The crystal structure described by CeSe2 crystallizes in the tetragonal I4/m space group. Ce(1) is bonded to two equivalent Se(2) and four equivalent Se(1) atoms to form a mixture of edge and corner-sharing CeSe6 octahedra. The corner-sharing octahedral tilt angles range from 6-22°. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted see-saw-like geometry to four equivalent Ce(1) atoms. In the second Se site, Se(2) is bonded in a linear 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   9.232
_cell_length_b   9.232
_cell_length_c   9.232
_cell_angle_alpha   95.483
_cell_angle_beta   95.483
_cell_angle_gamma   143.989
_symmetry_Int_Tables_number   1
_cell_volume   440.021
_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  0.013  0.308  0.321  1.0
  Ce  Ce1  1  0.987  0.692  0.679  1.0
  Ce  Ce2  1  0.692  0.013  0.705  1.0
  Ce  Ce3  1  0.308  0.987  0.295  1.0
  Se  Se4  1  0.149  0.507  0.655  1.0
  Se  Se5  1  0.851  0.493  0.345  1.0
  Se  Se6  1  0.493  0.149  0.642  1.0
  Se  Se7  1  0.507  0.851  0.358  1.0
  Se  Se8  1  0.169  0.154  0.323  1.0
  Se  Se9  1  0.831  0.846  0.677  1.0
  Se  Se10  1  0.846  0.169  0.015  1.0
  Se  Se11  1  0.154  0.831  0.985  1.0
[/CIF]
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The crystal structure described by CeSe2 crystallizes in the tetragonal I4/m space group. Ce(1) is bonded to two equivalent Se(2) and four equivalent Se(1) atoms to form a mixture of edge and corner-sharing CeSe6 octahedra. The corner-sharing octahedral tilt angles range from 6-22°. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted see-saw-like geometry to four equivalent Ce(1) atoms. In the second Se site, Se(2) is bonded in a linear 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   9.232
_cell_length_b   9.232
_cell_length_c   9.232
_cell_angle_alpha   95.483
_cell_angle_beta   95.483
_cell_angle_gamma   143.989
_symmetry_Int_Tables_number   1
_cell_volume   440.021
_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  0.013  0.308  0.321  1.0
  Ce  Ce1  1  0.987  0.692  0.679  1.0
  Ce  Ce2  1  0.692  0.013  0.705  1.0
  Ce  Ce3  1  0.308  0.987  0.295  1.0
  Se  Se4  1  0.149  0.507  0.655  1.0
  Se  Se5  1  0.851  0.493  0.345  1.0
  Se  Se6  1  0.493  0.149  0.642  1.0
  Se  Se7  1  0.507  0.851  0.358  1.0
  Se  Se8  1  0.169  0.154  0.323  1.0
  Se  Se9  1  0.831  0.846  0.677  1.0
  Se  Se10  1  0.846  0.169  0.015  1.0
  Se  Se11  1  0.154  0.831  0.985  1.0
[/CIF]
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