The material described by UThCeS5 crystallizes in the orthorhombic Pna2_1 space group. U(1) is bonded to one S(1), one S(4), one S(5), two equivalent S(2), and two equivalent S(3) atoms to form distorted edge-sharing US7 pentagonal bipyramids. Th(1) is bonded in a 8-coordinate geometry to one S(2), one S(3), two equivalent S(1), two equivalent S(4), and two equivalent S(5) atoms. Ce(1) is bonded in a 8-coordinate geometry to one S(2), one S(3), two equivalent S(1), 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(1), two equivalent Th(1), and two equivalent Ce(1) atoms to form SCe2Th2U square pyramids that share corners with four equivalent S(4)Ce2Th2U square pyramids, corners with four equivalent S(2)CeThU2 tetrahedra, corners with five equivalent S(5)Ce2Th2U trigonal bipyramids, corners with four equivalent S(3)CeThU2 trigonal pyramids,  an edgeedge with one S(4)Ce2Th2U square pyramid, edges with two equivalent S(1)Ce2Th2U square pyramids,  an edgeedge with one S(2)CeThU2 tetrahedra, edges with two equivalent S(5)Ce2Th2U trigonal bipyramids,  an edgeedge with one S(3)CeThU2 trigonal pyramid, and  a faceface with one S(4)Ce2Th2U square pyramid. In the second S site, S(2) is bonded to two equivalent U(1), one Th(1), and one Ce(1) atom to form distorted SCeThU2 tetrahedra that share corners with two equivalent S(4)Ce2Th2U square pyramids, corners with four equivalent S(1)Ce2Th2U square pyramids, corners with two equivalent S(2)CeThU2 tetrahedra, corners with two equivalent S(5)Ce2Th2U trigonal bipyramids, corners with four equivalent S(3)CeThU2 trigonal pyramids,  an edgeedge with one S(1)Ce2Th2U square pyramid, edges with two equivalent S(4)Ce2Th2U square pyramids, edges with two equivalent S(5)Ce2Th2U trigonal bipyramids, and  an edgeedge with one S(3)CeThU2 trigonal pyramid. In the third S site, S(3) is bonded to two equivalent U(1), one Th(1), and one Ce(1) atom to form distorted SCeThU2 trigonal pyramids that share corners with two equivalent S(4)Ce2Th2U square pyramids, corners with four equivalent S(1)Ce2Th2U square pyramids, corners with four equivalent S(2)CeThU2 tetrahedra, corners with two equivalent S(5)Ce2Th2U trigonal bipyramids, corners with two equivalent S(3)CeThU2 trigonal pyramids,  an edgeedge with one S(1)Ce2Th2U square pyramid, edges with two equivalent S(4)Ce2Th2U square pyramids,  an edgeedge with one S(2)CeThU2 tetrahedra, and edges with two equivalent S(5)Ce2Th2U trigonal bipyramids. In the fourth S site, S(4) is bonded to one U(1), two equivalent Th(1), and two equivalent Ce(1) atoms to form SCe2Th2U square pyramids that share corners with four equivalent S(1)Ce2Th2U square pyramids, corners with four equivalent S(4)Ce2Th2U square pyramids, corners with two equivalent S(2)CeThU2 tetrahedra,  a cornercorner with one S(5)Ce2Th2U trigonal bipyramid, corners with two equivalent S(3)CeThU2 trigonal pyramids,  an edgeedge with one S(1)Ce2Th2U square pyramid, edges with two equivalent S(2)CeThU2 tetrahedra, edges with four equivalent S(5)Ce2Th2U trigonal bipyramids, edges with two equivalent S(3)CeThU2 trigonal pyramids, and  a faceface with one S(1)Ce2Th2U square pyramid. In the fifth S site, S(5) is bonded to one U(1), two equivalent Th(1), and two equivalent Ce(1) atoms to form distorted SCe2Th2U trigonal bipyramids that share  a cornercorner with one S(4)Ce2Th2U square pyramid, corners with five equivalent S(1)Ce2Th2U square pyramids, corners with two equivalent S(2)CeThU2 tetrahedra, corners with four equivalent S(5)Ce2Th2U trigonal bipyramids, corners with two equivalent S(3)CeThU2 trigonal pyramids, edges with two equivalent S(1)Ce2Th2U square pyramids, edges with four equivalent S(4)Ce2Th2U square pyramids, edges with two equivalent S(2)CeThU2 tetrahedra, and edges with two equivalent S(3)CeThU2 trigonal pyramids. is represented by the CIF file [CIF]
data_CeThUS5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.435
_cell_length_b   8.035
_cell_length_c   11.912
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   711.568
_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
  Ce  Ce0  1  0.031  0.499  0.822  1.0
  Ce  Ce1  1  0.969  0.999  0.178  1.0
  Ce  Ce2  1  0.531  0.999  0.678  1.0
  Ce  Ce3  1  0.469  0.499  0.322  1.0
  Th  Th4  1  0.475  0.001  0.321  1.0
  Th  Th5  1  0.525  0.501  0.679  1.0
  Th  Th6  1  0.975  0.501  0.179  1.0
  Th  Th7  1  0.025  0.001  0.821  1.0
  U  U8  1  0.571  0.250  0.994  1.0
  U  U9  1  0.929  0.250  0.494  1.0
  U  U10  1  0.429  0.750  0.006  1.0
  U  U11  1  0.071  0.750  0.506  1.0
  S  S12  1  0.959  0.251  1.000  1.0
  S  S13  1  0.541  0.251  0.500  1.0
  S  S14  1  0.041  0.751  0.000  1.0
  S  S15  1  0.459  0.751  0.500  1.0
  S  S16  1  0.337  0.041  0.099  1.0
  S  S17  1  0.169  0.458  0.595  1.0
  S  S18  1  0.663  0.541  0.901  1.0
  S  S19  1  0.831  0.958  0.405  1.0
  S  S20  1  0.669  0.958  0.905  1.0
  S  S21  1  0.837  0.541  0.401  1.0
  S  S22  1  0.331  0.458  0.095  1.0
  S  S23  1  0.163  0.041  0.599  1.0
  S  S24  1  0.695  0.251  0.216  1.0
  S  S25  1  0.805  0.251  0.716  1.0
  S  S26  1  0.305  0.751  0.784  1.0
  S  S27  1  0.195  0.751  0.284  1.0
  S  S28  1  0.334  0.249  0.811  1.0
  S  S29  1  0.166  0.249  0.311  1.0
  S  S30  1  0.666  0.749  0.189  1.0
  S  S31  1  0.834  0.749  0.689  1.0
[/CIF]
.
The material described by UThCeS5 crystallizes in the orthorhombic Pna2_1 space group. U(1) is bonded to one S(1), one S(4), one S(5), two equivalent S(2), and two equivalent S(3) atoms to form distorted edge-sharing US7 pentagonal bipyramids. Th(1) is bonded in a 8-coordinate geometry to one S(2), one S(3), two equivalent S(1), two equivalent S(4), and two equivalent S(5) atoms. Ce(1) is bonded in a 8-coordinate geometry to one S(2), one S(3), two equivalent S(1), 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(1), two equivalent Th(1), and two equivalent Ce(1) atoms to form SCe2Th2U square pyramids that share corners with four equivalent S(4)Ce2Th2U square pyramids, corners with four equivalent S(2)CeThU2 tetrahedra, corners with five equivalent S(5)Ce2Th2U trigonal bipyramids, corners with four equivalent S(3)CeThU2 trigonal pyramids,  an edgeedge with one S(4)Ce2Th2U square pyramid, edges with two equivalent S(1)Ce2Th2U square pyramids,  an edgeedge with one S(2)CeThU2 tetrahedra, edges with two equivalent S(5)Ce2Th2U trigonal bipyramids,  an edgeedge with one S(3)CeThU2 trigonal pyramid, and  a faceface with one S(4)Ce2Th2U square pyramid. In the second S site, S(2) is bonded to two equivalent U(1), one Th(1), and one Ce(1) atom to form distorted SCeThU2 tetrahedra that share corners with two equivalent S(4)Ce2Th2U square pyramids, corners with four equivalent S(1)Ce2Th2U square pyramids, corners with two equivalent S(2)CeThU2 tetrahedra, corners with two equivalent S(5)Ce2Th2U trigonal bipyramids, corners with four equivalent S(3)CeThU2 trigonal pyramids,  an edgeedge with one S(1)Ce2Th2U square pyramid, edges with two equivalent S(4)Ce2Th2U square pyramids, edges with two equivalent S(5)Ce2Th2U trigonal bipyramids, and  an edgeedge with one S(3)CeThU2 trigonal pyramid. In the third S site, S(3) is bonded to two equivalent U(1), one Th(1), and one Ce(1) atom to form distorted SCeThU2 trigonal pyramids that share corners with two equivalent S(4)Ce2Th2U square pyramids, corners with four equivalent S(1)Ce2Th2U square pyramids, corners with four equivalent S(2)CeThU2 tetrahedra, corners with two equivalent S(5)Ce2Th2U trigonal bipyramids, corners with two equivalent S(3)CeThU2 trigonal pyramids,  an edgeedge with one S(1)Ce2Th2U square pyramid, edges with two equivalent S(4)Ce2Th2U square pyramids,  an edgeedge with one S(2)CeThU2 tetrahedra, and edges with two equivalent S(5)Ce2Th2U trigonal bipyramids. In the fourth S site, S(4) is bonded to one U(1), two equivalent Th(1), and two equivalent Ce(1) atoms to form SCe2Th2U square pyramids that share corners with four equivalent S(1)Ce2Th2U square pyramids, corners with four equivalent S(4)Ce2Th2U square pyramids, corners with two equivalent S(2)CeThU2 tetrahedra,  a cornercorner with one S(5)Ce2Th2U trigonal bipyramid, corners with two equivalent S(3)CeThU2 trigonal pyramids,  an edgeedge with one S(1)Ce2Th2U square pyramid, edges with two equivalent S(2)CeThU2 tetrahedra, edges with four equivalent S(5)Ce2Th2U trigonal bipyramids, edges with two equivalent S(3)CeThU2 trigonal pyramids, and  a faceface with one S(1)Ce2Th2U square pyramid. In the fifth S site, S(5) is bonded to one U(1), two equivalent Th(1), and two equivalent Ce(1) atoms to form distorted SCe2Th2U trigonal bipyramids that share  a cornercorner with one S(4)Ce2Th2U square pyramid, corners with five equivalent S(1)Ce2Th2U square pyramids, corners with two equivalent S(2)CeThU2 tetrahedra, corners with four equivalent S(5)Ce2Th2U trigonal bipyramids, corners with two equivalent S(3)CeThU2 trigonal pyramids, edges with two equivalent S(1)Ce2Th2U square pyramids, edges with four equivalent S(4)Ce2Th2U square pyramids, edges with two equivalent S(2)CeThU2 tetrahedra, and edges with two equivalent S(3)CeThU2 trigonal pyramids. is represented by the CIF file [CIF]
data_CeThUS5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.435
_cell_length_b   8.035
_cell_length_c   11.912
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   711.568
_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
  Ce  Ce0  1  0.031  0.499  0.822  1.0
  Ce  Ce1  1  0.969  0.999  0.178  1.0
  Ce  Ce2  1  0.531  0.999  0.678  1.0
  Ce  Ce3  1  0.469  0.499  0.322  1.0
  Th  Th4  1  0.475  0.001  0.321  1.0
  Th  Th5  1  0.525  0.501  0.679  1.0
  Th  Th6  1  0.975  0.501  0.179  1.0
  Th  Th7  1  0.025  0.001  0.821  1.0
  U  U8  1  0.571  0.250  0.994  1.0
  U  U9  1  0.929  0.250  0.494  1.0
  U  U10  1  0.429  0.750  0.006  1.0
  U  U11  1  0.071  0.750  0.506  1.0
  S  S12  1  0.959  0.251  1.000  1.0
  S  S13  1  0.541  0.251  0.500  1.0
  S  S14  1  0.041  0.751  0.000  1.0
  S  S15  1  0.459  0.751  0.500  1.0
  S  S16  1  0.337  0.041  0.099  1.0
  S  S17  1  0.169  0.458  0.595  1.0
  S  S18  1  0.663  0.541  0.901  1.0
  S  S19  1  0.831  0.958  0.405  1.0
  S  S20  1  0.669  0.958  0.905  1.0
  S  S21  1  0.837  0.541  0.401  1.0
  S  S22  1  0.331  0.458  0.095  1.0
  S  S23  1  0.163  0.041  0.599  1.0
  S  S24  1  0.695  0.251  0.216  1.0
  S  S25  1  0.805  0.251  0.716  1.0
  S  S26  1  0.305  0.751  0.784  1.0
  S  S27  1  0.195  0.751  0.284  1.0
  S  S28  1  0.334  0.249  0.811  1.0
  S  S29  1  0.166  0.249  0.311  1.0
  S  S30  1  0.666  0.749  0.189  1.0
  S  S31  1  0.834  0.749  0.689  1.0
[/CIF]
.