The crystal structure described by CeSe2 crystallizes in the cubic I2_13 space group. Ce(1) is bonded to one Se(2), one Se(3), and two equivalent Se(1) atoms to form corner-sharing CeSe4 tetrahedra. There are three 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(3) is bonded in a bent 150 degrees geometry to two equivalent Ce(1) atoms. In the third Se site, Se(2) is bonded in a bent 120 degrees geometry to two equivalent Ce(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CeSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.344
_cell_length_b   14.344
_cell_length_c   14.344
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   2271.977
_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  0.833  0.766  0.879  1.0
  Ce  Ce1  1  0.266  0.379  0.833  1.0
  Ce  Ce2  1  0.879  0.333  0.266  1.0
  Ce  Ce3  1  0.886  0.453  0.621  1.0
  Ce  Ce4  1  0.547  0.933  0.667  1.0
  Ce  Ce5  1  0.067  0.114  0.234  1.0
  Ce  Ce6  1  0.614  0.734  0.067  1.0
  Ce  Ce7  1  0.953  0.121  0.886  1.0
  Ce  Ce8  1  0.433  0.167  0.547  1.0
  Ce  Ce9  1  0.667  0.047  0.433  1.0
  Ce  Ce10  1  0.234  0.567  0.614  1.0
  Ce  Ce11  1  0.621  0.386  0.953  1.0
  Se  Se12  1  0.886  0.895  0.783  1.0
  Se  Se13  1  0.395  0.283  0.886  1.0
  Se  Se14  1  0.783  0.386  0.395  1.0
  Se  Se15  1  0.112  0.604  0.717  1.0
  Se  Se16  1  0.396  0.009  0.614  1.0
  Se  Se17  1  0.991  0.888  0.105  1.0
  Se  Se18  1  0.388  0.605  0.991  1.0
  Se  Se19  1  0.104  0.217  0.112  1.0
  Se  Se20  1  0.509  0.114  0.396  1.0
  Se  Se21  1  0.614  0.896  0.509  1.0
  Se  Se22  1  0.105  0.491  0.388  1.0
  Se  Se23  1  0.717  0.612  0.104  1.0
  Se  Se24  1  0.606  0.356  0.750  1.0
  Se  Se25  1  0.856  0.250  0.606  1.0
  Se  Se26  1  0.750  0.106  0.856  1.0
  Se  Se27  1  0.644  0.750  0.894  1.0
  Se  Se28  1  0.250  0.394  0.644  1.0
  Se  Se29  1  0.894  0.144  0.250  1.0
  Se  Se30  1  0.813  0.563  0.750  1.0
  Se  Se31  1  0.063  0.250  0.813  1.0
  Se  Se32  1  0.750  0.313  0.063  1.0
  Se  Se33  1  0.437  0.750  0.687  1.0
  Se  Se34  1  0.250  0.187  0.437  1.0
  Se  Se35  1  0.687  0.937  0.250  1.0
[/CIF]
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The crystal structure described by CeSe2 crystallizes in the cubic I2_13 space group. Ce(1) is bonded to one Se(2), one Se(3), and two equivalent Se(1) atoms to form corner-sharing CeSe4 tetrahedra. There are three 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(3) is bonded in a bent 150 degrees geometry to two equivalent Ce(1) atoms. In the third Se site, Se(2) is bonded in a bent 120 degrees geometry to two equivalent Ce(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CeSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.344
_cell_length_b   14.344
_cell_length_c   14.344
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   2271.977
_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  0.833  0.766  0.879  1.0
  Ce  Ce1  1  0.266  0.379  0.833  1.0
  Ce  Ce2  1  0.879  0.333  0.266  1.0
  Ce  Ce3  1  0.886  0.453  0.621  1.0
  Ce  Ce4  1  0.547  0.933  0.667  1.0
  Ce  Ce5  1  0.067  0.114  0.234  1.0
  Ce  Ce6  1  0.614  0.734  0.067  1.0
  Ce  Ce7  1  0.953  0.121  0.886  1.0
  Ce  Ce8  1  0.433  0.167  0.547  1.0
  Ce  Ce9  1  0.667  0.047  0.433  1.0
  Ce  Ce10  1  0.234  0.567  0.614  1.0
  Ce  Ce11  1  0.621  0.386  0.953  1.0
  Se  Se12  1  0.886  0.895  0.783  1.0
  Se  Se13  1  0.395  0.283  0.886  1.0
  Se  Se14  1  0.783  0.386  0.395  1.0
  Se  Se15  1  0.112  0.604  0.717  1.0
  Se  Se16  1  0.396  0.009  0.614  1.0
  Se  Se17  1  0.991  0.888  0.105  1.0
  Se  Se18  1  0.388  0.605  0.991  1.0
  Se  Se19  1  0.104  0.217  0.112  1.0
  Se  Se20  1  0.509  0.114  0.396  1.0
  Se  Se21  1  0.614  0.896  0.509  1.0
  Se  Se22  1  0.105  0.491  0.388  1.0
  Se  Se23  1  0.717  0.612  0.104  1.0
  Se  Se24  1  0.606  0.356  0.750  1.0
  Se  Se25  1  0.856  0.250  0.606  1.0
  Se  Se26  1  0.750  0.106  0.856  1.0
  Se  Se27  1  0.644  0.750  0.894  1.0
  Se  Se28  1  0.250  0.394  0.644  1.0
  Se  Se29  1  0.894  0.144  0.250  1.0
  Se  Se30  1  0.813  0.563  0.750  1.0
  Se  Se31  1  0.063  0.250  0.813  1.0
  Se  Se32  1  0.750  0.313  0.063  1.0
  Se  Se33  1  0.437  0.750  0.687  1.0
  Se  Se34  1  0.250  0.187  0.437  1.0
  Se  Se35  1  0.687  0.937  0.250  1.0
[/CIF]
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