The structure described by CeSe2 is High (Orthorhombic) Tridymite-like structured and crystallizes in the tetragonal I-4c2 space group. Ce(1) is bonded to one Se(1), one Se(3), and two equivalent Se(2) atoms to form corner-sharing CeSe4 tetrahedra. There are three 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 bent 150 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. is represented by the CIF file [CIF]
data_CeSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.052
_cell_length_b   14.052
_cell_length_c   14.052
_cell_angle_alpha   105.294
_cell_angle_beta   105.294
_cell_angle_gamma   118.194
_symmetry_Int_Tables_number   1
_cell_volume   2098.190
_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  0.207  0.918  0.000  1.0
  Ce  Ce1  1  0.918  0.206  1.000  1.0
  Ce  Ce2  1  0.707  0.706  0.288  1.0
  Ce  Ce3  1  0.418  0.418  0.712  1.0
  Ce  Ce4  1  0.794  0.793  0.712  1.0
  Ce  Ce5  1  0.082  0.082  0.288  1.0
  Ce  Ce6  1  0.582  0.293  1.000  1.0
  Ce  Ce7  1  0.294  0.582  0.000  1.0
  Se  Se8  1  0.393  0.107  0.000  1.0
  Se  Se9  1  0.107  0.393  0.000  1.0
  Se  Se10  1  0.893  0.893  0.286  1.0
  Se  Se11  1  0.607  0.607  0.714  1.0
  Se  Se12  1  0.499  0.314  0.814  1.0
  Se  Se13  1  0.500  0.685  0.186  1.0
  Se  Se14  1  0.999  0.185  0.185  1.0
  Se  Se15  1  0.000  0.814  0.815  1.0
  Se  Se16  1  0.315  0.501  0.815  1.0
  Se  Se17  1  0.686  0.500  0.185  1.0
  Se  Se18  1  0.186  0.001  0.186  1.0
  Se  Se19  1  0.815  1.000  0.814  1.0
  Se  Se20  1  0.749  0.249  0.999  1.0
  Se  Se21  1  0.251  0.751  0.001  1.0
  Se  Se22  1  0.249  0.251  0.500  1.0
  Se  Se23  1  0.751  0.749  0.500  1.0
[/CIF]
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The structure described by CeSe2 is High (Orthorhombic) Tridymite-like structured and crystallizes in the tetragonal I-4c2 space group. Ce(1) is bonded to one Se(1), one Se(3), and two equivalent Se(2) atoms to form corner-sharing CeSe4 tetrahedra. There are three 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 bent 150 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. is represented by the CIF file [CIF]
data_CeSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.052
_cell_length_b   14.052
_cell_length_c   14.052
_cell_angle_alpha   105.294
_cell_angle_beta   105.294
_cell_angle_gamma   118.194
_symmetry_Int_Tables_number   1
_cell_volume   2098.190
_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  0.207  0.918  0.000  1.0
  Ce  Ce1  1  0.918  0.206  1.000  1.0
  Ce  Ce2  1  0.707  0.706  0.288  1.0
  Ce  Ce3  1  0.418  0.418  0.712  1.0
  Ce  Ce4  1  0.794  0.793  0.712  1.0
  Ce  Ce5  1  0.082  0.082  0.288  1.0
  Ce  Ce6  1  0.582  0.293  1.000  1.0
  Ce  Ce7  1  0.294  0.582  0.000  1.0
  Se  Se8  1  0.393  0.107  0.000  1.0
  Se  Se9  1  0.107  0.393  0.000  1.0
  Se  Se10  1  0.893  0.893  0.286  1.0
  Se  Se11  1  0.607  0.607  0.714  1.0
  Se  Se12  1  0.499  0.314  0.814  1.0
  Se  Se13  1  0.500  0.685  0.186  1.0
  Se  Se14  1  0.999  0.185  0.185  1.0
  Se  Se15  1  0.000  0.814  0.815  1.0
  Se  Se16  1  0.315  0.501  0.815  1.0
  Se  Se17  1  0.686  0.500  0.185  1.0
  Se  Se18  1  0.186  0.001  0.186  1.0
  Se  Se19  1  0.815  1.000  0.814  1.0
  Se  Se20  1  0.749  0.249  0.999  1.0
  Se  Se21  1  0.251  0.751  0.001  1.0
  Se  Se22  1  0.249  0.251  0.500  1.0
  Se  Se23  1  0.751  0.749  0.500  1.0
[/CIF]
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