The crystal structure described by CeSe2 is Hydrophilite-like structured and crystallizes in the tetragonal P4_12_12 space group. Ce(1) is bonded to six equivalent Se(1) atoms to form a mixture of corner and edge-sharing CeSe6 octahedra. The corner-sharing octahedral tilt angles range from 42-61°. Se(1) is bonded in a distorted trigonal planar geometry to three equivalent Ce(1) atoms. is represented by the CIF card [CIF]
data_CeSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.612
_cell_length_b   6.612
_cell_length_c   8.776
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   383.684
_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  0.475  0.525  0.750  1.0
  Ce  Ce1  1  0.525  0.475  0.250  1.0
  Ce  Ce2  1  0.025  0.025  0.500  1.0
  Ce  Ce3  1  0.975  0.975  0.000  1.0
  Se  Se4  1  0.680  0.293  0.521  1.0
  Se  Se5  1  0.320  0.707  0.021  1.0
  Se  Se6  1  0.793  0.820  0.271  1.0
  Se  Se7  1  0.207  0.180  0.771  1.0
  Se  Se8  1  0.707  0.320  0.979  1.0
  Se  Se9  1  0.293  0.680  0.479  1.0
  Se  Se10  1  0.820  0.793  0.729  1.0
  Se  Se11  1  0.180  0.207  0.229  1.0
[/CIF]
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The crystal structure described by CeSe2 is Hydrophilite-like structured and crystallizes in the tetragonal P4_12_12 space group. Ce(1) is bonded to six equivalent Se(1) atoms to form a mixture of corner and edge-sharing CeSe6 octahedra. The corner-sharing octahedral tilt angles range from 42-61°. Se(1) is bonded in a distorted trigonal planar geometry to three equivalent Ce(1) atoms. is represented by the CIF card [CIF]
data_CeSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.612
_cell_length_b   6.612
_cell_length_c   8.776
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   383.684
_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  0.475  0.525  0.750  1.0
  Ce  Ce1  1  0.525  0.475  0.250  1.0
  Ce  Ce2  1  0.025  0.025  0.500  1.0
  Ce  Ce3  1  0.975  0.975  0.000  1.0
  Se  Se4  1  0.680  0.293  0.521  1.0
  Se  Se5  1  0.320  0.707  0.021  1.0
  Se  Se6  1  0.793  0.820  0.271  1.0
  Se  Se7  1  0.207  0.180  0.771  1.0
  Se  Se8  1  0.707  0.320  0.979  1.0
  Se  Se9  1  0.293  0.680  0.479  1.0
  Se  Se10  1  0.820  0.793  0.729  1.0
  Se  Se11  1  0.180  0.207  0.229  1.0
[/CIF]
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