The material structure described by U2ThS5 crystallizes in the orthorhombic Pna2_1 space group. There are two inequivalent U sites. In the first U site, 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. In the second U site, U(2) is bonded in a 8-coordinate geometry to one S(1), one S(2), two equivalent S(3), two equivalent S(4), and two equivalent S(5) atoms. Th(1) is bonded in a 8-coordinate geometry to one S(1), one S(2), 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 one U(2), two equivalent U(1), and one Th(1) atom to form distorted SThU3 trigonal pyramids that share corners with two equivalent S(3)Th2U3 square pyramids, corners with four equivalent S(5)Th2U3 square pyramids, corners with two equivalent S(4)Th2U3 trigonal bipyramids, corners with two equivalent S(1)ThU3 trigonal pyramids, corners with four equivalent S(2)ThU3 trigonal pyramids,  an edgeedge with one S(5)Th2U3 square pyramid, edges with two equivalent S(3)Th2U3 square pyramids, edges with two equivalent S(4)Th2U3 trigonal bipyramids, and  an edgeedge with one S(2)ThU3 trigonal pyramid. In the second S site, S(2) is bonded to one U(2), two equivalent U(1), and one Th(1) atom to form distorted SThU3 trigonal pyramids that share corners with two equivalent S(3)Th2U3 square pyramids, corners with four equivalent S(5)Th2U3 square pyramids, corners with two equivalent S(4)Th2U3 trigonal bipyramids, corners with two equivalent S(2)ThU3 trigonal pyramids, corners with four equivalent S(1)ThU3 trigonal pyramids,  an edgeedge with one S(5)Th2U3 square pyramid, edges with two equivalent S(3)Th2U3 square pyramids, edges with two equivalent S(4)Th2U3 trigonal bipyramids, and  an edgeedge with one S(1)ThU3 trigonal pyramid. In the third S site, S(3) is bonded to one U(1), two equivalent U(2), and two equivalent Th(1) atoms to form distorted STh2U3 square pyramids that share corners with four equivalent S(3)Th2U3 square pyramids, corners with four equivalent S(5)Th2U3 square pyramids,  a cornercorner with one S(4)Th2U3 trigonal bipyramid, corners with two equivalent S(1)ThU3 trigonal pyramids, corners with two equivalent S(2)ThU3 trigonal pyramids,  an edgeedge with one S(5)Th2U3 square pyramid, edges with four equivalent S(4)Th2U3 trigonal bipyramids, edges with two equivalent S(1)ThU3 trigonal pyramids, edges with two equivalent S(2)ThU3 trigonal pyramids, and  a faceface with one S(5)Th2U3 square pyramid. In the fourth S site, S(4) is bonded to one U(1), two equivalent U(2), and two equivalent Th(1) atoms to form distorted STh2U3 trigonal bipyramids that share  a cornercorner with one S(3)Th2U3 square pyramid, corners with five equivalent S(5)Th2U3 square pyramids, corners with four equivalent S(4)Th2U3 trigonal bipyramids, corners with two equivalent S(1)ThU3 trigonal pyramids, corners with two equivalent S(2)ThU3 trigonal pyramids, edges with two equivalent S(5)Th2U3 square pyramids, edges with four equivalent S(3)Th2U3 square pyramids, edges with two equivalent S(1)ThU3 trigonal pyramids, and edges with two equivalent S(2)ThU3 trigonal pyramids. In the fifth S site, S(5) is bonded to one U(1), two equivalent U(2), and two equivalent Th(1) atoms to form STh2U3 square pyramids that share corners with four equivalent S(3)Th2U3 square pyramids, corners with five equivalent S(4)Th2U3 trigonal bipyramids, corners with four equivalent S(1)ThU3 trigonal pyramids, corners with four equivalent S(2)ThU3 trigonal pyramids,  an edgeedge with one S(3)Th2U3 square pyramid, edges with two equivalent S(5)Th2U3 square pyramids, edges with two equivalent S(4)Th2U3 trigonal bipyramids,  an edgeedge with one S(1)ThU3 trigonal pyramid,  an edgeedge with one S(2)ThU3 trigonal pyramid, and  a faceface with one S(3)Th2U3 square pyramid. is represented by the CIF file [CIF]
data_ThU2S5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.417
_cell_length_b   7.955
_cell_length_c   11.823
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   697.577
_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
  Th  Th0  1  0.023  0.499  0.822  1.0
  Th  Th1  1  0.977  0.999  0.178  1.0
  Th  Th2  1  0.523  0.999  0.678  1.0
  Th  Th3  1  0.477  0.499  0.322  1.0
  U  U4  1  0.574  0.251  0.992  1.0
  U  U5  1  0.926  0.251  0.492  1.0
  U  U6  1  0.426  0.751  0.008  1.0
  U  U7  1  0.074  0.751  0.508  1.0
  U  U8  1  0.478  0.000  0.320  1.0
  U  U9  1  0.522  0.500  0.680  1.0
  U  U10  1  0.978  0.500  0.180  1.0
  U  U11  1  0.022  0.000  0.820  1.0
  S  S12  1  0.336  0.044  0.099  1.0
  S  S13  1  0.168  0.455  0.597  1.0
  S  S14  1  0.664  0.544  0.901  1.0
  S  S15  1  0.832  0.955  0.403  1.0
  S  S16  1  0.668  0.955  0.903  1.0
  S  S17  1  0.836  0.544  0.401  1.0
  S  S18  1  0.332  0.455  0.097  1.0
  S  S19  1  0.164  0.044  0.599  1.0
  S  S20  1  0.700  0.250  0.216  1.0
  S  S21  1  0.800  0.250  0.716  1.0
  S  S22  1  0.300  0.750  0.784  1.0
  S  S23  1  0.200  0.750  0.284  1.0
  S  S24  1  0.329  0.250  0.812  1.0
  S  S25  1  0.171  0.250  0.312  1.0
  S  S26  1  0.671  0.750  0.188  1.0
  S  S27  1  0.829  0.750  0.688  1.0
  S  S28  1  0.962  0.250  0.999  1.0
  S  S29  1  0.538  0.250  0.499  1.0
  S  S30  1  0.038  0.750  0.001  1.0
  S  S31  1  0.462  0.750  0.501  1.0
[/CIF]
.
The material structure described by U2ThS5 crystallizes in the orthorhombic Pna2_1 space group. There are two inequivalent U sites. In the first U site, 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. In the second U site, U(2) is bonded in a 8-coordinate geometry to one S(1), one S(2), two equivalent S(3), two equivalent S(4), and two equivalent S(5) atoms. Th(1) is bonded in a 8-coordinate geometry to one S(1), one S(2), 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 one U(2), two equivalent U(1), and one Th(1) atom to form distorted SThU3 trigonal pyramids that share corners with two equivalent S(3)Th2U3 square pyramids, corners with four equivalent S(5)Th2U3 square pyramids, corners with two equivalent S(4)Th2U3 trigonal bipyramids, corners with two equivalent S(1)ThU3 trigonal pyramids, corners with four equivalent S(2)ThU3 trigonal pyramids,  an edgeedge with one S(5)Th2U3 square pyramid, edges with two equivalent S(3)Th2U3 square pyramids, edges with two equivalent S(4)Th2U3 trigonal bipyramids, and  an edgeedge with one S(2)ThU3 trigonal pyramid. In the second S site, S(2) is bonded to one U(2), two equivalent U(1), and one Th(1) atom to form distorted SThU3 trigonal pyramids that share corners with two equivalent S(3)Th2U3 square pyramids, corners with four equivalent S(5)Th2U3 square pyramids, corners with two equivalent S(4)Th2U3 trigonal bipyramids, corners with two equivalent S(2)ThU3 trigonal pyramids, corners with four equivalent S(1)ThU3 trigonal pyramids,  an edgeedge with one S(5)Th2U3 square pyramid, edges with two equivalent S(3)Th2U3 square pyramids, edges with two equivalent S(4)Th2U3 trigonal bipyramids, and  an edgeedge with one S(1)ThU3 trigonal pyramid. In the third S site, S(3) is bonded to one U(1), two equivalent U(2), and two equivalent Th(1) atoms to form distorted STh2U3 square pyramids that share corners with four equivalent S(3)Th2U3 square pyramids, corners with four equivalent S(5)Th2U3 square pyramids,  a cornercorner with one S(4)Th2U3 trigonal bipyramid, corners with two equivalent S(1)ThU3 trigonal pyramids, corners with two equivalent S(2)ThU3 trigonal pyramids,  an edgeedge with one S(5)Th2U3 square pyramid, edges with four equivalent S(4)Th2U3 trigonal bipyramids, edges with two equivalent S(1)ThU3 trigonal pyramids, edges with two equivalent S(2)ThU3 trigonal pyramids, and  a faceface with one S(5)Th2U3 square pyramid. In the fourth S site, S(4) is bonded to one U(1), two equivalent U(2), and two equivalent Th(1) atoms to form distorted STh2U3 trigonal bipyramids that share  a cornercorner with one S(3)Th2U3 square pyramid, corners with five equivalent S(5)Th2U3 square pyramids, corners with four equivalent S(4)Th2U3 trigonal bipyramids, corners with two equivalent S(1)ThU3 trigonal pyramids, corners with two equivalent S(2)ThU3 trigonal pyramids, edges with two equivalent S(5)Th2U3 square pyramids, edges with four equivalent S(3)Th2U3 square pyramids, edges with two equivalent S(1)ThU3 trigonal pyramids, and edges with two equivalent S(2)ThU3 trigonal pyramids. In the fifth S site, S(5) is bonded to one U(1), two equivalent U(2), and two equivalent Th(1) atoms to form STh2U3 square pyramids that share corners with four equivalent S(3)Th2U3 square pyramids, corners with five equivalent S(4)Th2U3 trigonal bipyramids, corners with four equivalent S(1)ThU3 trigonal pyramids, corners with four equivalent S(2)ThU3 trigonal pyramids,  an edgeedge with one S(3)Th2U3 square pyramid, edges with two equivalent S(5)Th2U3 square pyramids, edges with two equivalent S(4)Th2U3 trigonal bipyramids,  an edgeedge with one S(1)ThU3 trigonal pyramid,  an edgeedge with one S(2)ThU3 trigonal pyramid, and  a faceface with one S(3)Th2U3 square pyramid. is represented by the CIF file [CIF]
data_ThU2S5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.417
_cell_length_b   7.955
_cell_length_c   11.823
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   697.577
_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
  Th  Th0  1  0.023  0.499  0.822  1.0
  Th  Th1  1  0.977  0.999  0.178  1.0
  Th  Th2  1  0.523  0.999  0.678  1.0
  Th  Th3  1  0.477  0.499  0.322  1.0
  U  U4  1  0.574  0.251  0.992  1.0
  U  U5  1  0.926  0.251  0.492  1.0
  U  U6  1  0.426  0.751  0.008  1.0
  U  U7  1  0.074  0.751  0.508  1.0
  U  U8  1  0.478  0.000  0.320  1.0
  U  U9  1  0.522  0.500  0.680  1.0
  U  U10  1  0.978  0.500  0.180  1.0
  U  U11  1  0.022  0.000  0.820  1.0
  S  S12  1  0.336  0.044  0.099  1.0
  S  S13  1  0.168  0.455  0.597  1.0
  S  S14  1  0.664  0.544  0.901  1.0
  S  S15  1  0.832  0.955  0.403  1.0
  S  S16  1  0.668  0.955  0.903  1.0
  S  S17  1  0.836  0.544  0.401  1.0
  S  S18  1  0.332  0.455  0.097  1.0
  S  S19  1  0.164  0.044  0.599  1.0
  S  S20  1  0.700  0.250  0.216  1.0
  S  S21  1  0.800  0.250  0.716  1.0
  S  S22  1  0.300  0.750  0.784  1.0
  S  S23  1  0.200  0.750  0.284  1.0
  S  S24  1  0.329  0.250  0.812  1.0
  S  S25  1  0.171  0.250  0.312  1.0
  S  S26  1  0.671  0.750  0.188  1.0
  S  S27  1  0.829  0.750  0.688  1.0
  S  S28  1  0.962  0.250  0.999  1.0
  S  S29  1  0.538  0.250  0.499  1.0
  S  S30  1  0.038  0.750  0.001  1.0
  S  S31  1  0.462  0.750  0.501  1.0
[/CIF]
.