The crystal structure described by CeSe2 crystallizes in the cubic I432 space group. Ce(1) is bonded in a 4-coordinate geometry to two equivalent Se(1) and two equivalent Se(2) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a bent 120 degrees geometry to two equivalent Ce(1) atoms. In the second Se site, Se(2) is bonded in a linear geometry to two equivalent Ce(1) atoms. is represented by the CIF file [CIF]
data_CeSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.341
_cell_length_b   14.341
_cell_length_c   14.341
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   2270.571
_cell_formula_units_Z   12
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  0.276  0.138  0.638  1.0
  Ce  Ce1  1  0.862  0.724  0.362  1.0
  Ce  Ce2  1  0.862  0.138  0.500  1.0
  Ce  Ce3  1  0.500  0.638  0.362  1.0
  Ce  Ce4  1  0.362  0.500  0.638  1.0
  Ce  Ce5  1  0.638  0.362  0.500  1.0
  Ce  Ce6  1  0.500  0.862  0.138  1.0
  Ce  Ce7  1  0.638  0.276  0.138  1.0
  Ce  Ce8  1  0.362  0.862  0.724  1.0
  Ce  Ce9  1  0.724  0.362  0.862  1.0
  Ce  Ce10  1  0.138  0.500  0.862  1.0
  Ce  Ce11  1  0.138  0.638  0.276  1.0
  Se  Se12  1  0.379  0.379  0.758  1.0
  Se  Se13  1  0.000  0.621  0.379  1.0
  Se  Se14  1  0.621  0.000  0.379  1.0
  Se  Se15  1  0.621  0.621  0.242  1.0
  Se  Se16  1  0.379  0.000  0.621  1.0
  Se  Se17  1  0.000  0.379  0.621  1.0
  Se  Se18  1  0.242  0.621  0.621  1.0
  Se  Se19  1  0.621  0.242  0.621  1.0
  Se  Se20  1  0.379  0.758  0.379  1.0
  Se  Se21  1  0.758  0.379  0.379  1.0
  Se  Se22  1  0.379  0.621  0.000  1.0
  Se  Se23  1  0.621  0.379  0.000  1.0
  Se  Se24  1  0.084  0.167  0.584  1.0
  Se  Se25  1  0.084  0.916  0.500  1.0
  Se  Se26  1  0.833  0.916  0.416  1.0
  Se  Se27  1  0.584  0.500  0.416  1.0
  Se  Se28  1  0.416  0.584  0.500  1.0
  Se  Se29  1  0.500  0.416  0.584  1.0
  Se  Se30  1  0.416  0.833  0.916  1.0
  Se  Se31  1  0.584  0.084  0.167  1.0
  Se  Se32  1  0.500  0.084  0.916  1.0
  Se  Se33  1  0.916  0.500  0.084  1.0
  Se  Se34  1  0.916  0.416  0.833  1.0
  Se  Se35  1  0.167  0.584  0.084  1.0
[/CIF]
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The crystal structure described by CeSe2 crystallizes in the cubic I432 space group. Ce(1) is bonded in a 4-coordinate geometry to two equivalent Se(1) and two equivalent Se(2) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a bent 120 degrees geometry to two equivalent Ce(1) atoms. In the second Se site, Se(2) is bonded in a linear geometry to two equivalent Ce(1) atoms. is represented by the CIF file [CIF]
data_CeSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.341
_cell_length_b   14.341
_cell_length_c   14.341
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   2270.571
_cell_formula_units_Z   12
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  0.276  0.138  0.638  1.0
  Ce  Ce1  1  0.862  0.724  0.362  1.0
  Ce  Ce2  1  0.862  0.138  0.500  1.0
  Ce  Ce3  1  0.500  0.638  0.362  1.0
  Ce  Ce4  1  0.362  0.500  0.638  1.0
  Ce  Ce5  1  0.638  0.362  0.500  1.0
  Ce  Ce6  1  0.500  0.862  0.138  1.0
  Ce  Ce7  1  0.638  0.276  0.138  1.0
  Ce  Ce8  1  0.362  0.862  0.724  1.0
  Ce  Ce9  1  0.724  0.362  0.862  1.0
  Ce  Ce10  1  0.138  0.500  0.862  1.0
  Ce  Ce11  1  0.138  0.638  0.276  1.0
  Se  Se12  1  0.379  0.379  0.758  1.0
  Se  Se13  1  0.000  0.621  0.379  1.0
  Se  Se14  1  0.621  0.000  0.379  1.0
  Se  Se15  1  0.621  0.621  0.242  1.0
  Se  Se16  1  0.379  0.000  0.621  1.0
  Se  Se17  1  0.000  0.379  0.621  1.0
  Se  Se18  1  0.242  0.621  0.621  1.0
  Se  Se19  1  0.621  0.242  0.621  1.0
  Se  Se20  1  0.379  0.758  0.379  1.0
  Se  Se21  1  0.758  0.379  0.379  1.0
  Se  Se22  1  0.379  0.621  0.000  1.0
  Se  Se23  1  0.621  0.379  0.000  1.0
  Se  Se24  1  0.084  0.167  0.584  1.0
  Se  Se25  1  0.084  0.916  0.500  1.0
  Se  Se26  1  0.833  0.916  0.416  1.0
  Se  Se27  1  0.584  0.500  0.416  1.0
  Se  Se28  1  0.416  0.584  0.500  1.0
  Se  Se29  1  0.500  0.416  0.584  1.0
  Se  Se30  1  0.416  0.833  0.916  1.0
  Se  Se31  1  0.584  0.084  0.167  1.0
  Se  Se32  1  0.500  0.084  0.916  1.0
  Se  Se33  1  0.916  0.500  0.084  1.0
  Se  Se34  1  0.916  0.416  0.833  1.0
  Se  Se35  1  0.167  0.584  0.084  1.0
[/CIF]
.