The material structure described by SrTh2Se5 crystallizes in the monoclinic P2_1/c space group. Sr(1) is bonded in a 8-coordinate geometry to two equivalent Se(2), two equivalent Se(3), two equivalent Se(4), and two equivalent Se(5) atoms. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded in a 7-coordinate geometry to one Se(2), one Se(3), one Se(4), two equivalent Se(1), and two equivalent Se(5) atoms. In the second Th site, Th(2) is bonded in a 8-coordinate geometry to two equivalent Se(1), two equivalent Se(2), two equivalent Se(3), and two equivalent Se(4) atoms. There are five inequivalent Se sites. In the first Se site, Se(1) is bonded to two equivalent Th(1) and two equivalent Th(2) atoms to form distorted SeTh4 trigonal pyramids that share corners with two equivalent Se(4)Sr2Th3 square pyramids, corners with four equivalent Se(3)Sr2Th3 square pyramids, corners with two equivalent Se(2)Sr2Th3 trigonal bipyramids, corners with two equivalent Se(1)Th4 trigonal pyramids, corners with four equivalent Se(5)Sr2Th2 trigonal pyramids,  an edgeedge with one Se(3)Sr2Th3 square pyramid, edges with two equivalent Se(4)Sr2Th3 square pyramids, edges with two equivalent Se(2)Sr2Th3 trigonal bipyramids, and  an edgeedge with one Se(1)Th4 trigonal pyramid. In the second Se site, Se(2) is bonded to two equivalent Sr(1), one Th(1), and two equivalent Th(2) atoms to form distorted SeSr2Th3 trigonal bipyramids that share  a cornercorner with one Se(4)Sr2Th3 square pyramid, corners with five equivalent Se(3)Sr2Th3 square pyramids, corners with four equivalent Se(2)Sr2Th3 trigonal bipyramids, corners with two equivalent Se(5)Sr2Th2 trigonal pyramids, corners with two equivalent Se(1)Th4 trigonal pyramids, edges with two equivalent Se(3)Sr2Th3 square pyramids, edges with four equivalent Se(4)Sr2Th3 square pyramids, edges with two equivalent Se(5)Sr2Th2 trigonal pyramids, and edges with two equivalent Se(1)Th4 trigonal pyramids. In the third Se site, Se(3) is bonded to two equivalent Sr(1), one Th(1), and two equivalent Th(2) atoms to form SeSr2Th3 square pyramids that share corners with four equivalent Se(4)Sr2Th3 square pyramids, corners with five equivalent Se(2)Sr2Th3 trigonal bipyramids, corners with four equivalent Se(5)Sr2Th2 trigonal pyramids, corners with four equivalent Se(1)Th4 trigonal pyramids,  an edgeedge with one Se(4)Sr2Th3 square pyramid, edges with two equivalent Se(3)Sr2Th3 square pyramids, edges with two equivalent Se(2)Sr2Th3 trigonal bipyramids,  an edgeedge with one Se(5)Sr2Th2 trigonal pyramid,  an edgeedge with one Se(1)Th4 trigonal pyramid, and  a faceface with one Se(4)Sr2Th3 square pyramid. In the fourth Se site, Se(4) is bonded to two equivalent Sr(1), one Th(1), and two equivalent Th(2) atoms to form distorted SeSr2Th3 square pyramids that share corners with four equivalent Se(3)Sr2Th3 square pyramids, corners with four equivalent Se(4)Sr2Th3 square pyramids,  a cornercorner with one Se(2)Sr2Th3 trigonal bipyramid, corners with two equivalent Se(5)Sr2Th2 trigonal pyramids, corners with two equivalent Se(1)Th4 trigonal pyramids,  an edgeedge with one Se(3)Sr2Th3 square pyramid, edges with four equivalent Se(2)Sr2Th3 trigonal bipyramids, edges with two equivalent Se(5)Sr2Th2 trigonal pyramids, edges with two equivalent Se(1)Th4 trigonal pyramids, and  a faceface with one Se(3)Sr2Th3 square pyramid. In the fifth Se site, Se(5) is bonded to two equivalent Sr(1) and two equivalent Th(1) atoms to form distorted SeSr2Th2 trigonal pyramids that share corners with two equivalent Se(4)Sr2Th3 square pyramids, corners with four equivalent Se(3)Sr2Th3 square pyramids, corners with two equivalent Se(2)Sr2Th3 trigonal bipyramids, corners with two equivalent Se(5)Sr2Th2 trigonal pyramids, corners with four equivalent Se(1)Th4 trigonal pyramids,  an edgeedge with one Se(3)Sr2Th3 square pyramid, edges with two equivalent Se(4)Sr2Th3 square pyramids, edges with two equivalent Se(2)Sr2Th3 trigonal bipyramids, and  an edgeedge with one Se(5)Sr2Th2 trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrTh2Se5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.953
_cell_length_b   8.787
_cell_length_c   12.655
_cell_angle_alpha   90.028
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   884.392
_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
  Sr  Sr0  1  0.966  0.506  0.826  1.0
  Sr  Sr1  1  0.466  0.494  0.674  1.0
  Sr  Sr2  1  0.034  0.494  0.174  1.0
  Sr  Sr3  1  0.534  0.506  0.326  1.0
  Th  Th4  1  0.574  0.252  0.008  1.0
  Th  Th5  1  0.926  0.252  0.508  1.0
  Th  Th6  1  0.426  0.748  0.992  1.0
  Th  Th7  1  0.074  0.748  0.492  1.0
  Th  Th8  1  0.518  0.002  0.320  1.0
  Th  Th9  1  0.018  0.998  0.180  1.0
  Th  Th10  1  0.482  0.998  0.680  1.0
  Th  Th11  1  0.982  0.002  0.820  1.0
  Se  Se12  1  0.840  0.958  0.601  1.0
  Se  Se13  1  0.828  0.775  0.315  1.0
  Se  Se14  1  0.672  0.775  0.815  1.0
  Se  Se15  1  0.172  0.225  0.685  1.0
  Se  Se16  1  0.543  0.222  0.502  1.0
  Se  Se17  1  0.043  0.778  0.998  1.0
  Se  Se18  1  0.457  0.778  0.498  1.0
  Se  Se19  1  0.957  0.222  0.002  1.0
  Se  Se20  1  0.197  0.764  0.717  1.0
  Se  Se21  1  0.697  0.236  0.783  1.0
  Se  Se22  1  0.803  0.236  0.283  1.0
  Se  Se23  1  0.660  0.958  0.101  1.0
  Se  Se24  1  0.828  0.541  0.589  1.0
  Se  Se25  1  0.328  0.459  0.911  1.0
  Se  Se26  1  0.172  0.459  0.411  1.0
  Se  Se27  1  0.672  0.541  0.089  1.0
  Se  Se28  1  0.303  0.764  0.217  1.0
  Se  Se29  1  0.340  0.042  0.899  1.0
  Se  Se30  1  0.160  0.042  0.399  1.0
  Se  Se31  1  0.328  0.225  0.185  1.0
[/CIF]
.
The material structure described by SrTh2Se5 crystallizes in the monoclinic P2_1/c space group. Sr(1) is bonded in a 8-coordinate geometry to two equivalent Se(2), two equivalent Se(3), two equivalent Se(4), and two equivalent Se(5) atoms. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded in a 7-coordinate geometry to one Se(2), one Se(3), one Se(4), two equivalent Se(1), and two equivalent Se(5) atoms. In the second Th site, Th(2) is bonded in a 8-coordinate geometry to two equivalent Se(1), two equivalent Se(2), two equivalent Se(3), and two equivalent Se(4) atoms. There are five inequivalent Se sites. In the first Se site, Se(1) is bonded to two equivalent Th(1) and two equivalent Th(2) atoms to form distorted SeTh4 trigonal pyramids that share corners with two equivalent Se(4)Sr2Th3 square pyramids, corners with four equivalent Se(3)Sr2Th3 square pyramids, corners with two equivalent Se(2)Sr2Th3 trigonal bipyramids, corners with two equivalent Se(1)Th4 trigonal pyramids, corners with four equivalent Se(5)Sr2Th2 trigonal pyramids,  an edgeedge with one Se(3)Sr2Th3 square pyramid, edges with two equivalent Se(4)Sr2Th3 square pyramids, edges with two equivalent Se(2)Sr2Th3 trigonal bipyramids, and  an edgeedge with one Se(1)Th4 trigonal pyramid. In the second Se site, Se(2) is bonded to two equivalent Sr(1), one Th(1), and two equivalent Th(2) atoms to form distorted SeSr2Th3 trigonal bipyramids that share  a cornercorner with one Se(4)Sr2Th3 square pyramid, corners with five equivalent Se(3)Sr2Th3 square pyramids, corners with four equivalent Se(2)Sr2Th3 trigonal bipyramids, corners with two equivalent Se(5)Sr2Th2 trigonal pyramids, corners with two equivalent Se(1)Th4 trigonal pyramids, edges with two equivalent Se(3)Sr2Th3 square pyramids, edges with four equivalent Se(4)Sr2Th3 square pyramids, edges with two equivalent Se(5)Sr2Th2 trigonal pyramids, and edges with two equivalent Se(1)Th4 trigonal pyramids. In the third Se site, Se(3) is bonded to two equivalent Sr(1), one Th(1), and two equivalent Th(2) atoms to form SeSr2Th3 square pyramids that share corners with four equivalent Se(4)Sr2Th3 square pyramids, corners with five equivalent Se(2)Sr2Th3 trigonal bipyramids, corners with four equivalent Se(5)Sr2Th2 trigonal pyramids, corners with four equivalent Se(1)Th4 trigonal pyramids,  an edgeedge with one Se(4)Sr2Th3 square pyramid, edges with two equivalent Se(3)Sr2Th3 square pyramids, edges with two equivalent Se(2)Sr2Th3 trigonal bipyramids,  an edgeedge with one Se(5)Sr2Th2 trigonal pyramid,  an edgeedge with one Se(1)Th4 trigonal pyramid, and  a faceface with one Se(4)Sr2Th3 square pyramid. In the fourth Se site, Se(4) is bonded to two equivalent Sr(1), one Th(1), and two equivalent Th(2) atoms to form distorted SeSr2Th3 square pyramids that share corners with four equivalent Se(3)Sr2Th3 square pyramids, corners with four equivalent Se(4)Sr2Th3 square pyramids,  a cornercorner with one Se(2)Sr2Th3 trigonal bipyramid, corners with two equivalent Se(5)Sr2Th2 trigonal pyramids, corners with two equivalent Se(1)Th4 trigonal pyramids,  an edgeedge with one Se(3)Sr2Th3 square pyramid, edges with four equivalent Se(2)Sr2Th3 trigonal bipyramids, edges with two equivalent Se(5)Sr2Th2 trigonal pyramids, edges with two equivalent Se(1)Th4 trigonal pyramids, and  a faceface with one Se(3)Sr2Th3 square pyramid. In the fifth Se site, Se(5) is bonded to two equivalent Sr(1) and two equivalent Th(1) atoms to form distorted SeSr2Th2 trigonal pyramids that share corners with two equivalent Se(4)Sr2Th3 square pyramids, corners with four equivalent Se(3)Sr2Th3 square pyramids, corners with two equivalent Se(2)Sr2Th3 trigonal bipyramids, corners with two equivalent Se(5)Sr2Th2 trigonal pyramids, corners with four equivalent Se(1)Th4 trigonal pyramids,  an edgeedge with one Se(3)Sr2Th3 square pyramid, edges with two equivalent Se(4)Sr2Th3 square pyramids, edges with two equivalent Se(2)Sr2Th3 trigonal bipyramids, and  an edgeedge with one Se(5)Sr2Th2 trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrTh2Se5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.953
_cell_length_b   8.787
_cell_length_c   12.655
_cell_angle_alpha   90.028
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   884.392
_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
  Sr  Sr0  1  0.966  0.506  0.826  1.0
  Sr  Sr1  1  0.466  0.494  0.674  1.0
  Sr  Sr2  1  0.034  0.494  0.174  1.0
  Sr  Sr3  1  0.534  0.506  0.326  1.0
  Th  Th4  1  0.574  0.252  0.008  1.0
  Th  Th5  1  0.926  0.252  0.508  1.0
  Th  Th6  1  0.426  0.748  0.992  1.0
  Th  Th7  1  0.074  0.748  0.492  1.0
  Th  Th8  1  0.518  0.002  0.320  1.0
  Th  Th9  1  0.018  0.998  0.180  1.0
  Th  Th10  1  0.482  0.998  0.680  1.0
  Th  Th11  1  0.982  0.002  0.820  1.0
  Se  Se12  1  0.840  0.958  0.601  1.0
  Se  Se13  1  0.828  0.775  0.315  1.0
  Se  Se14  1  0.672  0.775  0.815  1.0
  Se  Se15  1  0.172  0.225  0.685  1.0
  Se  Se16  1  0.543  0.222  0.502  1.0
  Se  Se17  1  0.043  0.778  0.998  1.0
  Se  Se18  1  0.457  0.778  0.498  1.0
  Se  Se19  1  0.957  0.222  0.002  1.0
  Se  Se20  1  0.197  0.764  0.717  1.0
  Se  Se21  1  0.697  0.236  0.783  1.0
  Se  Se22  1  0.803  0.236  0.283  1.0
  Se  Se23  1  0.660  0.958  0.101  1.0
  Se  Se24  1  0.828  0.541  0.589  1.0
  Se  Se25  1  0.328  0.459  0.911  1.0
  Se  Se26  1  0.172  0.459  0.411  1.0
  Se  Se27  1  0.672  0.541  0.089  1.0
  Se  Se28  1  0.303  0.764  0.217  1.0
  Se  Se29  1  0.340  0.042  0.899  1.0
  Se  Se30  1  0.160  0.042  0.399  1.0
  Se  Se31  1  0.328  0.225  0.185  1.0
[/CIF]
.