The material described by ThPr2S5 crystallizes in the orthorhombic Pnma space group. Th(1) is bonded to one S(2), one S(3), one S(4), and four equivalent S(1) atoms to form distorted edge-sharing ThS7 pentagonal bipyramids. Pr(1) is bonded in a 8-coordinate geometry to two equivalent S(1), two equivalent S(2), two equivalent S(3), and two equivalent S(4) atoms. There are four inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Th(1) and two equivalent Pr(1) atoms to form distorted SPr2Th2 trigonal pyramids that share corners with two equivalent S(4)Pr4Th square pyramids, corners with four equivalent S(3)Pr4Th square pyramids, corners with two equivalent S(2)Pr4Th trigonal bipyramids, corners with six equivalent S(1)Pr2Th2 trigonal pyramids,  an edgeedge with one S(3)Pr4Th square pyramid, edges with two equivalent S(4)Pr4Th square pyramids, edges with two equivalent S(2)Pr4Th trigonal bipyramids, and  an edgeedge with one S(1)Pr2Th2 trigonal pyramid. In the second S site, S(2) is bonded to one Th(1) and four equivalent Pr(1) atoms to form distorted SPr4Th trigonal bipyramids that share  a cornercorner with one S(4)Pr4Th square pyramid, corners with five equivalent S(3)Pr4Th square pyramids, corners with four equivalent S(2)Pr4Th trigonal bipyramids, corners with four equivalent S(1)Pr2Th2 trigonal pyramids, edges with two equivalent S(3)Pr4Th square pyramids, edges with four equivalent S(4)Pr4Th square pyramids, and edges with four equivalent S(1)Pr2Th2 trigonal pyramids. In the third S site, S(3) is bonded to one Th(1) and four equivalent Pr(1) atoms to form SPr4Th square pyramids that share corners with four equivalent S(4)Pr4Th square pyramids, corners with five equivalent S(2)Pr4Th trigonal bipyramids, corners with eight equivalent S(1)Pr2Th2 trigonal pyramids,  an edgeedge with one S(4)Pr4Th square pyramid, edges with two equivalent S(3)Pr4Th square pyramids, edges with two equivalent S(2)Pr4Th trigonal bipyramids, edges with two equivalent S(1)Pr2Th2 trigonal pyramids, and  a faceface with one S(4)Pr4Th square pyramid. In the fourth S site, S(4) is bonded to one Th(1) and four equivalent Pr(1) atoms to form distorted SPr4Th square pyramids that share corners with four equivalent S(3)Pr4Th square pyramids, corners with four equivalent S(4)Pr4Th square pyramids,  a cornercorner with one S(2)Pr4Th trigonal bipyramid, corners with four equivalent S(1)Pr2Th2 trigonal pyramids,  an edgeedge with one S(3)Pr4Th square pyramid, edges with four equivalent S(2)Pr4Th trigonal bipyramids, edges with four equivalent S(1)Pr2Th2 trigonal pyramids, and  a faceface with one S(3)Pr4Th square pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pr2ThS5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.615
_cell_length_b   8.292
_cell_length_c   12.141
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   766.582
_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
  Pr  Pr0  1  0.520  0.500  0.322  1.0
  Pr  Pr1  1  0.980  0.000  0.822  1.0
  Pr  Pr2  1  0.480  1.000  0.678  1.0
  Pr  Pr3  1  0.020  0.500  0.178  1.0
  Pr  Pr4  1  0.480  0.500  0.678  1.0
  Pr  Pr5  1  0.020  1.000  0.178  1.0
  Pr  Pr6  1  0.520  0.000  0.322  1.0
  Pr  Pr7  1  0.980  0.500  0.822  1.0
  Th  Th8  1  0.074  0.750  0.491  1.0
  Th  Th9  1  0.426  0.750  0.991  1.0
  Th  Th10  1  0.926  0.250  0.509  1.0
  Th  Th11  1  0.574  0.250  0.009  1.0
  S  S12  1  0.838  0.958  0.599  1.0
  S  S13  1  0.662  0.542  0.099  1.0
  S  S14  1  0.162  0.458  0.401  1.0
  S  S15  1  0.338  0.042  0.901  1.0
  S  S16  1  0.162  0.042  0.401  1.0
  S  S17  1  0.338  0.458  0.901  1.0
  S  S18  1  0.838  0.542  0.599  1.0
  S  S19  1  0.662  0.958  0.099  1.0
  S  S20  1  0.829  0.750  0.313  1.0
  S  S21  1  0.671  0.750  0.813  1.0
  S  S22  1  0.171  0.250  0.687  1.0
  S  S23  1  0.329  0.250  0.187  1.0
  S  S24  1  0.457  0.750  0.499  1.0
  S  S25  1  0.043  0.750  0.999  1.0
  S  S26  1  0.543  0.250  0.501  1.0
  S  S27  1  0.957  0.250  0.001  1.0
  S  S28  1  0.198  0.750  0.716  1.0
  S  S29  1  0.302  0.750  0.216  1.0
  S  S30  1  0.802  0.250  0.284  1.0
  S  S31  1  0.698  0.250  0.784  1.0
[/CIF]
.
The material described by ThPr2S5 crystallizes in the orthorhombic Pnma space group. Th(1) is bonded to one S(2), one S(3), one S(4), and four equivalent S(1) atoms to form distorted edge-sharing ThS7 pentagonal bipyramids. Pr(1) is bonded in a 8-coordinate geometry to two equivalent S(1), two equivalent S(2), two equivalent S(3), and two equivalent S(4) atoms. There are four inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Th(1) and two equivalent Pr(1) atoms to form distorted SPr2Th2 trigonal pyramids that share corners with two equivalent S(4)Pr4Th square pyramids, corners with four equivalent S(3)Pr4Th square pyramids, corners with two equivalent S(2)Pr4Th trigonal bipyramids, corners with six equivalent S(1)Pr2Th2 trigonal pyramids,  an edgeedge with one S(3)Pr4Th square pyramid, edges with two equivalent S(4)Pr4Th square pyramids, edges with two equivalent S(2)Pr4Th trigonal bipyramids, and  an edgeedge with one S(1)Pr2Th2 trigonal pyramid. In the second S site, S(2) is bonded to one Th(1) and four equivalent Pr(1) atoms to form distorted SPr4Th trigonal bipyramids that share  a cornercorner with one S(4)Pr4Th square pyramid, corners with five equivalent S(3)Pr4Th square pyramids, corners with four equivalent S(2)Pr4Th trigonal bipyramids, corners with four equivalent S(1)Pr2Th2 trigonal pyramids, edges with two equivalent S(3)Pr4Th square pyramids, edges with four equivalent S(4)Pr4Th square pyramids, and edges with four equivalent S(1)Pr2Th2 trigonal pyramids. In the third S site, S(3) is bonded to one Th(1) and four equivalent Pr(1) atoms to form SPr4Th square pyramids that share corners with four equivalent S(4)Pr4Th square pyramids, corners with five equivalent S(2)Pr4Th trigonal bipyramids, corners with eight equivalent S(1)Pr2Th2 trigonal pyramids,  an edgeedge with one S(4)Pr4Th square pyramid, edges with two equivalent S(3)Pr4Th square pyramids, edges with two equivalent S(2)Pr4Th trigonal bipyramids, edges with two equivalent S(1)Pr2Th2 trigonal pyramids, and  a faceface with one S(4)Pr4Th square pyramid. In the fourth S site, S(4) is bonded to one Th(1) and four equivalent Pr(1) atoms to form distorted SPr4Th square pyramids that share corners with four equivalent S(3)Pr4Th square pyramids, corners with four equivalent S(4)Pr4Th square pyramids,  a cornercorner with one S(2)Pr4Th trigonal bipyramid, corners with four equivalent S(1)Pr2Th2 trigonal pyramids,  an edgeedge with one S(3)Pr4Th square pyramid, edges with four equivalent S(2)Pr4Th trigonal bipyramids, edges with four equivalent S(1)Pr2Th2 trigonal pyramids, and  a faceface with one S(3)Pr4Th square pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pr2ThS5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.615
_cell_length_b   8.292
_cell_length_c   12.141
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   766.582
_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
  Pr  Pr0  1  0.520  0.500  0.322  1.0
  Pr  Pr1  1  0.980  0.000  0.822  1.0
  Pr  Pr2  1  0.480  1.000  0.678  1.0
  Pr  Pr3  1  0.020  0.500  0.178  1.0
  Pr  Pr4  1  0.480  0.500  0.678  1.0
  Pr  Pr5  1  0.020  1.000  0.178  1.0
  Pr  Pr6  1  0.520  0.000  0.322  1.0
  Pr  Pr7  1  0.980  0.500  0.822  1.0
  Th  Th8  1  0.074  0.750  0.491  1.0
  Th  Th9  1  0.426  0.750  0.991  1.0
  Th  Th10  1  0.926  0.250  0.509  1.0
  Th  Th11  1  0.574  0.250  0.009  1.0
  S  S12  1  0.838  0.958  0.599  1.0
  S  S13  1  0.662  0.542  0.099  1.0
  S  S14  1  0.162  0.458  0.401  1.0
  S  S15  1  0.338  0.042  0.901  1.0
  S  S16  1  0.162  0.042  0.401  1.0
  S  S17  1  0.338  0.458  0.901  1.0
  S  S18  1  0.838  0.542  0.599  1.0
  S  S19  1  0.662  0.958  0.099  1.0
  S  S20  1  0.829  0.750  0.313  1.0
  S  S21  1  0.671  0.750  0.813  1.0
  S  S22  1  0.171  0.250  0.687  1.0
  S  S23  1  0.329  0.250  0.187  1.0
  S  S24  1  0.457  0.750  0.499  1.0
  S  S25  1  0.043  0.750  0.999  1.0
  S  S26  1  0.543  0.250  0.501  1.0
  S  S27  1  0.957  0.250  0.001  1.0
  S  S28  1  0.198  0.750  0.716  1.0
  S  S29  1  0.302  0.750  0.216  1.0
  S  S30  1  0.802  0.250  0.284  1.0
  S  S31  1  0.698  0.250  0.784  1.0
[/CIF]
.