The compound described by CeSe2 crystallizes in the tetragonal I4_122 space group. Ce(1) is bonded to one Se(1), one Se(2), one Se(3), and one Se(4) atom to form corner-sharing CeSe4 tetrahedra. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded in a linear 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. 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 Crystallographic Information File (CIF) [CIF]
data_CeSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.650
_cell_length_b   9.650
_cell_length_c   19.905
_cell_angle_alpha   104.028
_cell_angle_beta   104.028
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1741.339
_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  0.310  0.432  0.120  1.0
  Ce  Ce1  1  0.810  0.688  0.120  1.0
  Ce  Ce2  1  0.440  0.318  0.380  1.0
  Ce  Ce3  1  0.940  0.062  0.380  1.0
  Ce  Ce4  1  0.568  0.690  0.880  1.0
  Ce  Ce5  1  0.312  0.190  0.880  1.0
  Ce  Ce6  1  0.682  0.560  0.620  1.0
  Ce  Ce7  1  0.938  0.060  0.620  1.0
  Se  Se8  1  0.414  0.375  0.250  1.0
  Se  Se9  1  0.836  0.875  0.250  1.0
  Se  Se10  1  0.625  0.586  0.750  1.0
  Se  Se11  1  0.125  0.164  0.750  1.0
  Se  Se12  1  0.552  0.552  0.105  1.0
  Se  Se13  1  0.698  0.198  0.395  1.0
  Se  Se14  1  0.448  0.448  0.895  1.0
  Se  Se15  1  0.802  0.302  0.605  1.0
  Se  Se16  1  0.069  0.569  0.137  1.0
  Se  Se17  1  0.181  0.181  0.363  1.0
  Se  Se18  1  0.431  0.931  0.863  1.0
  Se  Se19  1  0.819  0.819  0.637  1.0
  Se  Se20  1  0.784  0.784  0.000  1.0
  Se  Se21  1  0.216  0.216  0.000  1.0
  Se  Se22  1  0.034  0.966  0.500  1.0
  Se  Se23  1  0.466  0.534  0.500  1.0
[/CIF]
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The compound described by CeSe2 crystallizes in the tetragonal I4_122 space group. Ce(1) is bonded to one Se(1), one Se(2), one Se(3), and one Se(4) atom to form corner-sharing CeSe4 tetrahedra. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded in a linear 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. 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 Crystallographic Information File (CIF) [CIF]
data_CeSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.650
_cell_length_b   9.650
_cell_length_c   19.905
_cell_angle_alpha   104.028
_cell_angle_beta   104.028
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1741.339
_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  0.310  0.432  0.120  1.0
  Ce  Ce1  1  0.810  0.688  0.120  1.0
  Ce  Ce2  1  0.440  0.318  0.380  1.0
  Ce  Ce3  1  0.940  0.062  0.380  1.0
  Ce  Ce4  1  0.568  0.690  0.880  1.0
  Ce  Ce5  1  0.312  0.190  0.880  1.0
  Ce  Ce6  1  0.682  0.560  0.620  1.0
  Ce  Ce7  1  0.938  0.060  0.620  1.0
  Se  Se8  1  0.414  0.375  0.250  1.0
  Se  Se9  1  0.836  0.875  0.250  1.0
  Se  Se10  1  0.625  0.586  0.750  1.0
  Se  Se11  1  0.125  0.164  0.750  1.0
  Se  Se12  1  0.552  0.552  0.105  1.0
  Se  Se13  1  0.698  0.198  0.395  1.0
  Se  Se14  1  0.448  0.448  0.895  1.0
  Se  Se15  1  0.802  0.302  0.605  1.0
  Se  Se16  1  0.069  0.569  0.137  1.0
  Se  Se17  1  0.181  0.181  0.363  1.0
  Se  Se18  1  0.431  0.931  0.863  1.0
  Se  Se19  1  0.819  0.819  0.637  1.0
  Se  Se20  1  0.784  0.784  0.000  1.0
  Se  Se21  1  0.216  0.216  0.000  1.0
  Se  Se22  1  0.034  0.966  0.500  1.0
  Se  Se23  1  0.466  0.534  0.500  1.0
[/CIF]
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