The compound described by CeSe2 is Rutile structured and crystallizes in the tetragonal P4_2/mnm space group. Ce(1) is bonded to six equivalent Se(1) atoms to form a mixture of corner and edge-sharing CeSe6 octahedra. The corner-sharing octahedral tilt angles are 50°. Se(1) is bonded in a trigonal planar geometry to three equivalent Ce(1) atoms. is represented by the CIF file [CIF]
data_CeSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.651
_cell_length_b   6.651
_cell_length_c   4.402
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   194.736
_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  0.500  0.500  0.500  1.0
  Ce  Ce1  1  0.000  0.000  0.000  1.0
  Se  Se2  1  0.806  0.194  0.500  1.0
  Se  Se3  1  0.194  0.806  0.500  1.0
  Se  Se4  1  0.306  0.306  0.000  1.0
  Se  Se5  1  0.694  0.694  0.000  1.0
[/CIF]
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The compound described by CeSe2 is Rutile structured and crystallizes in the tetragonal P4_2/mnm space group. Ce(1) is bonded to six equivalent Se(1) atoms to form a mixture of corner and edge-sharing CeSe6 octahedra. The corner-sharing octahedral tilt angles are 50°. Se(1) is bonded in a trigonal planar geometry to three equivalent Ce(1) atoms. is represented by the CIF file [CIF]
data_CeSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.651
_cell_length_b   6.651
_cell_length_c   4.402
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   194.736
_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  0.500  0.500  0.500  1.0
  Ce  Ce1  1  0.000  0.000  0.000  1.0
  Se  Se2  1  0.806  0.194  0.500  1.0
  Se  Se3  1  0.194  0.806  0.500  1.0
  Se  Se4  1  0.306  0.306  0.000  1.0
  Se  Se5  1  0.694  0.694  0.000  1.0
[/CIF]
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