The material structure described by CeSe2 is High (Orthorhombic) Tridymite-like structured and crystallizes in the orthorhombic Fddd space group. Ce(1) is bonded to two equivalent Se(1) and two equivalent Se(2) atoms to form corner-sharing CeSe4 tetrahedra. There are two 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 linear 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   14.755
_cell_length_b   13.024
_cell_length_c   8.942
_cell_angle_alpha   82.134
_cell_angle_beta   60.973
_cell_angle_gamma   36.893
_symmetry_Int_Tables_number   1
_cell_volume   792.060
_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  0.937  0.937  0.563  1.0
  Ce  Ce1  1  0.563  0.563  0.937  1.0
  Ce  Ce2  1  0.313  0.313  0.687  1.0
  Ce  Ce3  1  0.687  0.687  0.313  1.0
  Se  Se4  1  0.438  0.062  0.438  1.0
  Se  Se5  1  0.812  0.188  0.812  1.0
  Se  Se6  1  0.062  0.438  0.062  1.0
  Se  Se7  1  0.188  0.812  0.188  1.0
  Se  Se8  1  0.125  0.625  0.625  1.0
  Se  Se9  1  0.625  0.625  0.125  1.0
  Se  Se10  1  0.625  0.625  0.625  1.0
  Se  Se11  1  0.625  0.125  0.625  1.0
[/CIF]
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The material structure described by CeSe2 is High (Orthorhombic) Tridymite-like structured and crystallizes in the orthorhombic Fddd space group. Ce(1) is bonded to two equivalent Se(1) and two equivalent Se(2) atoms to form corner-sharing CeSe4 tetrahedra. There are two 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 linear 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   14.755
_cell_length_b   13.024
_cell_length_c   8.942
_cell_angle_alpha   82.134
_cell_angle_beta   60.973
_cell_angle_gamma   36.893
_symmetry_Int_Tables_number   1
_cell_volume   792.060
_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  0.937  0.937  0.563  1.0
  Ce  Ce1  1  0.563  0.563  0.937  1.0
  Ce  Ce2  1  0.313  0.313  0.687  1.0
  Ce  Ce3  1  0.687  0.687  0.313  1.0
  Se  Se4  1  0.438  0.062  0.438  1.0
  Se  Se5  1  0.812  0.188  0.812  1.0
  Se  Se6  1  0.062  0.438  0.062  1.0
  Se  Se7  1  0.188  0.812  0.188  1.0
  Se  Se8  1  0.125  0.625  0.625  1.0
  Se  Se9  1  0.625  0.625  0.125  1.0
  Se  Se10  1  0.625  0.625  0.625  1.0
  Se  Se11  1  0.625  0.125  0.625  1.0
[/CIF]
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