The material structure described by ThGeI6 is Upper Bainite-derived structured and crystallizes in the trigonal P-31c space group. Th(1) is bonded to six equivalent I(1) atoms to form ThI6 octahedra that share corners with six equivalent Ge(1)I6 octahedra. The corner-sharing octahedral tilt angles are 48°. Ge(1) is bonded to six equivalent I(1) atoms to form GeI6 octahedra that share corners with six equivalent Th(1)I6 octahedra. The corner-sharing octahedral tilt angles are 48°. I(1) is bonded in a bent 120 degrees geometry to one Th(1) and one Ge(1) atom. is represented by the CIF file [CIF]
data_ThGeI6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.579
_cell_length_b   7.579
_cell_length_c   13.997
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   696.195
_cell_formula_units_Z   2
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  0.000  0.000  0.500  1.0
  Th  Th1  1  0.000  0.000  0.000  1.0
  Ge  Ge2  1  0.667  0.333  0.750  1.0
  Ge  Ge3  1  0.333  0.667  0.250  1.0
  I  I4  1  0.667  0.003  0.626  1.0
  I  I5  1  0.333  0.997  0.374  1.0
  I  I6  1  0.997  0.664  0.626  1.0
  I  I7  1  0.667  0.664  0.874  1.0
  I  I8  1  0.003  0.336  0.374  1.0
  I  I9  1  0.333  0.336  0.126  1.0
  I  I10  1  0.336  0.333  0.626  1.0
  I  I11  1  0.997  0.333  0.874  1.0
  I  I12  1  0.664  0.667  0.374  1.0
  I  I13  1  0.003  0.667  0.126  1.0
  I  I14  1  0.336  0.003  0.874  1.0
  I  I15  1  0.664  0.997  0.126  1.0
[/CIF]
.
The material structure described by ThGeI6 is Upper Bainite-derived structured and crystallizes in the trigonal P-31c space group. Th(1) is bonded to six equivalent I(1) atoms to form ThI6 octahedra that share corners with six equivalent Ge(1)I6 octahedra. The corner-sharing octahedral tilt angles are 48°. Ge(1) is bonded to six equivalent I(1) atoms to form GeI6 octahedra that share corners with six equivalent Th(1)I6 octahedra. The corner-sharing octahedral tilt angles are 48°. I(1) is bonded in a bent 120 degrees geometry to one Th(1) and one Ge(1) atom. is represented by the CIF file [CIF]
data_ThGeI6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.579
_cell_length_b   7.579
_cell_length_c   13.997
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   696.195
_cell_formula_units_Z   2
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  0.000  0.000  0.500  1.0
  Th  Th1  1  0.000  0.000  0.000  1.0
  Ge  Ge2  1  0.667  0.333  0.750  1.0
  Ge  Ge3  1  0.333  0.667  0.250  1.0
  I  I4  1  0.667  0.003  0.626  1.0
  I  I5  1  0.333  0.997  0.374  1.0
  I  I6  1  0.997  0.664  0.626  1.0
  I  I7  1  0.667  0.664  0.874  1.0
  I  I8  1  0.003  0.336  0.374  1.0
  I  I9  1  0.333  0.336  0.126  1.0
  I  I10  1  0.336  0.333  0.626  1.0
  I  I11  1  0.997  0.333  0.874  1.0
  I  I12  1  0.664  0.667  0.374  1.0
  I  I13  1  0.003  0.667  0.126  1.0
  I  I14  1  0.336  0.003  0.874  1.0
  I  I15  1  0.664  0.997  0.126  1.0
[/CIF]
.