The structure described by CeSe2 is quartz (alpha)-like structured and crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to one Se(1), one 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(1), one Se(2), and two equivalent Se(4) atoms to form corner-sharing CeSe4 tetrahedra. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded in a bent 150 degrees geometry to one Ce(1) and one Ce(2) atom. 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 distorted bent 150 degrees 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(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CeSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.841
_cell_length_b   13.800
_cell_length_c   14.343
_cell_angle_alpha   112.034
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1438.597
_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  0.231  0.283  0.656  1.0
  Ce  Ce1  1  0.731  0.217  0.844  1.0
  Ce  Ce2  1  0.769  0.717  0.344  1.0
  Ce  Ce3  1  0.269  0.783  0.156  1.0
  Ce  Ce4  1  0.471  0.653  0.781  1.0
  Ce  Ce5  1  0.971  0.847  0.719  1.0
  Ce  Ce6  1  0.529  0.347  0.219  1.0
  Ce  Ce7  1  0.029  0.153  0.281  1.0
  Se  Se8  1  0.374  0.462  0.649  1.0
  Se  Se9  1  0.874  0.038  0.851  1.0
  Se  Se10  1  0.626  0.538  0.351  1.0
  Se  Se11  1  0.126  0.962  0.149  1.0
  Se  Se12  1  0.096  0.167  0.473  1.0
  Se  Se13  1  0.596  0.333  0.027  1.0
  Se  Se14  1  0.904  0.833  0.527  1.0
  Se  Se15  1  0.404  0.667  0.973  1.0
  Se  Se16  1  0.476  0.170  0.707  1.0
  Se  Se17  1  0.976  0.330  0.793  1.0
  Se  Se18  1  0.524  0.830  0.293  1.0
  Se  Se19  1  0.024  0.670  0.207  1.0
  Se  Se20  1  0.308  0.807  0.740  1.0
  Se  Se21  1  0.808  0.693  0.760  1.0
  Se  Se22  1  0.692  0.193  0.260  1.0
  Se  Se23  1  0.192  0.307  0.240  1.0
[/CIF]
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The structure described by CeSe2 is quartz (alpha)-like structured and crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to one Se(1), one 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(1), one Se(2), and two equivalent Se(4) atoms to form corner-sharing CeSe4 tetrahedra. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded in a bent 150 degrees geometry to one Ce(1) and one Ce(2) atom. 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 distorted bent 150 degrees 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(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CeSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.841
_cell_length_b   13.800
_cell_length_c   14.343
_cell_angle_alpha   112.034
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1438.597
_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  0.231  0.283  0.656  1.0
  Ce  Ce1  1  0.731  0.217  0.844  1.0
  Ce  Ce2  1  0.769  0.717  0.344  1.0
  Ce  Ce3  1  0.269  0.783  0.156  1.0
  Ce  Ce4  1  0.471  0.653  0.781  1.0
  Ce  Ce5  1  0.971  0.847  0.719  1.0
  Ce  Ce6  1  0.529  0.347  0.219  1.0
  Ce  Ce7  1  0.029  0.153  0.281  1.0
  Se  Se8  1  0.374  0.462  0.649  1.0
  Se  Se9  1  0.874  0.038  0.851  1.0
  Se  Se10  1  0.626  0.538  0.351  1.0
  Se  Se11  1  0.126  0.962  0.149  1.0
  Se  Se12  1  0.096  0.167  0.473  1.0
  Se  Se13  1  0.596  0.333  0.027  1.0
  Se  Se14  1  0.904  0.833  0.527  1.0
  Se  Se15  1  0.404  0.667  0.973  1.0
  Se  Se16  1  0.476  0.170  0.707  1.0
  Se  Se17  1  0.976  0.330  0.793  1.0
  Se  Se18  1  0.524  0.830  0.293  1.0
  Se  Se19  1  0.024  0.670  0.207  1.0
  Se  Se20  1  0.308  0.807  0.740  1.0
  Se  Se21  1  0.808  0.693  0.760  1.0
  Se  Se22  1  0.692  0.193  0.260  1.0
  Se  Se23  1  0.192  0.307  0.240  1.0
[/CIF]
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