The crystal structure described by CeSe2 is quartz (alpha)-like structured and crystallizes in the tetragonal I-4 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 bent 150 degrees 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. is represented by the CIF card [CIF]
data_CeSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.025
_cell_length_b   11.025
_cell_length_c   11.025
_cell_angle_alpha   97.580
_cell_angle_beta   97.580
_cell_angle_gamma   137.407
_symmetry_Int_Tables_number   1
_cell_volume   845.081
_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  0.152  0.149  0.348  1.0
  Ce  Ce1  1  0.800  0.804  0.652  1.0
  Ce  Ce2  1  0.196  0.848  0.997  1.0
  Ce  Ce3  1  0.851  0.200  0.003  1.0
  Se  Se4  1  0.896  0.984  0.475  1.0
  Se  Se5  1  0.509  0.421  0.525  1.0
  Se  Se6  1  0.579  0.104  0.088  1.0
  Se  Se7  1  0.016  0.491  0.912  1.0
  Se  Se8  1  0.119  0.309  0.203  1.0
  Se  Se9  1  0.106  0.917  0.797  1.0
  Se  Se10  1  0.083  0.881  0.189  1.0
  Se  Se11  1  0.691  0.894  0.811  1.0
[/CIF]
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The crystal structure described by CeSe2 is quartz (alpha)-like structured and crystallizes in the tetragonal I-4 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 bent 150 degrees 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. is represented by the CIF card [CIF]
data_CeSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.025
_cell_length_b   11.025
_cell_length_c   11.025
_cell_angle_alpha   97.580
_cell_angle_beta   97.580
_cell_angle_gamma   137.407
_symmetry_Int_Tables_number   1
_cell_volume   845.081
_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  0.152  0.149  0.348  1.0
  Ce  Ce1  1  0.800  0.804  0.652  1.0
  Ce  Ce2  1  0.196  0.848  0.997  1.0
  Ce  Ce3  1  0.851  0.200  0.003  1.0
  Se  Se4  1  0.896  0.984  0.475  1.0
  Se  Se5  1  0.509  0.421  0.525  1.0
  Se  Se6  1  0.579  0.104  0.088  1.0
  Se  Se7  1  0.016  0.491  0.912  1.0
  Se  Se8  1  0.119  0.309  0.203  1.0
  Se  Se9  1  0.106  0.917  0.797  1.0
  Se  Se10  1  0.083  0.881  0.189  1.0
  Se  Se11  1  0.691  0.894  0.811  1.0
[/CIF]
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