The compound described by Th7Te12 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 8-coordinate geometry to one Te(1), one Te(2), two equivalent Te(4), and four equivalent Te(3) atoms. In the second Th site, Th(2) is bonded in a 8-coordinate geometry to one Te(3), one Te(4), two equivalent Te(1), and four equivalent Te(2) atoms. In the third Th site, Th(3) is bonded in a 9-coordinate geometry to three equivalent Te(1) and six equivalent Te(4) atoms. There are four inequivalent Te sites. In the first Te site, Te(1) is bonded to one Th(1), one Th(3), and two equivalent Th(2) atoms to form TeTh4 tetrahedra that share corners with four equivalent Te(1)Th4 tetrahedra, corners with two equivalent Te(3)Th5 trigonal bipyramids, corners with two equivalent Te(4)Th5 trigonal bipyramids, corners with five equivalent Te(2)Th5 trigonal bipyramids, edges with two equivalent Te(2)Th5 trigonal bipyramids, edges with two equivalent Te(3)Th5 trigonal bipyramids, and edges with four equivalent Te(4)Th5 trigonal bipyramids. In the second Te site, Te(2) is bonded to one Th(1) and four equivalent Th(2) atoms to form distorted TeTh5 trigonal bipyramids that share corners with five equivalent Te(1)Th4 tetrahedra, corners with two equivalent Te(4)Th5 trigonal bipyramids, corners with four equivalent Te(2)Th5 trigonal bipyramids, corners with four equivalent Te(3)Th5 trigonal bipyramids, edges with two equivalent Te(1)Th4 tetrahedra, edges with two equivalent Te(3)Th5 trigonal bipyramids, edges with two equivalent Te(4)Th5 trigonal bipyramids, and edges with four equivalent Te(2)Th5 trigonal bipyramids. In the third Te site, Te(3) is bonded to one Th(2) and four equivalent Th(1) atoms to form distorted TeTh5 trigonal bipyramids that share corners with two equivalent Te(1)Th4 tetrahedra, corners with four equivalent Te(2)Th5 trigonal bipyramids, corners with four equivalent Te(3)Th5 trigonal bipyramids, corners with five equivalent Te(4)Th5 trigonal bipyramids, edges with two equivalent Te(1)Th4 tetrahedra, edges with two equivalent Te(2)Th5 trigonal bipyramids, edges with two equivalent Te(4)Th5 trigonal bipyramids, and edges with four equivalent Te(3)Th5 trigonal bipyramids. In the fourth Te site, Te(4) is bonded to one Th(2), two equivalent Th(1), and two equivalent Th(3) atoms to form distorted TeTh5 trigonal bipyramids that share corners with two equivalent Te(1)Th4 tetrahedra, corners with two equivalent Te(2)Th5 trigonal bipyramids, corners with four equivalent Te(4)Th5 trigonal bipyramids, corners with five equivalent Te(3)Th5 trigonal bipyramids, edges with four equivalent Te(1)Th4 tetrahedra, edges with two equivalent Te(2)Th5 trigonal bipyramids, edges with two equivalent Te(3)Th5 trigonal bipyramids, and edges with four equivalent Te(4)Th5 trigonal bipyramids. is represented by the CIF file [CIF]
data_Th7Te12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.567
_cell_length_b   12.566
_cell_length_c   4.388
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   600.068
_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  0.723  0.162  0.000  1.0
  Th  Th1  1  0.838  0.561  0.000  1.0
  Th  Th2  1  0.439  0.277  0.000  1.0
  Th  Th3  1  0.549  0.712  0.500  1.0
  Th  Th4  1  0.288  0.837  0.500  1.0
  Th  Th5  1  0.163  0.451  0.500  1.0
  Th  Th6  1  0.000  0.000  0.000  1.0
  Te  Te7  1  0.744  0.753  0.000  1.0
  Te  Te8  1  0.247  0.991  0.000  1.0
  Te  Te9  1  0.009  0.256  0.000  1.0
  Te  Te10  1  0.492  0.867  0.000  1.0
  Te  Te11  1  0.133  0.625  0.000  1.0
  Te  Te12  1  0.375  0.508  0.000  1.0
  Te  Te13  1  0.865  0.387  0.500  1.0
  Te  Te14  1  0.218  0.214  0.500  1.0
  Te  Te15  1  0.996  0.782  0.500  1.0
  Te  Te16  1  0.786  0.004  0.500  1.0
  Te  Te17  1  0.522  0.135  0.500  1.0
  Te  Te18  1  0.613  0.478  0.500  1.0
[/CIF]
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The compound described by Th7Te12 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 8-coordinate geometry to one Te(1), one Te(2), two equivalent Te(4), and four equivalent Te(3) atoms. In the second Th site, Th(2) is bonded in a 8-coordinate geometry to one Te(3), one Te(4), two equivalent Te(1), and four equivalent Te(2) atoms. In the third Th site, Th(3) is bonded in a 9-coordinate geometry to three equivalent Te(1) and six equivalent Te(4) atoms. There are four inequivalent Te sites. In the first Te site, Te(1) is bonded to one Th(1), one Th(3), and two equivalent Th(2) atoms to form TeTh4 tetrahedra that share corners with four equivalent Te(1)Th4 tetrahedra, corners with two equivalent Te(3)Th5 trigonal bipyramids, corners with two equivalent Te(4)Th5 trigonal bipyramids, corners with five equivalent Te(2)Th5 trigonal bipyramids, edges with two equivalent Te(2)Th5 trigonal bipyramids, edges with two equivalent Te(3)Th5 trigonal bipyramids, and edges with four equivalent Te(4)Th5 trigonal bipyramids. In the second Te site, Te(2) is bonded to one Th(1) and four equivalent Th(2) atoms to form distorted TeTh5 trigonal bipyramids that share corners with five equivalent Te(1)Th4 tetrahedra, corners with two equivalent Te(4)Th5 trigonal bipyramids, corners with four equivalent Te(2)Th5 trigonal bipyramids, corners with four equivalent Te(3)Th5 trigonal bipyramids, edges with two equivalent Te(1)Th4 tetrahedra, edges with two equivalent Te(3)Th5 trigonal bipyramids, edges with two equivalent Te(4)Th5 trigonal bipyramids, and edges with four equivalent Te(2)Th5 trigonal bipyramids. In the third Te site, Te(3) is bonded to one Th(2) and four equivalent Th(1) atoms to form distorted TeTh5 trigonal bipyramids that share corners with two equivalent Te(1)Th4 tetrahedra, corners with four equivalent Te(2)Th5 trigonal bipyramids, corners with four equivalent Te(3)Th5 trigonal bipyramids, corners with five equivalent Te(4)Th5 trigonal bipyramids, edges with two equivalent Te(1)Th4 tetrahedra, edges with two equivalent Te(2)Th5 trigonal bipyramids, edges with two equivalent Te(4)Th5 trigonal bipyramids, and edges with four equivalent Te(3)Th5 trigonal bipyramids. In the fourth Te site, Te(4) is bonded to one Th(2), two equivalent Th(1), and two equivalent Th(3) atoms to form distorted TeTh5 trigonal bipyramids that share corners with two equivalent Te(1)Th4 tetrahedra, corners with two equivalent Te(2)Th5 trigonal bipyramids, corners with four equivalent Te(4)Th5 trigonal bipyramids, corners with five equivalent Te(3)Th5 trigonal bipyramids, edges with four equivalent Te(1)Th4 tetrahedra, edges with two equivalent Te(2)Th5 trigonal bipyramids, edges with two equivalent Te(3)Th5 trigonal bipyramids, and edges with four equivalent Te(4)Th5 trigonal bipyramids. is represented by the CIF file [CIF]
data_Th7Te12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.567
_cell_length_b   12.566
_cell_length_c   4.388
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   600.068
_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  0.723  0.162  0.000  1.0
  Th  Th1  1  0.838  0.561  0.000  1.0
  Th  Th2  1  0.439  0.277  0.000  1.0
  Th  Th3  1  0.549  0.712  0.500  1.0
  Th  Th4  1  0.288  0.837  0.500  1.0
  Th  Th5  1  0.163  0.451  0.500  1.0
  Th  Th6  1  0.000  0.000  0.000  1.0
  Te  Te7  1  0.744  0.753  0.000  1.0
  Te  Te8  1  0.247  0.991  0.000  1.0
  Te  Te9  1  0.009  0.256  0.000  1.0
  Te  Te10  1  0.492  0.867  0.000  1.0
  Te  Te11  1  0.133  0.625  0.000  1.0
  Te  Te12  1  0.375  0.508  0.000  1.0
  Te  Te13  1  0.865  0.387  0.500  1.0
  Te  Te14  1  0.218  0.214  0.500  1.0
  Te  Te15  1  0.996  0.782  0.500  1.0
  Te  Te16  1  0.786  0.004  0.500  1.0
  Te  Te17  1  0.522  0.135  0.500  1.0
  Te  Te18  1  0.613  0.478  0.500  1.0
[/CIF]
.