The material described by CeSe2 is Rutile-like structured and crystallizes in the monoclinic C2/c space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to one Se(2), two equivalent Se(1), and three equivalent Se(3) atoms to form a mixture of corner and edge-sharing CeSe6 octahedra. The corner-sharing octahedral tilt angles range from 21-55°. In the second Ce site, Ce(2) is bonded to two equivalent Se(1) and four equivalent Se(2) atoms to form a mixture of corner and edge-sharing CeSe6 octahedra. The corner-sharing octahedral tilt angles range from 48-55°. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal planar geometry to one Ce(2) and two equivalent Ce(1) atoms. In the second Se site, Se(2) is bonded in a trigonal planar geometry to one Ce(1) and two equivalent Ce(2) atoms. In the third Se site, Se(3) is bonded in a T-shaped 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   10.965
_cell_length_b   10.965
_cell_length_c   7.488
_cell_angle_alpha   80.431
_cell_angle_beta   80.431
_cell_angle_gamma   42.252
_symmetry_Int_Tables_number   1
_cell_volume   595.722
_cell_formula_units_Z   6
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  0.020  0.304  0.673  1.0
  Ce  Ce1  1  0.696  0.980  0.827  1.0
  Ce  Ce2  1  0.980  0.696  0.327  1.0
  Ce  Ce3  1  0.304  0.020  0.173  1.0
  Ce  Ce4  1  0.640  0.360  0.250  1.0
  Ce  Ce5  1  0.360  0.640  0.750  1.0
  Se  Se6  1  0.221  0.964  0.539  1.0
  Se  Se7  1  0.036  0.779  0.961  1.0
  Se  Se8  1  0.779  0.036  0.461  1.0
  Se  Se9  1  0.964  0.221  0.039  1.0
  Se  Se10  1  0.451  0.695  0.040  1.0
  Se  Se11  1  0.305  0.549  0.460  1.0
  Se  Se12  1  0.549  0.305  0.960  1.0
  Se  Se13  1  0.695  0.451  0.540  1.0
  Se  Se14  1  0.343  0.139  0.820  1.0
  Se  Se15  1  0.861  0.657  0.680  1.0
  Se  Se16  1  0.657  0.861  0.180  1.0
  Se  Se17  1  0.139  0.343  0.320  1.0
[/CIF]
.
The material described by CeSe2 is Rutile-like structured and crystallizes in the monoclinic C2/c space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to one Se(2), two equivalent Se(1), and three equivalent Se(3) atoms to form a mixture of corner and edge-sharing CeSe6 octahedra. The corner-sharing octahedral tilt angles range from 21-55°. In the second Ce site, Ce(2) is bonded to two equivalent Se(1) and four equivalent Se(2) atoms to form a mixture of corner and edge-sharing CeSe6 octahedra. The corner-sharing octahedral tilt angles range from 48-55°. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal planar geometry to one Ce(2) and two equivalent Ce(1) atoms. In the second Se site, Se(2) is bonded in a trigonal planar geometry to one Ce(1) and two equivalent Ce(2) atoms. In the third Se site, Se(3) is bonded in a T-shaped 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   10.965
_cell_length_b   10.965
_cell_length_c   7.488
_cell_angle_alpha   80.431
_cell_angle_beta   80.431
_cell_angle_gamma   42.252
_symmetry_Int_Tables_number   1
_cell_volume   595.722
_cell_formula_units_Z   6
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  0.020  0.304  0.673  1.0
  Ce  Ce1  1  0.696  0.980  0.827  1.0
  Ce  Ce2  1  0.980  0.696  0.327  1.0
  Ce  Ce3  1  0.304  0.020  0.173  1.0
  Ce  Ce4  1  0.640  0.360  0.250  1.0
  Ce  Ce5  1  0.360  0.640  0.750  1.0
  Se  Se6  1  0.221  0.964  0.539  1.0
  Se  Se7  1  0.036  0.779  0.961  1.0
  Se  Se8  1  0.779  0.036  0.461  1.0
  Se  Se9  1  0.964  0.221  0.039  1.0
  Se  Se10  1  0.451  0.695  0.040  1.0
  Se  Se11  1  0.305  0.549  0.460  1.0
  Se  Se12  1  0.549  0.305  0.960  1.0
  Se  Se13  1  0.695  0.451  0.540  1.0
  Se  Se14  1  0.343  0.139  0.820  1.0
  Se  Se15  1  0.861  0.657  0.680  1.0
  Se  Se16  1  0.657  0.861  0.180  1.0
  Se  Se17  1  0.139  0.343  0.320  1.0
[/CIF]
.