The compound described by ThSm2S5 crystallizes in the orthorhombic Pnma space group. Th(1) is bonded in a 7-coordinate geometry to one S(2), one S(3), one S(4), and four equivalent S(1) atoms. Sm(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 Sm(1) atoms to form distorted SSm2Th2 trigonal pyramids that share corners with two equivalent S(4)Sm4Th square pyramids, corners with four equivalent S(3)Sm4Th square pyramids, corners with two equivalent S(2)Sm4Th trigonal bipyramids, corners with six equivalent S(1)Sm2Th2 trigonal pyramids,  an edgeedge with one S(3)Sm4Th square pyramid, edges with two equivalent S(4)Sm4Th square pyramids, edges with two equivalent S(2)Sm4Th trigonal bipyramids, and  an edgeedge with one S(1)Sm2Th2 trigonal pyramid. In the second S site, S(2) is bonded to one Th(1) and four equivalent Sm(1) atoms to form distorted SSm4Th trigonal bipyramids that share  a cornercorner with one S(4)Sm4Th square pyramid, corners with five equivalent S(3)Sm4Th square pyramids, corners with four equivalent S(2)Sm4Th trigonal bipyramids, corners with four equivalent S(1)Sm2Th2 trigonal pyramids, edges with two equivalent S(3)Sm4Th square pyramids, edges with four equivalent S(4)Sm4Th square pyramids, and edges with four equivalent S(1)Sm2Th2 trigonal pyramids. In the third S site, S(3) is bonded to one Th(1) and four equivalent Sm(1) atoms to form SSm4Th square pyramids that share corners with four equivalent S(4)Sm4Th square pyramids, corners with five equivalent S(2)Sm4Th trigonal bipyramids, corners with eight equivalent S(1)Sm2Th2 trigonal pyramids,  an edgeedge with one S(4)Sm4Th square pyramid, edges with two equivalent S(3)Sm4Th square pyramids, edges with two equivalent S(2)Sm4Th trigonal bipyramids, edges with two equivalent S(1)Sm2Th2 trigonal pyramids, and  a faceface with one S(4)Sm4Th square pyramid. In the fourth S site, S(4) is bonded to one Th(1) and four equivalent Sm(1) atoms to form distorted SSm4Th square pyramids that share corners with four equivalent S(3)Sm4Th square pyramids, corners with four equivalent S(4)Sm4Th square pyramids,  a cornercorner with one S(2)Sm4Th trigonal bipyramid, corners with four equivalent S(1)Sm2Th2 trigonal pyramids,  an edgeedge with one S(3)Sm4Th square pyramid, edges with four equivalent S(2)Sm4Th trigonal bipyramids, edges with four equivalent S(1)Sm2Th2 trigonal pyramids, and  a faceface with one S(3)Sm4Th square pyramid. is represented by the CIF file [CIF]
data_Sm2ThS5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.533
_cell_length_b   8.171
_cell_length_c   12.032
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   740.603
_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
  Sm  Sm0  1  0.514  0.499  0.321  1.0
  Sm  Sm1  1  0.986  0.001  0.821  1.0
  Sm  Sm2  1  0.486  0.999  0.679  1.0
  Sm  Sm3  1  0.014  0.501  0.179  1.0
  Sm  Sm4  1  0.486  0.501  0.679  1.0
  Sm  Sm5  1  0.014  0.999  0.179  1.0
  Sm  Sm6  1  0.514  0.001  0.321  1.0
  Sm  Sm7  1  0.986  0.499  0.821  1.0
  Th  Th8  1  0.077  0.750  0.491  1.0
  Th  Th9  1  0.423  0.750  0.991  1.0
  Th  Th10  1  0.923  0.250  0.509  1.0
  Th  Th11  1  0.577  0.250  0.009  1.0
  S  S12  1  0.839  0.957  0.603  1.0
  S  S13  1  0.661  0.543  0.103  1.0
  S  S14  1  0.161  0.457  0.397  1.0
  S  S15  1  0.339  0.043  0.897  1.0
  S  S16  1  0.161  0.043  0.397  1.0
  S  S17  1  0.339  0.457  0.897  1.0
  S  S18  1  0.839  0.543  0.603  1.0
  S  S19  1  0.661  0.957  0.103  1.0
  S  S20  1  0.826  0.750  0.314  1.0
  S  S21  1  0.674  0.750  0.814  1.0
  S  S22  1  0.174  0.250  0.686  1.0
  S  S23  1  0.326  0.250  0.186  1.0
  S  S24  1  0.461  0.750  0.499  1.0
  S  S25  1  0.039  0.750  0.999  1.0
  S  S26  1  0.539  0.250  0.501  1.0
  S  S27  1  0.961  0.250  0.001  1.0
  S  S28  1  0.203  0.750  0.718  1.0
  S  S29  1  0.297  0.750  0.218  1.0
  S  S30  1  0.797  0.250  0.282  1.0
  S  S31  1  0.703  0.250  0.782  1.0
[/CIF]
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The compound described by ThSm2S5 crystallizes in the orthorhombic Pnma space group. Th(1) is bonded in a 7-coordinate geometry to one S(2), one S(3), one S(4), and four equivalent S(1) atoms. Sm(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 Sm(1) atoms to form distorted SSm2Th2 trigonal pyramids that share corners with two equivalent S(4)Sm4Th square pyramids, corners with four equivalent S(3)Sm4Th square pyramids, corners with two equivalent S(2)Sm4Th trigonal bipyramids, corners with six equivalent S(1)Sm2Th2 trigonal pyramids,  an edgeedge with one S(3)Sm4Th square pyramid, edges with two equivalent S(4)Sm4Th square pyramids, edges with two equivalent S(2)Sm4Th trigonal bipyramids, and  an edgeedge with one S(1)Sm2Th2 trigonal pyramid. In the second S site, S(2) is bonded to one Th(1) and four equivalent Sm(1) atoms to form distorted SSm4Th trigonal bipyramids that share  a cornercorner with one S(4)Sm4Th square pyramid, corners with five equivalent S(3)Sm4Th square pyramids, corners with four equivalent S(2)Sm4Th trigonal bipyramids, corners with four equivalent S(1)Sm2Th2 trigonal pyramids, edges with two equivalent S(3)Sm4Th square pyramids, edges with four equivalent S(4)Sm4Th square pyramids, and edges with four equivalent S(1)Sm2Th2 trigonal pyramids. In the third S site, S(3) is bonded to one Th(1) and four equivalent Sm(1) atoms to form SSm4Th square pyramids that share corners with four equivalent S(4)Sm4Th square pyramids, corners with five equivalent S(2)Sm4Th trigonal bipyramids, corners with eight equivalent S(1)Sm2Th2 trigonal pyramids,  an edgeedge with one S(4)Sm4Th square pyramid, edges with two equivalent S(3)Sm4Th square pyramids, edges with two equivalent S(2)Sm4Th trigonal bipyramids, edges with two equivalent S(1)Sm2Th2 trigonal pyramids, and  a faceface with one S(4)Sm4Th square pyramid. In the fourth S site, S(4) is bonded to one Th(1) and four equivalent Sm(1) atoms to form distorted SSm4Th square pyramids that share corners with four equivalent S(3)Sm4Th square pyramids, corners with four equivalent S(4)Sm4Th square pyramids,  a cornercorner with one S(2)Sm4Th trigonal bipyramid, corners with four equivalent S(1)Sm2Th2 trigonal pyramids,  an edgeedge with one S(3)Sm4Th square pyramid, edges with four equivalent S(2)Sm4Th trigonal bipyramids, edges with four equivalent S(1)Sm2Th2 trigonal pyramids, and  a faceface with one S(3)Sm4Th square pyramid. is represented by the CIF file [CIF]
data_Sm2ThS5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.533
_cell_length_b   8.171
_cell_length_c   12.032
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   740.603
_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
  Sm  Sm0  1  0.514  0.499  0.321  1.0
  Sm  Sm1  1  0.986  0.001  0.821  1.0
  Sm  Sm2  1  0.486  0.999  0.679  1.0
  Sm  Sm3  1  0.014  0.501  0.179  1.0
  Sm  Sm4  1  0.486  0.501  0.679  1.0
  Sm  Sm5  1  0.014  0.999  0.179  1.0
  Sm  Sm6  1  0.514  0.001  0.321  1.0
  Sm  Sm7  1  0.986  0.499  0.821  1.0
  Th  Th8  1  0.077  0.750  0.491  1.0
  Th  Th9  1  0.423  0.750  0.991  1.0
  Th  Th10  1  0.923  0.250  0.509  1.0
  Th  Th11  1  0.577  0.250  0.009  1.0
  S  S12  1  0.839  0.957  0.603  1.0
  S  S13  1  0.661  0.543  0.103  1.0
  S  S14  1  0.161  0.457  0.397  1.0
  S  S15  1  0.339  0.043  0.897  1.0
  S  S16  1  0.161  0.043  0.397  1.0
  S  S17  1  0.339  0.457  0.897  1.0
  S  S18  1  0.839  0.543  0.603  1.0
  S  S19  1  0.661  0.957  0.103  1.0
  S  S20  1  0.826  0.750  0.314  1.0
  S  S21  1  0.674  0.750  0.814  1.0
  S  S22  1  0.174  0.250  0.686  1.0
  S  S23  1  0.326  0.250  0.186  1.0
  S  S24  1  0.461  0.750  0.499  1.0
  S  S25  1  0.039  0.750  0.999  1.0
  S  S26  1  0.539  0.250  0.501  1.0
  S  S27  1  0.961  0.250  0.001  1.0
  S  S28  1  0.203  0.750  0.718  1.0
  S  S29  1  0.297  0.750  0.218  1.0
  S  S30  1  0.797  0.250  0.282  1.0
  S  S31  1  0.703  0.250  0.782  1.0
[/CIF]
.