The compound described by CeSe2 is Low Tridymite-like structured and crystallizes in the tetragonal I4_1/amd 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 CIF file [CIF]
data_CeSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.395
_cell_length_b   15.395
_cell_length_c   20.480
_cell_angle_alpha   112.078
_cell_angle_beta   112.078
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   4111.621
_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  0.482  0.477  0.617  1.0
  Ce  Ce1  1  0.135  0.140  0.617  1.0
  Ce  Ce2  1  0.115  0.610  0.883  1.0
  Ce  Ce3  1  0.768  0.273  0.883  1.0
  Ce  Ce4  1  0.135  0.477  0.617  1.0
  Ce  Ce5  1  0.482  0.140  0.617  1.0
  Ce  Ce6  1  0.768  0.610  0.883  1.0
  Ce  Ce7  1  0.115  0.273  0.883  1.0
  Ce  Ce8  1  0.523  0.518  0.383  1.0
  Ce  Ce9  1  0.860  0.865  0.383  1.0
  Ce  Ce10  1  0.390  0.885  0.117  1.0
  Ce  Ce11  1  0.727  0.232  0.117  1.0
  Ce  Ce12  1  0.860  0.518  0.383  1.0
  Ce  Ce13  1  0.523  0.865  0.383  1.0
  Ce  Ce14  1  0.727  0.885  0.117  1.0
  Ce  Ce15  1  0.390  0.232  0.117  1.0
  Se  Se16  1  0.021  0.979  0.500  1.0
  Se  Se17  1  0.479  0.521  0.500  1.0
  Se  Se18  1  0.771  0.229  0.000  1.0
  Se  Se19  1  0.229  0.771  0.000  1.0
  Se  Se20  1  0.479  0.979  0.500  1.0
  Se  Se21  1  0.021  0.521  0.500  1.0
  Se  Se22  1  0.229  0.229  0.000  1.0
  Se  Se23  1  0.771  0.771  0.000  1.0
  Se  Se24  1  0.933  0.242  0.866  1.0
  Se  Se25  1  0.933  0.624  0.866  1.0
  Se  Se26  1  0.317  0.126  0.634  1.0
  Se  Se27  1  0.317  0.508  0.634  1.0
  Se  Se28  1  0.758  0.067  0.134  1.0
  Se  Se29  1  0.376  0.067  0.134  1.0
  Se  Se30  1  0.874  0.683  0.366  1.0
  Se  Se31  1  0.492  0.683  0.366  1.0
  Se  Se32  1  0.743  0.457  0.914  1.0
  Se  Se33  1  0.170  0.457  0.914  1.0
  Se  Se34  1  0.080  0.293  0.586  1.0
  Se  Se35  1  0.507  0.293  0.586  1.0
  Se  Se36  1  0.543  0.257  0.086  1.0
  Se  Se37  1  0.543  0.830  0.086  1.0
  Se  Se38  1  0.707  0.920  0.414  1.0
  Se  Se39  1  0.707  0.493  0.414  1.0
  Se  Se40  1  0.125  0.154  0.750  1.0
  Se  Se41  1  0.625  0.596  0.750  1.0
  Se  Se42  1  0.625  0.154  0.750  1.0
  Se  Se43  1  0.125  0.596  0.750  1.0
  Se  Se44  1  0.846  0.875  0.250  1.0
  Se  Se45  1  0.404  0.375  0.250  1.0
  Se  Se46  1  0.846  0.375  0.250  1.0
  Se  Se47  1  0.404  0.875  0.250  1.0
[/CIF]
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The compound described by CeSe2 is Low Tridymite-like structured and crystallizes in the tetragonal I4_1/amd 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 CIF file [CIF]
data_CeSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.395
_cell_length_b   15.395
_cell_length_c   20.480
_cell_angle_alpha   112.078
_cell_angle_beta   112.078
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   4111.621
_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  0.482  0.477  0.617  1.0
  Ce  Ce1  1  0.135  0.140  0.617  1.0
  Ce  Ce2  1  0.115  0.610  0.883  1.0
  Ce  Ce3  1  0.768  0.273  0.883  1.0
  Ce  Ce4  1  0.135  0.477  0.617  1.0
  Ce  Ce5  1  0.482  0.140  0.617  1.0
  Ce  Ce6  1  0.768  0.610  0.883  1.0
  Ce  Ce7  1  0.115  0.273  0.883  1.0
  Ce  Ce8  1  0.523  0.518  0.383  1.0
  Ce  Ce9  1  0.860  0.865  0.383  1.0
  Ce  Ce10  1  0.390  0.885  0.117  1.0
  Ce  Ce11  1  0.727  0.232  0.117  1.0
  Ce  Ce12  1  0.860  0.518  0.383  1.0
  Ce  Ce13  1  0.523  0.865  0.383  1.0
  Ce  Ce14  1  0.727  0.885  0.117  1.0
  Ce  Ce15  1  0.390  0.232  0.117  1.0
  Se  Se16  1  0.021  0.979  0.500  1.0
  Se  Se17  1  0.479  0.521  0.500  1.0
  Se  Se18  1  0.771  0.229  0.000  1.0
  Se  Se19  1  0.229  0.771  0.000  1.0
  Se  Se20  1  0.479  0.979  0.500  1.0
  Se  Se21  1  0.021  0.521  0.500  1.0
  Se  Se22  1  0.229  0.229  0.000  1.0
  Se  Se23  1  0.771  0.771  0.000  1.0
  Se  Se24  1  0.933  0.242  0.866  1.0
  Se  Se25  1  0.933  0.624  0.866  1.0
  Se  Se26  1  0.317  0.126  0.634  1.0
  Se  Se27  1  0.317  0.508  0.634  1.0
  Se  Se28  1  0.758  0.067  0.134  1.0
  Se  Se29  1  0.376  0.067  0.134  1.0
  Se  Se30  1  0.874  0.683  0.366  1.0
  Se  Se31  1  0.492  0.683  0.366  1.0
  Se  Se32  1  0.743  0.457  0.914  1.0
  Se  Se33  1  0.170  0.457  0.914  1.0
  Se  Se34  1  0.080  0.293  0.586  1.0
  Se  Se35  1  0.507  0.293  0.586  1.0
  Se  Se36  1  0.543  0.257  0.086  1.0
  Se  Se37  1  0.543  0.830  0.086  1.0
  Se  Se38  1  0.707  0.920  0.414  1.0
  Se  Se39  1  0.707  0.493  0.414  1.0
  Se  Se40  1  0.125  0.154  0.750  1.0
  Se  Se41  1  0.625  0.596  0.750  1.0
  Se  Se42  1  0.625  0.154  0.750  1.0
  Se  Se43  1  0.125  0.596  0.750  1.0
  Se  Se44  1  0.846  0.875  0.250  1.0
  Se  Se45  1  0.404  0.375  0.250  1.0
  Se  Se46  1  0.846  0.375  0.250  1.0
  Se  Se47  1  0.404  0.875  0.250  1.0
[/CIF]
.