The compound described by NdCeS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Nd(1) is bonded to six equivalent S(1) atoms to form NdS6 octahedra that share corners with six equivalent Ce(1)S6 octahedra, edges with six equivalent Nd(1)S6 octahedra, and edges with six equivalent Ce(1)S6 octahedra. The corner-sharing octahedra are not tilted. Ce(1) is bonded to six equivalent S(1) atoms to form CeS6 octahedra that share corners with six equivalent Nd(1)S6 octahedra, edges with six equivalent Nd(1)S6 octahedra, and edges with six equivalent Ce(1)S6 octahedra. The corner-sharing octahedra are not tilted. S(1) is bonded to three equivalent Nd(1) and three equivalent Ce(1) atoms to form a mixture of corner and edge-sharing SCe3Nd3 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_CeNdS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.117
_cell_length_b   7.117
_cell_length_c   7.117
_cell_angle_alpha   33.028
_cell_angle_beta   33.028
_cell_angle_gamma   33.028
_symmetry_Int_Tables_number   1
_cell_volume   95.314
_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
  Ce  Ce0  1  0.000  0.000  0.000  1.0
  Nd  Nd1  1  0.500  0.500  0.500  1.0
  S  S2  1  0.250  0.250  0.250  1.0
  S  S3  1  0.750  0.750  0.750  1.0
[/CIF]
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The compound described by NdCeS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Nd(1) is bonded to six equivalent S(1) atoms to form NdS6 octahedra that share corners with six equivalent Ce(1)S6 octahedra, edges with six equivalent Nd(1)S6 octahedra, and edges with six equivalent Ce(1)S6 octahedra. The corner-sharing octahedra are not tilted. Ce(1) is bonded to six equivalent S(1) atoms to form CeS6 octahedra that share corners with six equivalent Nd(1)S6 octahedra, edges with six equivalent Nd(1)S6 octahedra, and edges with six equivalent Ce(1)S6 octahedra. The corner-sharing octahedra are not tilted. S(1) is bonded to three equivalent Nd(1) and three equivalent Ce(1) atoms to form a mixture of corner and edge-sharing SCe3Nd3 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_CeNdS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.117
_cell_length_b   7.117
_cell_length_c   7.117
_cell_angle_alpha   33.028
_cell_angle_beta   33.028
_cell_angle_gamma   33.028
_symmetry_Int_Tables_number   1
_cell_volume   95.314
_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
  Ce  Ce0  1  0.000  0.000  0.000  1.0
  Nd  Nd1  1  0.500  0.500  0.500  1.0
  S  S2  1  0.250  0.250  0.250  1.0
  S  S3  1  0.750  0.750  0.750  1.0
[/CIF]
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