The structure described by Th7S12 crystallizes in the hexagonal P-6 space group. There are three inequivalent Th sites. In the first Th site, Th(1) is bonded in a 9-coordinate geometry to three equivalent S(3) and six equivalent S(4) atoms. In the second Th site, Th(2) is bonded in a 8-coordinate geometry to one S(1), one S(3), two equivalent S(4), and four equivalent S(2) atoms. In the third Th site, Th(3) is bonded in a 8-coordinate geometry to one S(2), one S(4), two equivalent S(3), and four equivalent S(1) atoms. There are four inequivalent S sites. In the first S site, S(1) is bonded to one Th(2) and four equivalent Th(3) atoms to form distorted STh5 trigonal bipyramids that share corners with five equivalent S(3)Th4 tetrahedra, corners with two equivalent S(4)Th5 trigonal bipyramids, corners with four equivalent S(1)Th5 trigonal bipyramids, corners with four equivalent S(2)Th5 trigonal bipyramids, edges with two equivalent S(3)Th4 tetrahedra, edges with two equivalent S(2)Th5 trigonal bipyramids, edges with two equivalent S(4)Th5 trigonal bipyramids, and edges with four equivalent S(1)Th5 trigonal bipyramids. In the second S site, S(2) is bonded to one Th(3) and four equivalent Th(2) atoms to form distorted STh5 trigonal bipyramids that share corners with two equivalent S(3)Th4 tetrahedra, corners with four equivalent S(1)Th5 trigonal bipyramids, corners with four equivalent S(2)Th5 trigonal bipyramids, corners with five equivalent S(4)Th5 trigonal bipyramids, edges with two equivalent S(3)Th4 tetrahedra, edges with two equivalent S(1)Th5 trigonal bipyramids, edges with two equivalent S(4)Th5 trigonal bipyramids, and edges with four equivalent S(2)Th5 trigonal bipyramids. In the third S site, S(3) is bonded to one Th(1), one Th(2), and two equivalent Th(3) atoms to form STh4 tetrahedra that share corners with four equivalent S(3)Th4 tetrahedra, corners with two equivalent S(2)Th5 trigonal bipyramids, corners with two equivalent S(4)Th5 trigonal bipyramids, corners with five equivalent S(1)Th5 trigonal bipyramids, edges with two equivalent S(1)Th5 trigonal bipyramids, edges with two equivalent S(2)Th5 trigonal bipyramids, and edges with four equivalent S(4)Th5 trigonal bipyramids. In the fourth S site, S(4) is bonded to one Th(3), two equivalent Th(1), and two equivalent Th(2) atoms to form distorted STh5 trigonal bipyramids that share corners with two equivalent S(3)Th4 tetrahedra, corners with two equivalent S(1)Th5 trigonal bipyramids, corners with four equivalent S(4)Th5 trigonal bipyramids, corners with five equivalent S(2)Th5 trigonal bipyramids, edges with four equivalent S(3)Th4 tetrahedra, edges with two equivalent S(1)Th5 trigonal bipyramids, edges with two equivalent S(2)Th5 trigonal bipyramids, and edges with four equivalent S(4)Th5 trigonal bipyramids. is represented by the CIF file [CIF]
data_Th7S12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.010
_cell_length_b   11.151
_cell_length_c   11.151
_cell_angle_alpha   120.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   431.788
_cell_formula_units_Z   1
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  0.750  0.000  0.000  1.0
  Th  Th1  1  0.750  0.433  0.282  1.0
  Th  Th2  1  0.750  0.718  0.151  1.0
  Th  Th3  1  0.750  0.849  0.567  1.0
  Th  Th4  1  0.250  0.559  0.712  1.0
  Th  Th5  1  0.250  0.288  0.847  1.0
  Th  Th6  1  0.250  0.153  0.441  1.0
  S  S7  1  0.750  0.139  0.627  1.0
  S  S8  1  0.750  0.373  0.512  1.0
  S  S9  1  0.750  0.488  0.861  1.0
  S  S10  1  0.250  0.860  0.383  1.0
  S  S11  1  0.250  0.617  0.477  1.0
  S  S12  1  0.250  0.523  0.140  1.0
  S  S13  1  0.750  0.249  0.995  1.0
  S  S14  1  0.750  0.005  0.254  1.0
  S  S15  1  0.750  0.746  0.751  1.0
  S  S16  1  0.250  0.791  0.005  1.0
  S  S17  1  0.250  0.995  0.785  1.0
  S  S18  1  0.250  0.215  0.209  1.0
[/CIF]
.
The structure described by Th7S12 crystallizes in the hexagonal P-6 space group. There are three inequivalent Th sites. In the first Th site, Th(1) is bonded in a 9-coordinate geometry to three equivalent S(3) and six equivalent S(4) atoms. In the second Th site, Th(2) is bonded in a 8-coordinate geometry to one S(1), one S(3), two equivalent S(4), and four equivalent S(2) atoms. In the third Th site, Th(3) is bonded in a 8-coordinate geometry to one S(2), one S(4), two equivalent S(3), and four equivalent S(1) atoms. There are four inequivalent S sites. In the first S site, S(1) is bonded to one Th(2) and four equivalent Th(3) atoms to form distorted STh5 trigonal bipyramids that share corners with five equivalent S(3)Th4 tetrahedra, corners with two equivalent S(4)Th5 trigonal bipyramids, corners with four equivalent S(1)Th5 trigonal bipyramids, corners with four equivalent S(2)Th5 trigonal bipyramids, edges with two equivalent S(3)Th4 tetrahedra, edges with two equivalent S(2)Th5 trigonal bipyramids, edges with two equivalent S(4)Th5 trigonal bipyramids, and edges with four equivalent S(1)Th5 trigonal bipyramids. In the second S site, S(2) is bonded to one Th(3) and four equivalent Th(2) atoms to form distorted STh5 trigonal bipyramids that share corners with two equivalent S(3)Th4 tetrahedra, corners with four equivalent S(1)Th5 trigonal bipyramids, corners with four equivalent S(2)Th5 trigonal bipyramids, corners with five equivalent S(4)Th5 trigonal bipyramids, edges with two equivalent S(3)Th4 tetrahedra, edges with two equivalent S(1)Th5 trigonal bipyramids, edges with two equivalent S(4)Th5 trigonal bipyramids, and edges with four equivalent S(2)Th5 trigonal bipyramids. In the third S site, S(3) is bonded to one Th(1), one Th(2), and two equivalent Th(3) atoms to form STh4 tetrahedra that share corners with four equivalent S(3)Th4 tetrahedra, corners with two equivalent S(2)Th5 trigonal bipyramids, corners with two equivalent S(4)Th5 trigonal bipyramids, corners with five equivalent S(1)Th5 trigonal bipyramids, edges with two equivalent S(1)Th5 trigonal bipyramids, edges with two equivalent S(2)Th5 trigonal bipyramids, and edges with four equivalent S(4)Th5 trigonal bipyramids. In the fourth S site, S(4) is bonded to one Th(3), two equivalent Th(1), and two equivalent Th(2) atoms to form distorted STh5 trigonal bipyramids that share corners with two equivalent S(3)Th4 tetrahedra, corners with two equivalent S(1)Th5 trigonal bipyramids, corners with four equivalent S(4)Th5 trigonal bipyramids, corners with five equivalent S(2)Th5 trigonal bipyramids, edges with four equivalent S(3)Th4 tetrahedra, edges with two equivalent S(1)Th5 trigonal bipyramids, edges with two equivalent S(2)Th5 trigonal bipyramids, and edges with four equivalent S(4)Th5 trigonal bipyramids. is represented by the CIF file [CIF]
data_Th7S12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.010
_cell_length_b   11.151
_cell_length_c   11.151
_cell_angle_alpha   120.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   431.788
_cell_formula_units_Z   1
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  0.750  0.000  0.000  1.0
  Th  Th1  1  0.750  0.433  0.282  1.0
  Th  Th2  1  0.750  0.718  0.151  1.0
  Th  Th3  1  0.750  0.849  0.567  1.0
  Th  Th4  1  0.250  0.559  0.712  1.0
  Th  Th5  1  0.250  0.288  0.847  1.0
  Th  Th6  1  0.250  0.153  0.441  1.0
  S  S7  1  0.750  0.139  0.627  1.0
  S  S8  1  0.750  0.373  0.512  1.0
  S  S9  1  0.750  0.488  0.861  1.0
  S  S10  1  0.250  0.860  0.383  1.0
  S  S11  1  0.250  0.617  0.477  1.0
  S  S12  1  0.250  0.523  0.140  1.0
  S  S13  1  0.750  0.249  0.995  1.0
  S  S14  1  0.750  0.005  0.254  1.0
  S  S15  1  0.750  0.746  0.751  1.0
  S  S16  1  0.250  0.791  0.005  1.0
  S  S17  1  0.250  0.995  0.785  1.0
  S  S18  1  0.250  0.215  0.209  1.0
[/CIF]
.