The material structure described by ThAsSe is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. Th(1) is bonded in a 9-coordinate geometry to four equivalent As(1) and five equivalent Se(1) atoms. As(1) is bonded in a 8-coordinate geometry to four equivalent Th(1) and four equivalent As(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 card [CIF]
data_ThAsSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.140
_cell_length_b   4.140
_cell_length_c   8.544
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   146.449
_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  0.750  0.750  0.737  1.0
  Th  Th1  1  0.250  0.250  0.263  1.0
  As  As2  1  0.750  0.250  0.000  1.0
  As  As3  1  0.250  0.750  0.000  1.0
  Se  Se4  1  0.750  0.750  0.369  1.0
  Se  Se5  1  0.250  0.250  0.631  1.0
[/CIF]
.
The material structure described by ThAsSe is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. Th(1) is bonded in a 9-coordinate geometry to four equivalent As(1) and five equivalent Se(1) atoms. As(1) is bonded in a 8-coordinate geometry to four equivalent Th(1) and four equivalent As(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 card [CIF]
data_ThAsSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.140
_cell_length_b   4.140
_cell_length_c   8.544
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   146.449
_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  0.750  0.750  0.737  1.0
  Th  Th1  1  0.250  0.250  0.263  1.0
  As  As2  1  0.750  0.250  0.000  1.0
  As  As3  1  0.250  0.750  0.000  1.0
  Se  Se4  1  0.750  0.750  0.369  1.0
  Se  Se5  1  0.250  0.250  0.631  1.0
[/CIF]
.