010  0.720  1.0
  S  S31  1  0.962  0.242  0.452  1.0
  S  S32  1  0.278  0.239  0.236  1.0
  S  S33  1  0.778  0.542  0.038  1.0
  S  S34  1  0.261  0.222  0.764  1.0
  S  S35  1  0.761  0.996  0.038  1.0
  S  S36  1  0.490  0.038  0.280  1.0
  S  S37  1  0.990  0.711  0.452  1.0
  S  S38  1  0.789  0.510  0.548  1.0
  S  S39  1  0.289  0.742  0.280  1.0
  S  S40  1  0.504  0.739  0.962  1.0
  S  S41  1  0.004  0.042  0.764  1.0
  S  S42  1  0.958  0.722  0.962  1.0
  S  S43  1  0.458  0.496  0.236  1.0
  S  S44  1  0.258  0.538  0.548  1.0
  S  S45  1  0.758  0.211  0.720  1.0
[/CIF]
.
The material described by U3(PS4)4 crystallizes in the tetragonal I-4c2 space group. There are three inequivalent U sites. In the first U site, U(1) is bonded to four equivalent S(1) and four equivalent S(4) atoms to form distorted US8 hexagonal bipyramids that share edges with four equivalent P(1)S4 tetrahedra. In the second U site, U(2) is bonded to four equivalent S(2) and four equivalent S(3) atoms to form distorted US8 hexagonal bipyramids that share edges with four equivalent P(1)S4 tetrahedra. In the third U site, U(3) is bonded in a 8-coordinate geometry to four equivalent S(1) and four equivalent S(3) atoms. P(1) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form PS4 tetrahedra that share  an edgeedge with one U(1)S8 hexagonal bipyramid and  an edgeedge with one U(2)S8 hexagonal bipyramid. There are four inequivalent S sites. In the first S site, S(3) is bonded in a distorted T-shaped geometry to one U(2), one U(3), and one P(1) atom. In the second S site, S(4) is bonded in a water-like geometry to one U(1) and one P(1) atom. In the third S site, S(1) is bonded in a distorted T-shaped geometry to one U(1), one U(3), and one P(1) atom. In the fourth S site, S(2) is bonded in an L-shaped geometry to one U(2) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_U3(PS4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.180
_cell_length_b   12.180
_cell_length_c   12.180
_cell_angle_alpha   126.524
_cell_angle_beta   126.524
_cell_angle_gamma   79.029
_symmetry_Int_Tables_number   1
_cell_volume   1128.719
_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  0.750  0.750  0.000  1.0
  U  U1  1  0.250  0.250  0.000  1.0
  U  U2  1  0.000  0.500  0.500  1.0
  U  U3  1  0.500  0.000  0.500  1.0
  U  U4  1  0.250  0.750  0.500  1.0
  U  U5  1  0.750  0.250  0.500  1.0
  P  P6  1  0.127  0.841  0.218  1.0
  P  P7  1  0.627  0.410  0.286  1.0
  P  P8  1  0.090  0.873  0.714  1.0
  P  P9  1  0.590  0.877  0.218  1.0
  P  P10  1  0.659  0.373  0.782  1.0
  P  P11  1  0.159  0.377  0.286  1.0
  P  P12  1  0.123  0.341  0.714  1.0
  P  P13  1  0.623  0.910  0.782  1.0
  S  S14  1  0.042  0.858  0.331  1.0
  S  S15  1  0.542  0.211  0.184  1.0
  S  S16  1  0.098  0.775  0.805  1.0
  S  S17  1  0.598  0.792  0.323  1.0
  S  S18  1  0.725  0.402  0.195  1.0
  S  S19  1  0.225  0.031  0.323  1.0
  S  S20  1  0.642  0.458  0.669  1.0
  S  S21  1  0.142  0.473  0.184  1.0
  S  S22  1  0.027  0.358  0.816  1.0
  S  S23  1  0.527  0.711  0.669  1.0
  S  S24  1  0.469  0.275  0.677  1.0
  S  S25  1  0.969  0.292  0.195  1.0
  S  S26  1  0.708  0.902  0.677  1.0
  S  S27  1  0.208  0.531  0.805  1.0
  S  S28  1  0.289  0.958  0.816  1.0
  S  S29  1  0.789  0.973  0.331  1.0
  S  S30  1  0.462  0.010  0.720  1.0
  S  S31  1  0.962  0.242  0.452  1.0
  S  S32  1  0.278  0.239  0.236  1.0
  S  S33  1  0.778  0.542  0.038  1.0
  S  S34  1  0.261  0.222  0.764  1.0
  S  S35  1  0.761  0.996  0.038  1.0
  S  S36  1  0.490  0.038  0.280  1.0
  S  S37  1  0.990  0.711  0.452  1.0
  S  S38  1  0.789  0.510  0.548  1.0
  S  S39  1  0.289  0.742  0.280  1.0
  S  S40  1  0.504  0.739  0.962  1.0
  S  S41  1  0.004  0.042  0.764  1.0
  S  S42  1  0.958  0.722  0.962  1.0
  S  S43  1  0.458  0.496  0.236  1.0
  S  S44  1  0.258  0.538  0.548  1.0
  S  S45  1  0.758  0.211  0.720  1.0
[/CIF]
.