The material structure described by CeSe2 is quartz (alpha)-like structured and crystallizes in the orthorhombic Ima2 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 150 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   11.706
_cell_length_b   11.706
_cell_length_c   11.706
_cell_angle_alpha   138.366
_cell_angle_beta   109.665
_cell_angle_gamma   85.186
_symmetry_Int_Tables_number   1
_cell_volume   966.893
_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  0.042  0.898  0.144  1.0
  Ce  Ce1  1  0.958  0.103  0.856  1.0
  Ce  Ce2  1  0.746  0.603  0.144  1.0
  Ce  Ce3  1  0.254  0.398  0.856  1.0
  Se  Se4  1  0.229  0.105  0.493  1.0
  Se  Se5  1  0.771  0.265  0.877  1.0
  Se  Se6  1  0.888  0.765  0.493  1.0
  Se  Se7  1  0.112  0.605  0.877  1.0
  Se  Se8  1  0.826  0.792  0.118  1.0
  Se  Se9  1  0.174  0.292  0.965  1.0
  Se  Se10  1  0.000  0.093  0.093  1.0
  Se  Se11  1  0.500  0.593  0.093  1.0
[/CIF]
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The material structure described by CeSe2 is quartz (alpha)-like structured and crystallizes in the orthorhombic Ima2 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 150 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   11.706
_cell_length_b   11.706
_cell_length_c   11.706
_cell_angle_alpha   138.366
_cell_angle_beta   109.665
_cell_angle_gamma   85.186
_symmetry_Int_Tables_number   1
_cell_volume   966.893
_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  0.042  0.898  0.144  1.0
  Ce  Ce1  1  0.958  0.103  0.856  1.0
  Ce  Ce2  1  0.746  0.603  0.144  1.0
  Ce  Ce3  1  0.254  0.398  0.856  1.0
  Se  Se4  1  0.229  0.105  0.493  1.0
  Se  Se5  1  0.771  0.265  0.877  1.0
  Se  Se6  1  0.888  0.765  0.493  1.0
  Se  Se7  1  0.112  0.605  0.877  1.0
  Se  Se8  1  0.826  0.792  0.118  1.0
  Se  Se9  1  0.174  0.292  0.965  1.0
  Se  Se10  1  0.000  0.093  0.093  1.0
  Se  Se11  1  0.500  0.593  0.093  1.0
[/CIF]
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