The material described by UThNdS5 crystallizes in the orthorhombic P2_12_12_1 space group. U(1) is bonded to one S(3), one S(4), one S(5), two equivalent S(1), and two equivalent S(2) atoms to form distorted edge-sharing US7 pentagonal bipyramids. Th(1) is bonded in a 8-coordinate geometry to two equivalent S(2), two equivalent S(3), two equivalent S(4), and two equivalent S(5) atoms. Nd(1) is bonded in a 8-coordinate geometry to two equivalent S(1), two equivalent S(3), two equivalent S(4), and two equivalent S(5) atoms. There are five inequivalent S sites. In the first S site, S(1) is bonded to two equivalent U(1) and two equivalent Nd(1) atoms to form distorted SNd2U2 trigonal pyramids that share corners with two equivalent S(3)Nd2Th2U square pyramids, corners with four equivalent S(5)Nd2Th2U square pyramids, corners with two equivalent S(2)Th2U2 tetrahedra, corners with two equivalent S(4)Nd2Th2U trigonal bipyramids, corners with four equivalent S(1)Nd2U2 trigonal pyramids,  an edgeedge with one S(5)Nd2Th2U square pyramid, edges with two equivalent S(3)Nd2Th2U square pyramids,  an edgeedge with one S(2)Th2U2 tetrahedra, and edges with two equivalent S(4)Nd2Th2U trigonal bipyramids. In the second S site, S(2) is bonded to two equivalent U(1) and two equivalent Th(1) atoms to form distorted STh2U2 tetrahedra that share corners with two equivalent S(3)Nd2Th2U square pyramids, corners with four equivalent S(5)Nd2Th2U square pyramids, corners with four equivalent S(2)Th2U2 tetrahedra, corners with two equivalent S(4)Nd2Th2U trigonal bipyramids, corners with two equivalent S(1)Nd2U2 trigonal pyramids,  an edgeedge with one S(5)Nd2Th2U square pyramid, edges with two equivalent S(3)Nd2Th2U square pyramids, edges with two equivalent S(4)Nd2Th2U trigonal bipyramids, and  an edgeedge with one S(1)Nd2U2 trigonal pyramid. In the third S site, S(3) is bonded to one U(1), two equivalent Th(1), and two equivalent Nd(1) atoms to form SNd2Th2U square pyramids that share corners with four equivalent S(3)Nd2Th2U square pyramids, corners with four equivalent S(5)Nd2Th2U square pyramids, corners with two equivalent S(2)Th2U2 tetrahedra,  a cornercorner with one S(4)Nd2Th2U trigonal bipyramid, corners with two equivalent S(1)Nd2U2 trigonal pyramids,  an edgeedge with one S(5)Nd2Th2U square pyramid, edges with two equivalent S(2)Th2U2 tetrahedra, edges with four equivalent S(4)Nd2Th2U trigonal bipyramids, edges with two equivalent S(1)Nd2U2 trigonal pyramids, and  a faceface with one S(5)Nd2Th2U square pyramid. In the fourth S site, S(4) is bonded to one U(1), two equivalent Th(1), and two equivalent Nd(1) atoms to form distorted SNd2Th2U trigonal bipyramids that share  a cornercorner with one S(3)Nd2Th2U square pyramid, corners with five equivalent S(5)Nd2Th2U square pyramids, corners with two equivalent S(2)Th2U2 tetrahedra, corners with four equivalent S(4)Nd2Th2U trigonal bipyramids, corners with two equivalent S(1)Nd2U2 trigonal pyramids, edges with two equivalent S(5)Nd2Th2U square pyramids, edges with four equivalent S(3)Nd2Th2U square pyramids, edges with two equivalent S(2)Th2U2 tetrahedra, and edges with two equivalent S(1)Nd2U2 trigonal pyramids. In the fifth S site, S(5) is bonded to one U(1), two equivalent Th(1), and two equivalent Nd(1) atoms to form SNd2Th2U square pyramids that share corners with four equivalent S(3)Nd2Th2U square pyramids, corners with four equivalent S(2)Th2U2 tetrahedra, corners with five equivalent S(4)Nd2Th2U trigonal bipyramids, corners with four equivalent S(1)Nd2U2 trigonal pyramids,  an edgeedge with one S(3)Nd2Th2U square pyramid, edges with two equivalent S(5)Nd2Th2U square pyramids,  an edgeedge with one S(2)Th2U2 tetrahedra, edges with two equivalent S(4)Nd2Th2U trigonal bipyramids,  an edgeedge with one S(1)Nd2U2 trigonal pyramid, and  a faceface with one S(3)Nd2Th2U square pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_NdThUS5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.479
_cell_length_b   8.032
_cell_length_c   12.053
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   724.090
_cell_formula_units_Z   4
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
  Nd  Nd0  1  0.978  0.752  0.931  1.0
  Nd  Nd1  1  0.522  0.248  0.431  1.0
  Nd  Nd2  1  0.022  0.252  0.569  1.0
  Nd  Nd3  1  0.478  0.748  0.069  1.0
  Th  Th4  1  0.024  0.751  0.575  1.0
  Th  Th5  1  0.476  0.249  0.075  1.0
  Th  Th6  1  0.976  0.251  0.925  1.0
  Th  Th7  1  0.524  0.749  0.425  1.0
  U  U8  1  0.430  0.498  0.755  1.0
  U  U9  1  0.070  0.502  0.255  1.0
  U  U10  1  0.570  0.998  0.745  1.0
  U  U11  1  0.930  0.002  0.245  1.0
  S  S12  1  0.664  0.288  0.653  1.0
  S  S13  1  0.836  0.712  0.153  1.0
  S  S14  1  0.336  0.788  0.847  1.0
  S  S15  1  0.164  0.212  0.347  1.0
  S  S16  1  0.336  0.209  0.852  1.0
  S  S17  1  0.164  0.791  0.352  1.0
  S  S18  1  0.664  0.709  0.648  1.0
  S  S19  1  0.836  0.291  0.148  1.0
  S  S20  1  0.303  0.506  0.535  1.0
  S  S21  1  0.197  0.494  0.035  1.0
  S  S22  1  0.697  0.006  0.965  1.0
  S  S23  1  0.803  0.994  0.465  1.0
  S  S24  1  0.671  0.492  0.937  1.0
  S  S25  1  0.829  0.508  0.437  1.0
  S  S26  1  0.329  0.992  0.563  1.0
  S  S27  1  0.171  0.008  0.063  1.0
  S  S28  1  0.041  0.501  0.750  1.0
  S  S29  1  0.459  0.499  0.250  1.0
  S  S30  1  0.959  0.001  0.750  1.0
  S  S31  1  0.541  0.999  0.250  1.0
[/CIF]
.
The material described by UThNdS5 crystallizes in the orthorhombic P2_12_12_1 space group. U(1) is bonded to one S(3), one S(4), one S(5), two equivalent S(1), and two equivalent S(2) atoms to form distorted edge-sharing US7 pentagonal bipyramids. Th(1) is bonded in a 8-coordinate geometry to two equivalent S(2), two equivalent S(3), two equivalent S(4), and two equivalent S(5) atoms. Nd(1) is bonded in a 8-coordinate geometry to two equivalent S(1), two equivalent S(3), two equivalent S(4), and two equivalent S(5) atoms. There are five inequivalent S sites. In the first S site, S(1) is bonded to two equivalent U(1) and two equivalent Nd(1) atoms to form distorted SNd2U2 trigonal pyramids that share corners with two equivalent S(3)Nd2Th2U square pyramids, corners with four equivalent S(5)Nd2Th2U square pyramids, corners with two equivalent S(2)Th2U2 tetrahedra, corners with two equivalent S(4)Nd2Th2U trigonal bipyramids, corners with four equivalent S(1)Nd2U2 trigonal pyramids,  an edgeedge with one S(5)Nd2Th2U square pyramid, edges with two equivalent S(3)Nd2Th2U square pyramids,  an edgeedge with one S(2)Th2U2 tetrahedra, and edges with two equivalent S(4)Nd2Th2U trigonal bipyramids. In the second S site, S(2) is bonded to two equivalent U(1) and two equivalent Th(1) atoms to form distorted STh2U2 tetrahedra that share corners with two equivalent S(3)Nd2Th2U square pyramids, corners with four equivalent S(5)Nd2Th2U square pyramids, corners with four equivalent S(2)Th2U2 tetrahedra, corners with two equivalent S(4)Nd2Th2U trigonal bipyramids, corners with two equivalent S(1)Nd2U2 trigonal pyramids,  an edgeedge with one S(5)Nd2Th2U square pyramid, edges with two equivalent S(3)Nd2Th2U square pyramids, edges with two equivalent S(4)Nd2Th2U trigonal bipyramids, and  an edgeedge with one S(1)Nd2U2 trigonal pyramid. In the third S site, S(3) is bonded to one U(1), two equivalent Th(1), and two equivalent Nd(1) atoms to form SNd2Th2U square pyramids that share corners with four equivalent S(3)Nd2Th2U square pyramids, corners with four equivalent S(5)Nd2Th2U square pyramids, corners with two equivalent S(2)Th2U2 tetrahedra,  a cornercorner with one S(4)Nd2Th2U trigonal bipyramid, corners with two equivalent S(1)Nd2U2 trigonal pyramids,  an edgeedge with one S(5)Nd2Th2U square pyramid, edges with two equivalent S(2)Th2U2 tetrahedra, edges with four equivalent S(4)Nd2Th2U trigonal bipyramids, edges with two equivalent S(1)Nd2U2 trigonal pyramids, and  a faceface with one S(5)Nd2Th2U square pyramid. In the fourth S site, S(4) is bonded to one U(1), two equivalent Th(1), and two equivalent Nd(1) atoms to form distorted SNd2Th2U trigonal bipyramids that share  a cornercorner with one S(3)Nd2Th2U square pyramid, corners with five equivalent S(5)Nd2Th2U square pyramids, corners with two equivalent S(2)Th2U2 tetrahedra, corners with four equivalent S(4)Nd2Th2U trigonal bipyramids, corners with two equivalent S(1)Nd2U2 trigonal pyramids, edges with two equivalent S(5)Nd2Th2U square pyramids, edges with four equivalent S(3)Nd2Th2U square pyramids, edges with two equivalent S(2)Th2U2 tetrahedra, and edges with two equivalent S(1)Nd2U2 trigonal pyramids. In the fifth S site, S(5) is bonded to one U(1), two equivalent Th(1), and two equivalent Nd(1) atoms to form SNd2Th2U square pyramids that share corners with four equivalent S(3)Nd2Th2U square pyramids, corners with four equivalent S(2)Th2U2 tetrahedra, corners with five equivalent S(4)Nd2Th2U trigonal bipyramids, corners with four equivalent S(1)Nd2U2 trigonal pyramids,  an edgeedge with one S(3)Nd2Th2U square pyramid, edges with two equivalent S(5)Nd2Th2U square pyramids,  an edgeedge with one S(2)Th2U2 tetrahedra, edges with two equivalent S(4)Nd2Th2U trigonal bipyramids,  an edgeedge with one S(1)Nd2U2 trigonal pyramid, and  a faceface with one S(3)Nd2Th2U square pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_NdThUS5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.479
_cell_length_b   8.032
_cell_length_c   12.053
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   724.090
_cell_formula_units_Z   4
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
  Nd  Nd0  1  0.978  0.752  0.931  1.0
  Nd  Nd1  1  0.522  0.248  0.431  1.0
  Nd  Nd2  1  0.022  0.252  0.569  1.0
  Nd  Nd3  1  0.478  0.748  0.069  1.0
  Th  Th4  1  0.024  0.751  0.575  1.0
  Th  Th5  1  0.476  0.249  0.075  1.0
  Th  Th6  1  0.976  0.251  0.925  1.0
  Th  Th7  1  0.524  0.749  0.425  1.0
  U  U8  1  0.430  0.498  0.755  1.0
  U  U9  1  0.070  0.502  0.255  1.0
  U  U10  1  0.570  0.998  0.745  1.0
  U  U11  1  0.930  0.002  0.245  1.0
  S  S12  1  0.664  0.288  0.653  1.0
  S  S13  1  0.836  0.712  0.153  1.0
  S  S14  1  0.336  0.788  0.847  1.0
  S  S15  1  0.164  0.212  0.347  1.0
  S  S16  1  0.336  0.209  0.852  1.0
  S  S17  1  0.164  0.791  0.352  1.0
  S  S18  1  0.664  0.709  0.648  1.0
  S  S19  1  0.836  0.291  0.148  1.0
  S  S20  1  0.303  0.506  0.535  1.0
  S  S21  1  0.197  0.494  0.035  1.0
  S  S22  1  0.697  0.006  0.965  1.0
  S  S23  1  0.803  0.994  0.465  1.0
  S  S24  1  0.671  0.492  0.937  1.0
  S  S25  1  0.829  0.508  0.437  1.0
  S  S26  1  0.329  0.992  0.563  1.0
  S  S27  1  0.171  0.008  0.063  1.0
  S  S28  1  0.041  0.501  0.750  1.0
  S  S29  1  0.459  0.499  0.250  1.0
  S  S30  1  0.959  0.001  0.750  1.0
  S  S31  1  0.541  0.999  0.250  1.0
[/CIF]
.