The crystal structure described by CeSe2 crystallizes in the cubic P23 space group. Ce(1) is bonded to one Se(1), one Se(2), and two equivalent Se(3) atoms to form corner-sharing CeSe4 tetrahedra. There are three inequivalent Se sites. In the first Se site, Se(3) 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 bent 120 degrees geometry to two equivalent Ce(1) atoms. In the third Se site, Se(1) is bonded in a linear geometry to two equivalent Ce(1) atoms. is represented by the CIF card [CIF]
data_CeSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.775
_cell_length_b   14.775
_cell_length_c   14.775
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   3225.537
_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  0.645  0.581  0.835  1.0
  Ce  Ce1  1  0.165  0.645  0.419  1.0
  Ce  Ce2  1  0.581  0.165  0.355  1.0
  Ce  Ce3  1  0.645  0.419  0.165  1.0
  Ce  Ce4  1  0.165  0.355  0.581  1.0
  Ce  Ce5  1  0.581  0.835  0.645  1.0
  Ce  Ce6  1  0.355  0.581  0.165  1.0
  Ce  Ce7  1  0.835  0.645  0.581  1.0
  Ce  Ce8  1  0.419  0.165  0.645  1.0
  Ce  Ce9  1  0.355  0.419  0.835  1.0
  Ce  Ce10  1  0.835  0.355  0.419  1.0
  Ce  Ce11  1  0.419  0.835  0.355  1.0
  Se  Se12  1  0.665  0.500  0.000  1.0
  Se  Se13  1  0.000  0.665  0.500  1.0
  Se  Se14  1  0.500  0.000  0.335  1.0
  Se  Se15  1  0.000  0.335  0.500  1.0
  Se  Se16  1  0.500  0.000  0.665  1.0
  Se  Se17  1  0.335  0.500  0.000  1.0
  Se  Se18  1  0.500  0.500  0.754  1.0
  Se  Se19  1  0.246  0.500  0.500  1.0
  Se  Se20  1  0.500  0.246  0.500  1.0
  Se  Se21  1  0.500  0.500  0.246  1.0
  Se  Se22  1  0.500  0.754  0.500  1.0
  Se  Se23  1  0.754  0.500  0.500  1.0
  Se  Se24  1  0.580  0.752  0.810  1.0
  Se  Se25  1  0.190  0.580  0.248  1.0
  Se  Se26  1  0.752  0.190  0.420  1.0
  Se  Se27  1  0.580  0.248  0.190  1.0
  Se  Se28  1  0.190  0.420  0.752  1.0
  Se  Se29  1  0.752  0.810  0.580  1.0
  Se  Se30  1  0.420  0.752  0.190  1.0
  Se  Se31  1  0.810  0.580  0.752  1.0
  Se  Se32  1  0.248  0.190  0.580  1.0
  Se  Se33  1  0.420  0.248  0.810  1.0
  Se  Se34  1  0.810  0.420  0.248  1.0
  Se  Se35  1  0.248  0.810  0.420  1.0
[/CIF]
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The crystal structure described by CeSe2 crystallizes in the cubic P23 space group. Ce(1) is bonded to one Se(1), one Se(2), and two equivalent Se(3) atoms to form corner-sharing CeSe4 tetrahedra. There are three inequivalent Se sites. In the first Se site, Se(3) 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 bent 120 degrees geometry to two equivalent Ce(1) atoms. In the third Se site, Se(1) is bonded in a linear geometry to two equivalent Ce(1) atoms. is represented by the CIF card [CIF]
data_CeSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.775
_cell_length_b   14.775
_cell_length_c   14.775
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   3225.537
_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  0.645  0.581  0.835  1.0
  Ce  Ce1  1  0.165  0.645  0.419  1.0
  Ce  Ce2  1  0.581  0.165  0.355  1.0
  Ce  Ce3  1  0.645  0.419  0.165  1.0
  Ce  Ce4  1  0.165  0.355  0.581  1.0
  Ce  Ce5  1  0.581  0.835  0.645  1.0
  Ce  Ce6  1  0.355  0.581  0.165  1.0
  Ce  Ce7  1  0.835  0.645  0.581  1.0
  Ce  Ce8  1  0.419  0.165  0.645  1.0
  Ce  Ce9  1  0.355  0.419  0.835  1.0
  Ce  Ce10  1  0.835  0.355  0.419  1.0
  Ce  Ce11  1  0.419  0.835  0.355  1.0
  Se  Se12  1  0.665  0.500  0.000  1.0
  Se  Se13  1  0.000  0.665  0.500  1.0
  Se  Se14  1  0.500  0.000  0.335  1.0
  Se  Se15  1  0.000  0.335  0.500  1.0
  Se  Se16  1  0.500  0.000  0.665  1.0
  Se  Se17  1  0.335  0.500  0.000  1.0
  Se  Se18  1  0.500  0.500  0.754  1.0
  Se  Se19  1  0.246  0.500  0.500  1.0
  Se  Se20  1  0.500  0.246  0.500  1.0
  Se  Se21  1  0.500  0.500  0.246  1.0
  Se  Se22  1  0.500  0.754  0.500  1.0
  Se  Se23  1  0.754  0.500  0.500  1.0
  Se  Se24  1  0.580  0.752  0.810  1.0
  Se  Se25  1  0.190  0.580  0.248  1.0
  Se  Se26  1  0.752  0.190  0.420  1.0
  Se  Se27  1  0.580  0.248  0.190  1.0
  Se  Se28  1  0.190  0.420  0.752  1.0
  Se  Se29  1  0.752  0.810  0.580  1.0
  Se  Se30  1  0.420  0.752  0.190  1.0
  Se  Se31  1  0.810  0.580  0.752  1.0
  Se  Se32  1  0.248  0.190  0.580  1.0
  Se  Se33  1  0.420  0.248  0.810  1.0
  Se  Se34  1  0.810  0.420  0.248  1.0
  Se  Se35  1  0.248  0.810  0.420  1.0
[/CIF]
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