The compound described by CeSe2 crystallizes in the orthorhombic Pcca space group. Ce(1) is bonded to one Se(1), one Se(2), one Se(3), and one Se(4) atom to form corner-sharing CeSe4 tetrahedra. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded in a bent 120 degrees geometry to two equivalent Ce(1) atoms. In the second Se site, Se(2) is bonded in a bent 120 degrees geometry to two equivalent Ce(1) atoms. In the third Se site, Se(3) is bonded in a linear geometry to two equivalent Ce(1) atoms. In the fourth Se site, Se(4) 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   7.134
_cell_length_b   12.130
_cell_length_c   14.478
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1252.935
_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  0.765  0.882  0.611  1.0
  Ce  Ce1  1  0.235  0.618  0.611  1.0
  Ce  Ce2  1  0.235  0.382  0.889  1.0
  Ce  Ce3  1  0.765  0.118  0.889  1.0
  Ce  Ce4  1  0.235  0.118  0.389  1.0
  Ce  Ce5  1  0.765  0.382  0.389  1.0
  Ce  Ce6  1  0.765  0.618  0.111  1.0
  Ce  Ce7  1  0.235  0.882  0.111  1.0
  Se  Se8  1  0.000  0.750  0.708  1.0
  Se  Se9  1  0.000  0.250  0.792  1.0
  Se  Se10  1  0.000  0.250  0.292  1.0
  Se  Se11  1  0.000  0.750  0.208  1.0
  Se  Se12  1  0.399  0.500  0.750  1.0
  Se  Se13  1  0.601  0.000  0.750  1.0
  Se  Se14  1  0.601  0.500  0.250  1.0
  Se  Se15  1  0.399  0.000  0.250  1.0
  Se  Se16  1  0.000  0.000  0.500  1.0
  Se  Se17  1  0.000  0.500  0.500  1.0
  Se  Se18  1  0.000  0.500  0.000  1.0
  Se  Se19  1  0.000  0.000  0.000  1.0
  Se  Se20  1  0.500  0.750  0.532  1.0
  Se  Se21  1  0.500  0.250  0.968  1.0
  Se  Se22  1  0.500  0.250  0.468  1.0
  Se  Se23  1  0.500  0.750  0.032  1.0
[/CIF]
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The compound described by CeSe2 crystallizes in the orthorhombic Pcca space group. Ce(1) is bonded to one Se(1), one Se(2), one Se(3), and one Se(4) atom to form corner-sharing CeSe4 tetrahedra. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded in a bent 120 degrees geometry to two equivalent Ce(1) atoms. In the second Se site, Se(2) is bonded in a bent 120 degrees geometry to two equivalent Ce(1) atoms. In the third Se site, Se(3) is bonded in a linear geometry to two equivalent Ce(1) atoms. In the fourth Se site, Se(4) 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   7.134
_cell_length_b   12.130
_cell_length_c   14.478
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1252.935
_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  0.765  0.882  0.611  1.0
  Ce  Ce1  1  0.235  0.618  0.611  1.0
  Ce  Ce2  1  0.235  0.382  0.889  1.0
  Ce  Ce3  1  0.765  0.118  0.889  1.0
  Ce  Ce4  1  0.235  0.118  0.389  1.0
  Ce  Ce5  1  0.765  0.382  0.389  1.0
  Ce  Ce6  1  0.765  0.618  0.111  1.0
  Ce  Ce7  1  0.235  0.882  0.111  1.0
  Se  Se8  1  0.000  0.750  0.708  1.0
  Se  Se9  1  0.000  0.250  0.792  1.0
  Se  Se10  1  0.000  0.250  0.292  1.0
  Se  Se11  1  0.000  0.750  0.208  1.0
  Se  Se12  1  0.399  0.500  0.750  1.0
  Se  Se13  1  0.601  0.000  0.750  1.0
  Se  Se14  1  0.601  0.500  0.250  1.0
  Se  Se15  1  0.399  0.000  0.250  1.0
  Se  Se16  1  0.000  0.000  0.500  1.0
  Se  Se17  1  0.000  0.500  0.500  1.0
  Se  Se18  1  0.000  0.500  0.000  1.0
  Se  Se19  1  0.000  0.000  0.000  1.0
  Se  Se20  1  0.500  0.750  0.532  1.0
  Se  Se21  1  0.500  0.250  0.968  1.0
  Se  Se22  1  0.500  0.250  0.468  1.0
  Se  Se23  1  0.500  0.750  0.032  1.0
[/CIF]
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