The structure described by CeSe2 is trigonal omega-like structured and crystallizes in the tetragonal I4_1/amd space group. Ce(1) is bonded to six equivalent Se(1) atoms to form a mixture of edge and corner-sharing CeSe6 octahedra. The corner-sharing octahedral tilt angles are 23°. Se(1) is bonded in a T-shaped geometry to three 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   7.887
_cell_length_b   7.887
_cell_length_c   7.887
_cell_angle_alpha   138.672
_cell_angle_beta   138.672
_cell_angle_gamma   59.876
_symmetry_Int_Tables_number   1
_cell_volume   211.796
_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  0.750  0.250  0.500  1.0
  Ce  Ce1  1  0.000  0.000  0.000  1.0
  Se  Se2  1  0.958  0.458  0.500  1.0
  Se  Se3  1  0.792  0.792  0.000  1.0
  Se  Se4  1  0.542  0.042  0.500  1.0
  Se  Se5  1  0.208  0.208  0.000  1.0
[/CIF]
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The structure described by CeSe2 is trigonal omega-like structured and crystallizes in the tetragonal I4_1/amd space group. Ce(1) is bonded to six equivalent Se(1) atoms to form a mixture of edge and corner-sharing CeSe6 octahedra. The corner-sharing octahedral tilt angles are 23°. Se(1) is bonded in a T-shaped geometry to three 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   7.887
_cell_length_b   7.887
_cell_length_c   7.887
_cell_angle_alpha   138.672
_cell_angle_beta   138.672
_cell_angle_gamma   59.876
_symmetry_Int_Tables_number   1
_cell_volume   211.796
_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  0.750  0.250  0.500  1.0
  Ce  Ce1  1  0.000  0.000  0.000  1.0
  Se  Se2  1  0.958  0.458  0.500  1.0
  Se  Se3  1  0.792  0.792  0.000  1.0
  Se  Se4  1  0.542  0.042  0.500  1.0
  Se  Se5  1  0.208  0.208  0.000  1.0
[/CIF]
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