The structure described by CeSe2 is Baddeleyite-like structured and crystallizes in the orthorhombic Pca2_1 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(2) is bonded to four equivalent Ce(1) atoms to form a mixture of corner and edge-sharing SeCe4 tetrahedra. In the second Se site, Se(1) is bonded in a trigonal planar geometry to three equivalent Ce(1) atoms. is represented by the CIF card [CIF]
data_CeSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.883
_cell_length_b   6.915
_cell_length_c   7.162
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   340.886
_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  0.277  0.747  0.453  1.0
  Ce  Ce1  1  0.723  0.247  0.547  1.0
  Ce  Ce2  1  0.277  0.247  0.047  1.0
  Ce  Ce3  1  0.723  0.747  0.953  1.0
  Se  Se4  1  0.066  0.895  0.136  1.0
  Se  Se5  1  0.934  0.395  0.864  1.0
  Se  Se6  1  0.066  0.395  0.364  1.0
  Se  Se7  1  0.934  0.895  0.636  1.0
  Se  Se8  1  0.553  0.002  0.253  1.0
  Se  Se9  1  0.447  0.502  0.747  1.0
  Se  Se10  1  0.553  0.502  0.247  1.0
  Se  Se11  1  0.447  0.002  0.753  1.0
[/CIF]
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The structure described by CeSe2 is Baddeleyite-like structured and crystallizes in the orthorhombic Pca2_1 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(2) is bonded to four equivalent Ce(1) atoms to form a mixture of corner and edge-sharing SeCe4 tetrahedra. In the second Se site, Se(1) is bonded in a trigonal planar geometry to three equivalent Ce(1) atoms. is represented by the CIF card [CIF]
data_CeSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.883
_cell_length_b   6.915
_cell_length_c   7.162
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   340.886
_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  0.277  0.747  0.453  1.0
  Ce  Ce1  1  0.723  0.247  0.547  1.0
  Ce  Ce2  1  0.277  0.247  0.047  1.0
  Ce  Ce3  1  0.723  0.747  0.953  1.0
  Se  Se4  1  0.066  0.895  0.136  1.0
  Se  Se5  1  0.934  0.395  0.864  1.0
  Se  Se6  1  0.066  0.395  0.364  1.0
  Se  Se7  1  0.934  0.895  0.636  1.0
  Se  Se8  1  0.553  0.002  0.253  1.0
  Se  Se9  1  0.447  0.502  0.747  1.0
  Se  Se10  1  0.553  0.502  0.247  1.0
  Se  Se11  1  0.447  0.002  0.753  1.0
[/CIF]
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