The structure described by NaCeS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Na(1) is bonded to six equivalent S(1) atoms to form NaS6 octahedra that share corners with six equivalent Ce(1)S6 octahedra, edges with six equivalent Na(1)S6 octahedra, and edges with six equivalent Ce(1)S6 octahedra. The corner-sharing octahedral tilt angles are 3°. Ce(1) is bonded to six equivalent S(1) atoms to form CeS6 octahedra that share corners with six equivalent Na(1)S6 octahedra, edges with six equivalent Na(1)S6 octahedra, and edges with six equivalent Ce(1)S6 octahedra. The corner-sharing octahedral tilt angles are 3°. S(1) is bonded to three equivalent Na(1) and three equivalent Ce(1) atoms to form a mixture of edge and corner-sharing SNa3Ce3 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_NaCeS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.028
_cell_length_b   7.028
_cell_length_c   7.028
_cell_angle_alpha   34.515
_cell_angle_beta   34.515
_cell_angle_gamma   34.515
_symmetry_Int_Tables_number   1
_cell_volume   99.431
_cell_formula_units_Z   1
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
  Na  Na0  1  0.500  0.500  0.500  1.0
  Ce  Ce1  1  0.000  0.000  0.000  1.0
  S  S2  1  0.255  0.255  0.255  1.0
  S  S3  1  0.745  0.745  0.745  1.0
[/CIF]
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The structure described by NaCeS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Na(1) is bonded to six equivalent S(1) atoms to form NaS6 octahedra that share corners with six equivalent Ce(1)S6 octahedra, edges with six equivalent Na(1)S6 octahedra, and edges with six equivalent Ce(1)S6 octahedra. The corner-sharing octahedral tilt angles are 3°. Ce(1) is bonded to six equivalent S(1) atoms to form CeS6 octahedra that share corners with six equivalent Na(1)S6 octahedra, edges with six equivalent Na(1)S6 octahedra, and edges with six equivalent Ce(1)S6 octahedra. The corner-sharing octahedral tilt angles are 3°. S(1) is bonded to three equivalent Na(1) and three equivalent Ce(1) atoms to form a mixture of edge and corner-sharing SNa3Ce3 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_NaCeS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.028
_cell_length_b   7.028
_cell_length_c   7.028
_cell_angle_alpha   34.515
_cell_angle_beta   34.515
_cell_angle_gamma   34.515
_symmetry_Int_Tables_number   1
_cell_volume   99.431
_cell_formula_units_Z   1
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
  Na  Na0  1  0.500  0.500  0.500  1.0
  Ce  Ce1  1  0.000  0.000  0.000  1.0
  S  S2  1  0.255  0.255  0.255  1.0
  S  S3  1  0.745  0.745  0.745  1.0
[/CIF]
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