The material described by CeSe2 is quartz (beta)-like structured and crystallizes in the tetragonal I4/mcm 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 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 150 degrees geometry to two equivalent Ce(1) atoms. In the fourth Se site, Se(4) is bonded in a bent 150 degrees geometry to two equivalent Ce(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CeSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.251
_cell_length_b   18.472
_cell_length_c   18.472
_cell_angle_alpha   80.188
_cell_angle_beta   65.619
_cell_angle_gamma   65.619
_symmetry_Int_Tables_number   1
_cell_volume   4317.322
_cell_formula_units_Z   16
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  0.574  0.342  0.861  1.0
  Ce  Ce1  1  0.776  0.658  0.139  1.0
  Ce  Ce2  1  0.276  0.139  0.658  1.0
  Ce  Ce3  1  0.074  0.861  0.342  1.0
  Ce  Ce4  1  0.915  0.861  0.658  1.0
  Ce  Ce5  1  0.435  0.139  0.342  1.0
  Ce  Ce6  1  0.415  0.658  0.861  1.0
  Ce  Ce7  1  0.935  0.342  0.139  1.0
  Ce  Ce8  1  0.426  0.658  0.139  1.0
  Ce  Ce9  1  0.224  0.342  0.861  1.0
  Ce  Ce10  1  0.724  0.861  0.342  1.0
  Ce  Ce11  1  0.926  0.139  0.658  1.0
  Ce  Ce12  1  0.085  0.139  0.342  1.0
  Ce  Ce13  1  0.565  0.861  0.658  1.0
  Ce  Ce14  1  0.585  0.342  0.139  1.0
  Ce  Ce15  1  0.065  0.658  0.861  1.0
  Se  Se16  1  0.604  0.292  0.000  1.0
  Se  Se17  1  0.896  0.708  0.000  1.0
  Se  Se18  1  0.396  0.000  0.708  1.0
  Se  Se19  1  0.104  0.000  0.292  1.0
  Se  Se20  1  0.896  0.000  0.708  1.0
  Se  Se21  1  0.604  0.000  0.292  1.0
  Se  Se22  1  0.396  0.708  0.000  1.0
  Se  Se23  1  0.104  0.292  0.000  1.0
  Se  Se24  1  0.465  0.500  0.162  1.0
  Se  Se25  1  0.127  0.500  0.838  1.0
  Se  Se26  1  0.627  0.838  0.500  1.0
  Se  Se27  1  0.965  0.162  0.500  1.0
  Se  Se28  1  0.535  0.500  0.838  1.0
  Se  Se29  1  0.873  0.500  0.162  1.0
  Se  Se30  1  0.373  0.162  0.500  1.0
  Se  Se31  1  0.035  0.838  0.500  1.0
  Se  Se32  1  0.587  0.693  0.133  1.0
  Se  Se33  1  0.413  0.307  0.867  1.0
  Se  Se34  1  0.913  0.867  0.307  1.0
  Se  Se35  1  0.087  0.133  0.693  1.0
  Se  Se36  1  0.280  0.133  0.307  1.0
  Se  Se37  1  0.720  0.867  0.693  1.0
  Se  Se38  1  0.780  0.307  0.133  1.0
  Se  Se39  1  0.220  0.693  0.867  1.0
  Se  Se40  1  0.750  0.735  0.265  1.0
  Se  Se41  1  0.750  0.265  0.735  1.0
  Se  Se42  1  0.250  0.735  0.265  1.0
  Se  Se43  1  0.250  0.265  0.735  1.0
  Se  Se44  1  0.485  0.265  0.265  1.0
  Se  Se45  1  0.015  0.735  0.735  1.0
  Se  Se46  1  0.985  0.265  0.265  1.0
  Se  Se47  1  0.515  0.735  0.735  1.0
[/CIF]
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The material described by CeSe2 is quartz (beta)-like structured and crystallizes in the tetragonal I4/mcm 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 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 150 degrees geometry to two equivalent Ce(1) atoms. In the fourth Se site, Se(4) is bonded in a bent 150 degrees geometry to two equivalent Ce(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CeSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.251
_cell_length_b   18.472
_cell_length_c   18.472
_cell_angle_alpha   80.188
_cell_angle_beta   65.619
_cell_angle_gamma   65.619
_symmetry_Int_Tables_number   1
_cell_volume   4317.322
_cell_formula_units_Z   16
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  0.574  0.342  0.861  1.0
  Ce  Ce1  1  0.776  0.658  0.139  1.0
  Ce  Ce2  1  0.276  0.139  0.658  1.0
  Ce  Ce3  1  0.074  0.861  0.342  1.0
  Ce  Ce4  1  0.915  0.861  0.658  1.0
  Ce  Ce5  1  0.435  0.139  0.342  1.0
  Ce  Ce6  1  0.415  0.658  0.861  1.0
  Ce  Ce7  1  0.935  0.342  0.139  1.0
  Ce  Ce8  1  0.426  0.658  0.139  1.0
  Ce  Ce9  1  0.224  0.342  0.861  1.0
  Ce  Ce10  1  0.724  0.861  0.342  1.0
  Ce  Ce11  1  0.926  0.139  0.658  1.0
  Ce  Ce12  1  0.085  0.139  0.342  1.0
  Ce  Ce13  1  0.565  0.861  0.658  1.0
  Ce  Ce14  1  0.585  0.342  0.139  1.0
  Ce  Ce15  1  0.065  0.658  0.861  1.0
  Se  Se16  1  0.604  0.292  0.000  1.0
  Se  Se17  1  0.896  0.708  0.000  1.0
  Se  Se18  1  0.396  0.000  0.708  1.0
  Se  Se19  1  0.104  0.000  0.292  1.0
  Se  Se20  1  0.896  0.000  0.708  1.0
  Se  Se21  1  0.604  0.000  0.292  1.0
  Se  Se22  1  0.396  0.708  0.000  1.0
  Se  Se23  1  0.104  0.292  0.000  1.0
  Se  Se24  1  0.465  0.500  0.162  1.0
  Se  Se25  1  0.127  0.500  0.838  1.0
  Se  Se26  1  0.627  0.838  0.500  1.0
  Se  Se27  1  0.965  0.162  0.500  1.0
  Se  Se28  1  0.535  0.500  0.838  1.0
  Se  Se29  1  0.873  0.500  0.162  1.0
  Se  Se30  1  0.373  0.162  0.500  1.0
  Se  Se31  1  0.035  0.838  0.500  1.0
  Se  Se32  1  0.587  0.693  0.133  1.0
  Se  Se33  1  0.413  0.307  0.867  1.0
  Se  Se34  1  0.913  0.867  0.307  1.0
  Se  Se35  1  0.087  0.133  0.693  1.0
  Se  Se36  1  0.280  0.133  0.307  1.0
  Se  Se37  1  0.720  0.867  0.693  1.0
  Se  Se38  1  0.780  0.307  0.133  1.0
  Se  Se39  1  0.220  0.693  0.867  1.0
  Se  Se40  1  0.750  0.735  0.265  1.0
  Se  Se41  1  0.750  0.265  0.735  1.0
  Se  Se42  1  0.250  0.735  0.265  1.0
  Se  Se43  1  0.250  0.265  0.735  1.0
  Se  Se44  1  0.485  0.265  0.265  1.0
  Se  Se45  1  0.015  0.735  0.735  1.0
  Se  Se46  1  0.985  0.265  0.265  1.0
  Se  Se47  1  0.515  0.735  0.735  1.0
[/CIF]
.