The crystal structure described by ThGeSe crystallizes in the tetragonal I4/mmm space group. Th(1) is bonded in a 9-coordinate geometry to four equivalent Ge(1) and five equivalent Se(1) atoms. Ge(1) is bonded in a distorted body-centered cubic geometry to four equivalent Th(1) and four equivalent Ge(1) atoms. Se(1) is bonded to five equivalent Th(1) atoms to form a mixture of distorted corner and edge-sharing SeTh5 trigonal bipyramids. is represented by the CIF file [CIF]
data_ThGeSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.264
_cell_length_b   9.264
_cell_length_c   9.264
_cell_angle_alpha   154.653
_cell_angle_beta   154.653
_cell_angle_gamma   36.152
_symmetry_Int_Tables_number   1
_cell_volume   145.512
_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  0.868  0.868  0.000  1.0
  Th  Th1  1  0.132  0.132  0.000  1.0
  Ge  Ge2  1  0.000  0.500  0.500  1.0
  Ge  Ge3  1  0.500  0.000  0.500  1.0
  Se  Se4  1  0.688  0.688  0.000  1.0
  Se  Se5  1  0.312  0.312  0.000  1.0
[/CIF]
.
The crystal structure described by ThGeSe crystallizes in the tetragonal I4/mmm space group. Th(1) is bonded in a 9-coordinate geometry to four equivalent Ge(1) and five equivalent Se(1) atoms. Ge(1) is bonded in a distorted body-centered cubic geometry to four equivalent Th(1) and four equivalent Ge(1) atoms. Se(1) is bonded to five equivalent Th(1) atoms to form a mixture of distorted corner and edge-sharing SeTh5 trigonal bipyramids. is represented by the CIF file [CIF]
data_ThGeSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.264
_cell_length_b   9.264
_cell_length_c   9.264
_cell_angle_alpha   154.653
_cell_angle_beta   154.653
_cell_angle_gamma   36.152
_symmetry_Int_Tables_number   1
_cell_volume   145.512
_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  0.868  0.868  0.000  1.0
  Th  Th1  1  0.132  0.132  0.000  1.0
  Ge  Ge2  1  0.000  0.500  0.500  1.0
  Ge  Ge3  1  0.500  0.000  0.500  1.0
  Se  Se4  1  0.688  0.688  0.000  1.0
  Se  Se5  1  0.312  0.312  0.000  1.0
[/CIF]
.