The structure described by CeSe2 is Baddeleyite-like structured and crystallizes in the orthorhombic Pbca space group. Ce(1) is bonded to three equivalent Se(1) and four equivalent Se(2) atoms to form a mixture of distorted corner and edge-sharing CeSe7 pentagonal bipyramids. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal planar geometry to three equivalent Ce(1) atoms. In the second Se site, Se(2) is bonded to four equivalent Ce(1) atoms to form a mixture of corner and edge-sharing SeCe4 tetrahedra. is represented by the CIF file [CIF]
data_CeSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.879
_cell_length_b   7.222
_cell_length_c   13.719
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   681.464
_cell_formula_units_Z   8
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  0.759  0.952  0.388  1.0
  Ce  Ce1  1  0.241  0.548  0.888  1.0
  Ce  Ce2  1  0.741  0.452  0.612  1.0
  Ce  Ce3  1  0.259  0.048  0.112  1.0
  Ce  Ce4  1  0.241  0.048  0.612  1.0
  Ce  Ce5  1  0.759  0.452  0.112  1.0
  Ce  Ce6  1  0.259  0.548  0.388  1.0
  Ce  Ce7  1  0.741  0.952  0.888  1.0
  Se  Se8  1  0.627  0.624  0.289  1.0
  Se  Se9  1  0.373  0.876  0.789  1.0
  Se  Se10  1  0.873  0.124  0.711  1.0
  Se  Se11  1  0.127  0.376  0.211  1.0
  Se  Se12  1  0.373  0.376  0.711  1.0
  Se  Se13  1  0.627  0.124  0.211  1.0
  Se  Se14  1  0.127  0.876  0.289  1.0
  Se  Se15  1  0.873  0.624  0.789  1.0
  Se  Se16  1  1.000  0.259  0.472  1.0
  Se  Se17  1  0.000  0.241  0.972  1.0
  Se  Se18  1  0.500  0.759  0.528  1.0
  Se  Se19  1  0.500  0.741  0.028  1.0
  Se  Se20  1  0.000  0.741  0.528  1.0
  Se  Se21  1  1.000  0.759  0.028  1.0
  Se  Se22  1  0.500  0.241  0.472  1.0
  Se  Se23  1  0.500  0.259  0.972  1.0
[/CIF]
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The structure described by CeSe2 is Baddeleyite-like structured and crystallizes in the orthorhombic Pbca space group. Ce(1) is bonded to three equivalent Se(1) and four equivalent Se(2) atoms to form a mixture of distorted corner and edge-sharing CeSe7 pentagonal bipyramids. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal planar geometry to three equivalent Ce(1) atoms. In the second Se site, Se(2) is bonded to four equivalent Ce(1) atoms to form a mixture of corner and edge-sharing SeCe4 tetrahedra. is represented by the CIF file [CIF]
data_CeSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.879
_cell_length_b   7.222
_cell_length_c   13.719
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   681.464
_cell_formula_units_Z   8
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  0.759  0.952  0.388  1.0
  Ce  Ce1  1  0.241  0.548  0.888  1.0
  Ce  Ce2  1  0.741  0.452  0.612  1.0
  Ce  Ce3  1  0.259  0.048  0.112  1.0
  Ce  Ce4  1  0.241  0.048  0.612  1.0
  Ce  Ce5  1  0.759  0.452  0.112  1.0
  Ce  Ce6  1  0.259  0.548  0.388  1.0
  Ce  Ce7  1  0.741  0.952  0.888  1.0
  Se  Se8  1  0.627  0.624  0.289  1.0
  Se  Se9  1  0.373  0.876  0.789  1.0
  Se  Se10  1  0.873  0.124  0.711  1.0
  Se  Se11  1  0.127  0.376  0.211  1.0
  Se  Se12  1  0.373  0.376  0.711  1.0
  Se  Se13  1  0.627  0.124  0.211  1.0
  Se  Se14  1  0.127  0.876  0.289  1.0
  Se  Se15  1  0.873  0.624  0.789  1.0
  Se  Se16  1  1.000  0.259  0.472  1.0
  Se  Se17  1  0.000  0.241  0.972  1.0
  Se  Se18  1  0.500  0.759  0.528  1.0
  Se  Se19  1  0.500  0.741  0.028  1.0
  Se  Se20  1  0.000  0.741  0.528  1.0
  Se  Se21  1  1.000  0.759  0.028  1.0
  Se  Se22  1  0.500  0.241  0.472  1.0
  Se  Se23  1  0.500  0.259  0.972  1.0
[/CIF]
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