The material structure described by Ce2Se3 crystallizes in the tetragonal I-42d space group. There are three inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to two equivalent Se(2), two equivalent Se(3), and four equivalent Se(1) atoms to form a mixture of distorted edge, face, and corner-sharing CeSe8 hexagonal bipyramids. In the second Ce site, Ce(2) is bonded to two equivalent Se(1), two equivalent Se(3), and four equivalent Se(2) atoms to form a mixture of distorted edge, face, and corner-sharing CeSe8 hexagonal bipyramids. In the third Ce site, Ce(3) is bonded to two equivalent Se(2), three equivalent Se(1), and three equivalent Se(3) atoms to form a mixture of distorted edge, face, and corner-sharing CeSe8 hexagonal bipyramids. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded to one Ce(2), two equivalent Ce(1), and three equivalent Ce(3) atoms to form distorted SeCe6 octahedra that share corners with three equivalent Se(1)Ce6 octahedra, corners with five equivalent Se(2)Ce5 square pyramids, corners with seven equivalent Se(3)Ce5 square pyramids, edges with two equivalent Se(1)Ce6 octahedra,  an edgeedge with one Se(3)Ce5 square pyramid, edges with three equivalent Se(2)Ce5 square pyramids, faces with two equivalent Se(1)Ce6 octahedra,  a faceface with one Se(2)Ce5 square pyramid, and faces with two equivalent Se(3)Ce5 square pyramids. The corner-sharing octahedral tilt angles range from 17-50°. In the second Se site, Se(2) is bonded to one Ce(1), two equivalent Ce(2), and two equivalent Ce(3) atoms to form SeCe5 square pyramids that share corners with five equivalent Se(1)Ce6 octahedra, corners with four equivalent Se(2)Ce5 square pyramids, corners with four equivalent Se(3)Ce5 square pyramids, edges with three equivalent Se(1)Ce6 octahedra,  an edgeedge with one Se(2)Ce5 square pyramid, edges with four equivalent Se(3)Ce5 square pyramids,  a faceface with one Se(1)Ce6 octahedra, and  a faceface with one Se(2)Ce5 square pyramid. The corner-sharing octahedral tilt angles range from 21-49°. In the third Se site, Se(3) is bonded to one Ce(1), one Ce(2), and three equivalent Ce(3) atoms to form SeCe5 square pyramids that share corners with seven equivalent Se(1)Ce6 octahedra, corners with four equivalent Se(2)Ce5 square pyramids, corners with five equivalent Se(3)Ce5 square pyramids,  an edgeedge with one Se(1)Ce6 octahedra, edges with four equivalent Se(2)Ce5 square pyramids, faces with two equivalent Se(1)Ce6 octahedra, and  a faceface with one Se(3)Ce5 square pyramid. The corner-sharing octahedral tilt angles range from 13-53°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce2Se3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.761
_cell_length_b   14.761
_cell_length_c   14.761
_cell_angle_alpha   144.922
_cell_angle_beta   144.922
_cell_angle_gamma   50.450
_symmetry_Int_Tables_number   1
_cell_volume   1056.965
_cell_formula_units_Z   8
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
  Ce  Ce0  1  0.417  0.917  0.500  1.0
  Ce  Ce1  1  0.755  0.125  0.130  1.0
  Ce  Ce2  1  0.546  0.656  0.622  1.0
  Ce  Ce3  1  0.333  0.333  0.000  1.0
  Ce  Ce4  1  0.034  0.923  0.378  1.0
  Ce  Ce5  1  0.995  0.625  0.870  1.0
  Ce  Ce6  1  0.077  0.454  0.111  1.0
  Ce  Ce7  1  0.875  0.005  0.630  1.0
  Ce  Ce8  1  0.667  0.667  0.000  1.0
  Ce  Ce9  1  0.375  0.245  0.370  1.0
  Ce  Ce10  1  0.344  0.966  0.889  1.0
  Ce  Ce11  1  0.083  0.583  0.500  1.0
  Ce  Ce12  1  0.406  0.796  0.122  1.0
  Ce  Ce13  1  0.204  0.327  0.611  1.0
  Ce  Ce14  1  0.716  0.594  0.389  1.0
  Ce  Ce15  1  0.673  0.284  0.878  1.0
  Se  Se16  1  0.359  0.607  0.100  1.0
  Se  Se17  1  0.076  0.971  0.254  1.0
  Se  Se18  1  0.507  0.259  0.900  1.0
  Se  Se19  1  0.391  0.991  0.748  1.0
  Se  Se20  1  0.243  0.643  0.252  1.0
  Se  Se21  1  0.717  0.822  0.746  1.0
  Se  Se22  1  0.687  0.938  0.093  1.0
  Se  Se23  1  0.674  0.428  0.395  1.0
  Se  Se24  1  0.406  0.313  0.251  1.0
  Se  Se25  1  0.845  0.594  0.907  1.0
  Se  Se26  1  0.033  0.279  0.605  1.0
  Se  Se27  1  0.721  0.326  0.754  1.0
  Se  Se28  1  0.572  0.967  0.246  1.0
  Se  Se29  1  0.062  0.155  0.749  1.0
  Se  Se30  1  0.029  0.283  0.105  1.0
  Se  Se31  1  0.009  0.757  0.400  1.0
  Se  Se32  1  0.741  0.641  0.248  1.0
  Se  Se33  1  0.178  0.924  0.895  1.0
  Se  Se34  1  0.357  0.609  0.600  1.0
  Se  Se35  1  0.063  0.656  0.751  1.0
  Se  Se36  1  0.905  0.312  0.249  1.0
  Se  Se37  1  0.393  0.493  0.752  1.0
  Se  Se38  1  0.344  0.095  0.407  1.0
  Se  Se39  1  0.688  0.937  0.593  1.0
[/CIF]
.
The material structure described by Ce2Se3 crystallizes in the tetragonal I-42d space group. There are three inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to two equivalent Se(2), two equivalent Se(3), and four equivalent Se(1) atoms to form a mixture of distorted edge, face, and corner-sharing CeSe8 hexagonal bipyramids. In the second Ce site, Ce(2) is bonded to two equivalent Se(1), two equivalent Se(3), and four equivalent Se(2) atoms to form a mixture of distorted edge, face, and corner-sharing CeSe8 hexagonal bipyramids. In the third Ce site, Ce(3) is bonded to two equivalent Se(2), three equivalent Se(1), and three equivalent Se(3) atoms to form a mixture of distorted edge, face, and corner-sharing CeSe8 hexagonal bipyramids. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded to one Ce(2), two equivalent Ce(1), and three equivalent Ce(3) atoms to form distorted SeCe6 octahedra that share corners with three equivalent Se(1)Ce6 octahedra, corners with five equivalent Se(2)Ce5 square pyramids, corners with seven equivalent Se(3)Ce5 square pyramids, edges with two equivalent Se(1)Ce6 octahedra,  an edgeedge with one Se(3)Ce5 square pyramid, edges with three equivalent Se(2)Ce5 square pyramids, faces with two equivalent Se(1)Ce6 octahedra,  a faceface with one Se(2)Ce5 square pyramid, and faces with two equivalent Se(3)Ce5 square pyramids. The corner-sharing octahedral tilt angles range from 17-50°. In the second Se site, Se(2) is bonded to one Ce(1), two equivalent Ce(2), and two equivalent Ce(3) atoms to form SeCe5 square pyramids that share corners with five equivalent Se(1)Ce6 octahedra, corners with four equivalent Se(2)Ce5 square pyramids, corners with four equivalent Se(3)Ce5 square pyramids, edges with three equivalent Se(1)Ce6 octahedra,  an edgeedge with one Se(2)Ce5 square pyramid, edges with four equivalent Se(3)Ce5 square pyramids,  a faceface with one Se(1)Ce6 octahedra, and  a faceface with one Se(2)Ce5 square pyramid. The corner-sharing octahedral tilt angles range from 21-49°. In the third Se site, Se(3) is bonded to one Ce(1), one Ce(2), and three equivalent Ce(3) atoms to form SeCe5 square pyramids that share corners with seven equivalent Se(1)Ce6 octahedra, corners with four equivalent Se(2)Ce5 square pyramids, corners with five equivalent Se(3)Ce5 square pyramids,  an edgeedge with one Se(1)Ce6 octahedra, edges with four equivalent Se(2)Ce5 square pyramids, faces with two equivalent Se(1)Ce6 octahedra, and  a faceface with one Se(3)Ce5 square pyramid. The corner-sharing octahedral tilt angles range from 13-53°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce2Se3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.761
_cell_length_b   14.761
_cell_length_c   14.761
_cell_angle_alpha   144.922
_cell_angle_beta   144.922
_cell_angle_gamma   50.450
_symmetry_Int_Tables_number   1
_cell_volume   1056.965
_cell_formula_units_Z   8
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
  Ce  Ce0  1  0.417  0.917  0.500  1.0
  Ce  Ce1  1  0.755  0.125  0.130  1.0
  Ce  Ce2  1  0.546  0.656  0.622  1.0
  Ce  Ce3  1  0.333  0.333  0.000  1.0
  Ce  Ce4  1  0.034  0.923  0.378  1.0
  Ce  Ce5  1  0.995  0.625  0.870  1.0
  Ce  Ce6  1  0.077  0.454  0.111  1.0
  Ce  Ce7  1  0.875  0.005  0.630  1.0
  Ce  Ce8  1  0.667  0.667  0.000  1.0
  Ce  Ce9  1  0.375  0.245  0.370  1.0
  Ce  Ce10  1  0.344  0.966  0.889  1.0
  Ce  Ce11  1  0.083  0.583  0.500  1.0
  Ce  Ce12  1  0.406  0.796  0.122  1.0
  Ce  Ce13  1  0.204  0.327  0.611  1.0
  Ce  Ce14  1  0.716  0.594  0.389  1.0
  Ce  Ce15  1  0.673  0.284  0.878  1.0
  Se  Se16  1  0.359  0.607  0.100  1.0
  Se  Se17  1  0.076  0.971  0.254  1.0
  Se  Se18  1  0.507  0.259  0.900  1.0
  Se  Se19  1  0.391  0.991  0.748  1.0
  Se  Se20  1  0.243  0.643  0.252  1.0
  Se  Se21  1  0.717  0.822  0.746  1.0
  Se  Se22  1  0.687  0.938  0.093  1.0
  Se  Se23  1  0.674  0.428  0.395  1.0
  Se  Se24  1  0.406  0.313  0.251  1.0
  Se  Se25  1  0.845  0.594  0.907  1.0
  Se  Se26  1  0.033  0.279  0.605  1.0
  Se  Se27  1  0.721  0.326  0.754  1.0
  Se  Se28  1  0.572  0.967  0.246  1.0
  Se  Se29  1  0.062  0.155  0.749  1.0
  Se  Se30  1  0.029  0.283  0.105  1.0
  Se  Se31  1  0.009  0.757  0.400  1.0
  Se  Se32  1  0.741  0.641  0.248  1.0
  Se  Se33  1  0.178  0.924  0.895  1.0
  Se  Se34  1  0.357  0.609  0.600  1.0
  Se  Se35  1  0.063  0.656  0.751  1.0
  Se  Se36  1  0.905  0.312  0.249  1.0
  Se  Se37  1  0.393  0.493  0.752  1.0
  Se  Se38  1  0.344  0.095  0.407  1.0
  Se  Se39  1  0.688  0.937  0.593  1.0
[/CIF]
.