The compound described by CeSe2 is quartz (alpha)-like structured and crystallizes in the orthorhombic C222_1 space group. Ce(1) is bonded to one Se(2), one Se(3), and two equivalent Se(1) atoms to form corner-sharing CeSe4 tetrahedra. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a bent 150 degrees geometry to two equivalent Ce(1) 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 120 degrees geometry to two equivalent Ce(1) atoms. is represented by the CIF card [CIF]
data_CeSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.608
_cell_length_b   9.608
_cell_length_c   7.935
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   97.153
_symmetry_Int_Tables_number   1
_cell_volume   726.905
_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  0.045  0.349  0.144  1.0
  Ce  Ce1  1  0.349  0.045  0.856  1.0
  Ce  Ce2  1  0.955  0.651  0.644  1.0
  Ce  Ce3  1  0.651  0.955  0.356  1.0
  Se  Se4  1  0.106  0.524  0.412  1.0
  Se  Se5  1  0.524  0.106  0.588  1.0
  Se  Se6  1  0.894  0.476  0.912  1.0
  Se  Se7  1  0.476  0.894  0.088  1.0
  Se  Se8  1  0.895  0.105  0.250  1.0
  Se  Se9  1  0.105  0.895  0.750  1.0
  Se  Se10  1  0.713  0.713  0.500  1.0
  Se  Se11  1  0.287  0.287  0.000  1.0
[/CIF]
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The compound described by CeSe2 is quartz (alpha)-like structured and crystallizes in the orthorhombic C222_1 space group. Ce(1) is bonded to one Se(2), one Se(3), and two equivalent Se(1) atoms to form corner-sharing CeSe4 tetrahedra. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a bent 150 degrees geometry to two equivalent Ce(1) 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 120 degrees geometry to two equivalent Ce(1) atoms. is represented by the CIF card [CIF]
data_CeSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.608
_cell_length_b   9.608
_cell_length_c   7.935
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   97.153
_symmetry_Int_Tables_number   1
_cell_volume   726.905
_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  0.045  0.349  0.144  1.0
  Ce  Ce1  1  0.349  0.045  0.856  1.0
  Ce  Ce2  1  0.955  0.651  0.644  1.0
  Ce  Ce3  1  0.651  0.955  0.356  1.0
  Se  Se4  1  0.106  0.524  0.412  1.0
  Se  Se5  1  0.524  0.106  0.588  1.0
  Se  Se6  1  0.894  0.476  0.912  1.0
  Se  Se7  1  0.476  0.894  0.088  1.0
  Se  Se8  1  0.895  0.105  0.250  1.0
  Se  Se9  1  0.105  0.895  0.750  1.0
  Se  Se10  1  0.713  0.713  0.500  1.0
  Se  Se11  1  0.287  0.287  0.000  1.0
[/CIF]
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