The compound described by CeSe2 crystallizes in the tetragonal I4_122 space group. Ce(1) is bonded to two equivalent Se(1) and two equivalent Se(2) atoms to form corner-sharing CeSe4 tetrahedra. There are two 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 120 degrees geometry to two equivalent Ce(1) atoms. is represented by the CIF card [CIF]
data_CeSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.374
_cell_length_b   11.374
_cell_length_c   11.374
_cell_angle_alpha   130.670
_cell_angle_beta   130.670
_cell_angle_gamma   72.338
_symmetry_Int_Tables_number   1
_cell_volume   827.451
_cell_formula_units_Z   4
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  0.875  0.264  0.889  1.0
  Ce  Ce1  1  0.375  0.986  0.111  1.0
  Ce  Ce2  1  0.014  0.625  0.889  1.0
  Ce  Ce3  1  0.736  0.125  0.111  1.0
  Se  Se4  1  0.640  0.140  0.500  1.0
  Se  Se5  1  0.110  0.110  0.000  1.0
  Se  Se6  1  0.860  0.360  0.500  1.0
  Se  Se7  1  0.890  0.890  0.000  1.0
  Se  Se8  1  0.041  0.541  0.082  1.0
  Se  Se9  1  0.459  0.959  0.918  1.0
  Se  Se10  1  0.709  0.291  0.000  1.0
  Se  Se11  1  0.291  0.709  0.000  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 two equivalent Se(1) and two equivalent Se(2) atoms to form corner-sharing CeSe4 tetrahedra. There are two 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 120 degrees geometry to two equivalent Ce(1) atoms. is represented by the CIF card [CIF]
data_CeSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.374
_cell_length_b   11.374
_cell_length_c   11.374
_cell_angle_alpha   130.670
_cell_angle_beta   130.670
_cell_angle_gamma   72.338
_symmetry_Int_Tables_number   1
_cell_volume   827.451
_cell_formula_units_Z   4
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  0.875  0.264  0.889  1.0
  Ce  Ce1  1  0.375  0.986  0.111  1.0
  Ce  Ce2  1  0.014  0.625  0.889  1.0
  Ce  Ce3  1  0.736  0.125  0.111  1.0
  Se  Se4  1  0.640  0.140  0.500  1.0
  Se  Se5  1  0.110  0.110  0.000  1.0
  Se  Se6  1  0.860  0.360  0.500  1.0
  Se  Se7  1  0.890  0.890  0.000  1.0
  Se  Se8  1  0.041  0.541  0.082  1.0
  Se  Se9  1  0.459  0.959  0.918  1.0
  Se  Se10  1  0.709  0.291  0.000  1.0
  Se  Se11  1  0.291  0.709  0.000  1.0
[/CIF]
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