The compound described by CeSe2 crystallizes in the monoclinic C2 space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to one Se(2), one Se(3), one Se(4), and one Se(5) atom to form corner-sharing CeSe4 tetrahedra. In the second Ce site, Ce(2) is bonded to one Se(1), one Se(3), one Se(4), and one Se(5) atom to form corner-sharing CeSe4 tetrahedra. There are five inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Ce(2) atoms. In the second Se site, Se(2) is bonded in a bent 150 degrees geometry to two equivalent Ce(1) atoms. In the third Se site, Se(3) is bonded in a bent 150 degrees geometry to one Ce(1) and one Ce(2) atom. In the fourth Se site, Se(4) is bonded in a bent 120 degrees geometry to one Ce(1) and one Ce(2) atom. In the fifth Se site, Se(5) is bonded in a bent 120 degrees geometry to one Ce(1) and one Ce(2) atom. is represented by the CIF file [CIF]
data_CeSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.483
_cell_length_b   8.483
_cell_length_c   11.304
_cell_angle_alpha   82.023
_cell_angle_beta   82.023
_cell_angle_gamma   94.683
_symmetry_Int_Tables_number   1
_cell_volume   793.585
_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  0.989  0.990  0.236  1.0
  Ce  Ce1  1  0.010  0.011  0.764  1.0
  Ce  Ce2  1  0.562  0.818  0.578  1.0
  Ce  Ce3  1  0.182  0.438  0.422  1.0
  Se  Se4  1  0.456  0.544  0.500  1.0
  Se  Se5  1  0.949  0.051  0.000  1.0
  Se  Se6  1  0.061  0.684  0.293  1.0
  Se  Se7  1  0.316  0.939  0.707  1.0
  Se  Se8  1  0.709  0.021  0.378  1.0
  Se  Se9  1  0.979  0.291  0.622  1.0
  Se  Se10  1  0.796  0.778  0.719  1.0
  Se  Se11  1  0.222  0.204  0.281  1.0
[/CIF]
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The compound described by CeSe2 crystallizes in the monoclinic C2 space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to one Se(2), one Se(3), one Se(4), and one Se(5) atom to form corner-sharing CeSe4 tetrahedra. In the second Ce site, Ce(2) is bonded to one Se(1), one Se(3), one Se(4), and one Se(5) atom to form corner-sharing CeSe4 tetrahedra. There are five inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Ce(2) atoms. In the second Se site, Se(2) is bonded in a bent 150 degrees geometry to two equivalent Ce(1) atoms. In the third Se site, Se(3) is bonded in a bent 150 degrees geometry to one Ce(1) and one Ce(2) atom. In the fourth Se site, Se(4) is bonded in a bent 120 degrees geometry to one Ce(1) and one Ce(2) atom. In the fifth Se site, Se(5) is bonded in a bent 120 degrees geometry to one Ce(1) and one Ce(2) atom. is represented by the CIF file [CIF]
data_CeSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.483
_cell_length_b   8.483
_cell_length_c   11.304
_cell_angle_alpha   82.023
_cell_angle_beta   82.023
_cell_angle_gamma   94.683
_symmetry_Int_Tables_number   1
_cell_volume   793.585
_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  0.989  0.990  0.236  1.0
  Ce  Ce1  1  0.010  0.011  0.764  1.0
  Ce  Ce2  1  0.562  0.818  0.578  1.0
  Ce  Ce3  1  0.182  0.438  0.422  1.0
  Se  Se4  1  0.456  0.544  0.500  1.0
  Se  Se5  1  0.949  0.051  0.000  1.0
  Se  Se6  1  0.061  0.684  0.293  1.0
  Se  Se7  1  0.316  0.939  0.707  1.0
  Se  Se8  1  0.709  0.021  0.378  1.0
  Se  Se9  1  0.979  0.291  0.622  1.0
  Se  Se10  1  0.796  0.778  0.719  1.0
  Se  Se11  1  0.222  0.204  0.281  1.0
[/CIF]
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