The material described by CsNdS2 is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. Cs(1) is bonded in a 6-coordinate geometry to six equivalent S(1) atoms. Nd(1) is bonded to six equivalent S(1) atoms to form edge-sharing NdS6 octahedra. S(1) is bonded to three equivalent Cs(1) and three equivalent Nd(1) atoms to form a mixture of distorted face, corner, and edge-sharing SCs3Nd3 octahedra. The corner-sharing octahedral tilt angles range from 0-41°. is represented by the CIF file [CIF]
data_CsNdS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.230
_cell_length_b   4.230
_cell_length_c   16.197
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   250.985
_cell_formula_units_Z   2
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
  Cs  Cs0  1  0.667  0.333  0.750  1.0
  Cs  Cs1  1  0.333  0.667  0.250  1.0
  Nd  Nd2  1  0.000  0.000  0.500  1.0
  Nd  Nd3  1  0.000  0.000  0.000  1.0
  S  S4  1  0.667  0.333  0.094  1.0
  S  S5  1  0.333  0.667  0.906  1.0
  S  S6  1  0.333  0.667  0.594  1.0
  S  S7  1  0.667  0.333  0.406  1.0
[/CIF]
.
The material described by CsNdS2 is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. Cs(1) is bonded in a 6-coordinate geometry to six equivalent S(1) atoms. Nd(1) is bonded to six equivalent S(1) atoms to form edge-sharing NdS6 octahedra. S(1) is bonded to three equivalent Cs(1) and three equivalent Nd(1) atoms to form a mixture of distorted face, corner, and edge-sharing SCs3Nd3 octahedra. The corner-sharing octahedral tilt angles range from 0-41°. is represented by the CIF file [CIF]
data_CsNdS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.230
_cell_length_b   4.230
_cell_length_c   16.197
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   250.985
_cell_formula_units_Z   2
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
  Cs  Cs0  1  0.667  0.333  0.750  1.0
  Cs  Cs1  1  0.333  0.667  0.250  1.0
  Nd  Nd2  1  0.000  0.000  0.500  1.0
  Nd  Nd3  1  0.000  0.000  0.000  1.0
  S  S4  1  0.667  0.333  0.094  1.0
  S  S5  1  0.333  0.667  0.906  1.0
  S  S6  1  0.333  0.667  0.594  1.0
  S  S7  1  0.667  0.333  0.406  1.0
[/CIF]
.