The material structure described by CeSe2 crystallizes in the hexagonal P6_3/mmc space group. Ce(1) is bonded in a 11-coordinate geometry to five equivalent Se(2) and six equivalent Se(1) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a body-centered cubic geometry to six equivalent Ce(1) and two equivalent Se(1) atoms. In the second Se site, Se(2) is bonded to five equivalent Ce(1) atoms to form a mixture of corner and edge-sharing SeCe5 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_CeSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.318
_cell_length_b   5.318
_cell_length_c   5.772
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   141.360
_cell_formula_units_Z   2
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  0.333  0.667  0.250  1.0
  Ce  Ce1  1  0.667  0.333  0.750  1.0
  Se  Se2  1  0.000  0.000  0.500  1.0
  Se  Se3  1  0.000  0.000  0.000  1.0
  Se  Se4  1  0.333  0.667  0.750  1.0
  Se  Se5  1  0.667  0.333  0.250  1.0
[/CIF]
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The material structure described by CeSe2 crystallizes in the hexagonal P6_3/mmc space group. Ce(1) is bonded in a 11-coordinate geometry to five equivalent Se(2) and six equivalent Se(1) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a body-centered cubic geometry to six equivalent Ce(1) and two equivalent Se(1) atoms. In the second Se site, Se(2) is bonded to five equivalent Ce(1) atoms to form a mixture of corner and edge-sharing SeCe5 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_CeSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.318
_cell_length_b   5.318
_cell_length_c   5.772
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   141.360
_cell_formula_units_Z   2
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  0.333  0.667  0.250  1.0
  Ce  Ce1  1  0.667  0.333  0.750  1.0
  Se  Se2  1  0.000  0.000  0.500  1.0
  Se  Se3  1  0.000  0.000  0.000  1.0
  Se  Se4  1  0.333  0.667  0.750  1.0
  Se  Se5  1  0.667  0.333  0.250  1.0
[/CIF]
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