The compound described by CeSe2 crystallizes in the trigonal P-31c space group. Ce(1) is bonded in a distorted rectangular see-saw-like geometry to one Se(1), one Se(2), one Se(3), and one Se(4) atom. There are four 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 bent 120 degrees geometry to two equivalent Ce(1) atoms. In the third Se site, Se(3) is bonded in a linear geometry to two equivalent Ce(1) atoms. In the fourth Se site, Se(4) is bonded in a bent 120 degrees 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   7.214
_cell_length_b   19.057
_cell_length_c   19.057
_cell_angle_alpha   120.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   2268.923
_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  0.978  0.512  0.651  1.0
  Ce  Ce1  1  0.978  0.349  0.860  1.0
  Ce  Ce2  1  0.978  0.140  0.488  1.0
  Ce  Ce3  1  0.478  0.488  0.140  1.0
  Ce  Ce4  1  0.478  0.860  0.349  1.0
  Ce  Ce5  1  0.478  0.651  0.512  1.0
  Ce  Ce6  1  0.022  0.488  0.349  1.0
  Ce  Ce7  1  0.022  0.651  0.140  1.0
  Ce  Ce8  1  0.022  0.860  0.512  1.0
  Ce  Ce9  1  0.522  0.512  0.860  1.0
  Ce  Ce10  1  0.522  0.140  0.651  1.0
  Ce  Ce11  1  0.522  0.349  0.488  1.0
  Se  Se12  1  0.750  0.221  0.611  1.0
  Se  Se13  1  0.750  0.389  0.611  1.0
  Se  Se14  1  0.750  0.389  0.779  1.0
  Se  Se15  1  0.250  0.779  0.389  1.0
  Se  Se16  1  0.250  0.611  0.389  1.0
  Se  Se17  1  0.250  0.611  0.221  1.0
  Se  Se18  1  0.250  0.208  0.604  1.0
  Se  Se19  1  0.250  0.396  0.604  1.0
  Se  Se20  1  0.250  0.396  0.792  1.0
  Se  Se21  1  0.750  0.792  0.396  1.0
  Se  Se22  1  0.750  0.604  0.396  1.0
  Se  Se23  1  0.750  0.604  0.208  1.0
  Se  Se24  1  0.000  0.500  0.500  1.0
  Se  Se25  1  0.000  0.500  0.000  1.0
  Se  Se26  1  0.000  0.000  0.500  1.0
  Se  Se27  1  0.500  0.500  0.000  1.0
  Se  Se28  1  0.500  0.000  0.500  1.0
  Se  Se29  1  0.500  0.500  0.500  1.0
  Se  Se30  1  0.750  0.206  0.794  1.0
  Se  Se31  1  0.750  0.206  0.413  1.0
  Se  Se32  1  0.750  0.587  0.794  1.0
  Se  Se33  1  0.250  0.794  0.587  1.0
  Se  Se34  1  0.250  0.413  0.206  1.0
  Se  Se35  1  0.250  0.794  0.206  1.0
[/CIF]
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The compound described by CeSe2 crystallizes in the trigonal P-31c space group. Ce(1) is bonded in a distorted rectangular see-saw-like geometry to one Se(1), one Se(2), one Se(3), and one Se(4) atom. There are four 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 bent 120 degrees geometry to two equivalent Ce(1) atoms. In the third Se site, Se(3) is bonded in a linear geometry to two equivalent Ce(1) atoms. In the fourth Se site, Se(4) is bonded in a bent 120 degrees 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   7.214
_cell_length_b   19.057
_cell_length_c   19.057
_cell_angle_alpha   120.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   2268.923
_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  0.978  0.512  0.651  1.0
  Ce  Ce1  1  0.978  0.349  0.860  1.0
  Ce  Ce2  1  0.978  0.140  0.488  1.0
  Ce  Ce3  1  0.478  0.488  0.140  1.0
  Ce  Ce4  1  0.478  0.860  0.349  1.0
  Ce  Ce5  1  0.478  0.651  0.512  1.0
  Ce  Ce6  1  0.022  0.488  0.349  1.0
  Ce  Ce7  1  0.022  0.651  0.140  1.0
  Ce  Ce8  1  0.022  0.860  0.512  1.0
  Ce  Ce9  1  0.522  0.512  0.860  1.0
  Ce  Ce10  1  0.522  0.140  0.651  1.0
  Ce  Ce11  1  0.522  0.349  0.488  1.0
  Se  Se12  1  0.750  0.221  0.611  1.0
  Se  Se13  1  0.750  0.389  0.611  1.0
  Se  Se14  1  0.750  0.389  0.779  1.0
  Se  Se15  1  0.250  0.779  0.389  1.0
  Se  Se16  1  0.250  0.611  0.389  1.0
  Se  Se17  1  0.250  0.611  0.221  1.0
  Se  Se18  1  0.250  0.208  0.604  1.0
  Se  Se19  1  0.250  0.396  0.604  1.0
  Se  Se20  1  0.250  0.396  0.792  1.0
  Se  Se21  1  0.750  0.792  0.396  1.0
  Se  Se22  1  0.750  0.604  0.396  1.0
  Se  Se23  1  0.750  0.604  0.208  1.0
  Se  Se24  1  0.000  0.500  0.500  1.0
  Se  Se25  1  0.000  0.500  0.000  1.0
  Se  Se26  1  0.000  0.000  0.500  1.0
  Se  Se27  1  0.500  0.500  0.000  1.0
  Se  Se28  1  0.500  0.000  0.500  1.0
  Se  Se29  1  0.500  0.500  0.500  1.0
  Se  Se30  1  0.750  0.206  0.794  1.0
  Se  Se31  1  0.750  0.206  0.413  1.0
  Se  Se32  1  0.750  0.587  0.794  1.0
  Se  Se33  1  0.250  0.794  0.587  1.0
  Se  Se34  1  0.250  0.413  0.206  1.0
  Se  Se35  1  0.250  0.794  0.206  1.0
[/CIF]
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