The material described by CeSe2 crystallizes in the tetragonal P4_12_12 space group. Ce(1) is bonded to six equivalent Se(1) atoms to form a mixture of distorted corner and edge-sharing CeSe6 pentagonal pyramids. Se(1) is bonded in a distorted T-shaped geometry to three equivalent Ce(1) atoms. is represented by the CIF file [CIF]
data_CeSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.500
_cell_length_b   5.500
_cell_length_c   13.858
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   419.260
_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  0.715  0.285  0.750  1.0
  Ce  Ce1  1  0.285  0.715  0.250  1.0
  Ce  Ce2  1  0.785  0.785  0.500  1.0
  Ce  Ce3  1  0.215  0.215  0.000  1.0
  Se  Se4  1  0.839  0.287  0.550  1.0
  Se  Se5  1  0.161  0.713  0.050  1.0
  Se  Se6  1  0.787  0.661  0.300  1.0
  Se  Se7  1  0.213  0.339  0.800  1.0
  Se  Se8  1  0.713  0.161  0.950  1.0
  Se  Se9  1  0.287  0.839  0.450  1.0
  Se  Se10  1  0.661  0.787  0.700  1.0
  Se  Se11  1  0.339  0.213  0.200  1.0
[/CIF]
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The material described by CeSe2 crystallizes in the tetragonal P4_12_12 space group. Ce(1) is bonded to six equivalent Se(1) atoms to form a mixture of distorted corner and edge-sharing CeSe6 pentagonal pyramids. Se(1) is bonded in a distorted T-shaped geometry to three equivalent Ce(1) atoms. is represented by the CIF file [CIF]
data_CeSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.500
_cell_length_b   5.500
_cell_length_c   13.858
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   419.260
_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  0.715  0.285  0.750  1.0
  Ce  Ce1  1  0.285  0.715  0.250  1.0
  Ce  Ce2  1  0.785  0.785  0.500  1.0
  Ce  Ce3  1  0.215  0.215  0.000  1.0
  Se  Se4  1  0.839  0.287  0.550  1.0
  Se  Se5  1  0.161  0.713  0.050  1.0
  Se  Se6  1  0.787  0.661  0.300  1.0
  Se  Se7  1  0.213  0.339  0.800  1.0
  Se  Se8  1  0.713  0.161  0.950  1.0
  Se  Se9  1  0.287  0.839  0.450  1.0
  Se  Se10  1  0.661  0.787  0.700  1.0
  Se  Se11  1  0.339  0.213  0.200  1.0
[/CIF]
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