The material structure described by CeSe2 is quartz (alpha)-like structured and crystallizes in the monoclinic C2/c space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to two equivalent Se(2) and two equivalent Se(3) atoms to form corner-sharing CeSe4 tetrahedra. In the second Ce site, Ce(2) 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 150 degrees geometry to two equivalent Ce(2) atoms. In the second Se site, Se(2) is bonded in a bent 150 degrees geometry to one Ce(1) and one Ce(2) atom. In the third Se site, Se(3) is bonded in a bent 150 degrees geometry to one Ce(1) and one Ce(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CeSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.304
_cell_length_b   12.304
_cell_length_c   14.766
_cell_angle_alpha   53.982
_cell_angle_beta   53.982
_cell_angle_gamma   39.087
_symmetry_Int_Tables_number   1
_cell_volume   1101.460
_cell_formula_units_Z   6
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  0.012  0.988  0.250  1.0
  Ce  Ce1  1  0.988  0.012  0.750  1.0
  Ce  Ce2  1  0.579  0.086  0.657  1.0
  Ce  Ce3  1  0.914  0.421  0.843  1.0
  Ce  Ce4  1  0.421  0.914  0.343  1.0
  Ce  Ce5  1  0.086  0.579  0.157  1.0
  Se  Se6  1  0.648  0.781  0.816  1.0
  Se  Se7  1  0.219  0.352  0.684  1.0
  Se  Se8  1  0.352  0.219  0.184  1.0
  Se  Se9  1  0.781  0.648  0.316  1.0
  Se  Se10  1  0.720  0.071  0.434  1.0
  Se  Se11  1  0.929  0.280  0.066  1.0
  Se  Se12  1  0.280  0.929  0.566  1.0
  Se  Se13  1  0.071  0.720  0.934  1.0
  Se  Se14  1  0.713  0.139  0.708  1.0
  Se  Se15  1  0.861  0.287  0.792  1.0
  Se  Se16  1  0.287  0.861  0.292  1.0
  Se  Se17  1  0.139  0.713  0.208  1.0
[/CIF]
.
The material structure described by CeSe2 is quartz (alpha)-like structured and crystallizes in the monoclinic C2/c space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to two equivalent Se(2) and two equivalent Se(3) atoms to form corner-sharing CeSe4 tetrahedra. In the second Ce site, Ce(2) 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 150 degrees geometry to two equivalent Ce(2) atoms. In the second Se site, Se(2) is bonded in a bent 150 degrees geometry to one Ce(1) and one Ce(2) atom. In the third Se site, Se(3) is bonded in a bent 150 degrees geometry to one Ce(1) and one Ce(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CeSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.304
_cell_length_b   12.304
_cell_length_c   14.766
_cell_angle_alpha   53.982
_cell_angle_beta   53.982
_cell_angle_gamma   39.087
_symmetry_Int_Tables_number   1
_cell_volume   1101.460
_cell_formula_units_Z   6
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  0.012  0.988  0.250  1.0
  Ce  Ce1  1  0.988  0.012  0.750  1.0
  Ce  Ce2  1  0.579  0.086  0.657  1.0
  Ce  Ce3  1  0.914  0.421  0.843  1.0
  Ce  Ce4  1  0.421  0.914  0.343  1.0
  Ce  Ce5  1  0.086  0.579  0.157  1.0
  Se  Se6  1  0.648  0.781  0.816  1.0
  Se  Se7  1  0.219  0.352  0.684  1.0
  Se  Se8  1  0.352  0.219  0.184  1.0
  Se  Se9  1  0.781  0.648  0.316  1.0
  Se  Se10  1  0.720  0.071  0.434  1.0
  Se  Se11  1  0.929  0.280  0.066  1.0
  Se  Se12  1  0.280  0.929  0.566  1.0
  Se  Se13  1  0.071  0.720  0.934  1.0
  Se  Se14  1  0.713  0.139  0.708  1.0
  Se  Se15  1  0.861  0.287  0.792  1.0
  Se  Se16  1  0.287  0.861  0.292  1.0
  Se  Se17  1  0.139  0.713  0.208  1.0
[/CIF]
.