The structure described by CeS2 crystallizes in the monoclinic P2_1/c space group. Ce(1) is bonded in a 9-coordinate geometry to four equivalent S(1) and five equivalent S(2) atoms. There are two inequivalent S sites. In the first S site, S(2) is bonded to five equivalent Ce(1) atoms to form a mixture of distorted corner and edge-sharing SCe5 trigonal bipyramids. In the second S site, S(1) is bonded in a distorted pentagonal planar geometry to four equivalent Ce(1) and one S(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CeS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.081
_cell_length_b   8.151
_cell_length_c   8.117
_cell_angle_alpha   89.856
_cell_angle_beta   90.011
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   270.007
_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  0.712  0.723  0.628  1.0
  Ce  Ce1  1  0.212  0.277  0.872  1.0
  Ce  Ce2  1  0.288  0.277  0.372  1.0
  Ce  Ce3  1  0.788  0.723  0.128  1.0
  S  S4  1  0.152  0.997  0.606  1.0
  S  S5  1  0.652  0.003  0.894  1.0
  S  S6  1  0.848  0.003  0.394  1.0
  S  S7  1  0.348  0.997  0.106  1.0
  S  S8  1  0.760  0.366  0.126  1.0
  S  S9  1  0.260  0.634  0.374  1.0
  S  S10  1  0.240  0.634  0.874  1.0
  S  S11  1  0.740  0.366  0.626  1.0
[/CIF]
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The structure described by CeS2 crystallizes in the monoclinic P2_1/c space group. Ce(1) is bonded in a 9-coordinate geometry to four equivalent S(1) and five equivalent S(2) atoms. There are two inequivalent S sites. In the first S site, S(2) is bonded to five equivalent Ce(1) atoms to form a mixture of distorted corner and edge-sharing SCe5 trigonal bipyramids. In the second S site, S(1) is bonded in a distorted pentagonal planar geometry to four equivalent Ce(1) and one S(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CeS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.081
_cell_length_b   8.151
_cell_length_c   8.117
_cell_angle_alpha   89.856
_cell_angle_beta   90.011
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   270.007
_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  0.712  0.723  0.628  1.0
  Ce  Ce1  1  0.212  0.277  0.872  1.0
  Ce  Ce2  1  0.288  0.277  0.372  1.0
  Ce  Ce3  1  0.788  0.723  0.128  1.0
  S  S4  1  0.152  0.997  0.606  1.0
  S  S5  1  0.652  0.003  0.894  1.0
  S  S6  1  0.848  0.003  0.394  1.0
  S  S7  1  0.348  0.997  0.106  1.0
  S  S8  1  0.760  0.366  0.126  1.0
  S  S9  1  0.260  0.634  0.374  1.0
  S  S10  1  0.240  0.634  0.874  1.0
  S  S11  1  0.740  0.366  0.626  1.0
[/CIF]
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