The compound described by Nd2PbS4 crystallizes in the tetragonal I-42d space group. Nd(1) is bonded to eight equivalent S(1) atoms to form a mixture of distorted edge, face, and corner-sharing NdS8 hexagonal bipyramids. Pb(1) is bonded in a 8-coordinate geometry to eight equivalent S(1) atoms. S(1) is bonded in a 6-coordinate geometry to four equivalent Nd(1) and two equivalent Pb(1) atoms. is represented by the CIF card [CIF]
data_Nd2PbS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.517
_cell_length_b   7.517
_cell_length_c   7.517
_cell_angle_alpha   109.412
_cell_angle_beta   109.412
_cell_angle_gamma   109.589
_symmetry_Int_Tables_number   1
_cell_volume   326.961
_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
  Nd  Nd0  1  0.125  0.506  0.881  1.0
  Nd  Nd1  1  0.494  0.375  0.619  1.0
  Nd  Nd2  1  0.625  0.244  0.119  1.0
  Nd  Nd3  1  0.756  0.875  0.381  1.0
  Pb  Pb4  1  0.000  0.000  0.000  1.0
  Pb  Pb5  1  0.250  0.750  0.500  1.0
  S  S6  1  0.863  0.615  0.096  1.0
  S  S7  1  0.865  0.613  0.596  1.0
  S  S8  1  0.385  0.480  0.248  1.0
  S  S9  1  0.017  0.270  0.404  1.0
  S  S10  1  0.233  0.137  0.752  1.0
  S  S11  1  0.520  0.767  0.904  1.0
  S  S12  1  0.387  0.983  0.252  1.0
  S  S13  1  0.730  0.135  0.748  1.0
[/CIF]
.
The compound described by Nd2PbS4 crystallizes in the tetragonal I-42d space group. Nd(1) is bonded to eight equivalent S(1) atoms to form a mixture of distorted edge, face, and corner-sharing NdS8 hexagonal bipyramids. Pb(1) is bonded in a 8-coordinate geometry to eight equivalent S(1) atoms. S(1) is bonded in a 6-coordinate geometry to four equivalent Nd(1) and two equivalent Pb(1) atoms. is represented by the CIF card [CIF]
data_Nd2PbS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.517
_cell_length_b   7.517
_cell_length_c   7.517
_cell_angle_alpha   109.412
_cell_angle_beta   109.412
_cell_angle_gamma   109.589
_symmetry_Int_Tables_number   1
_cell_volume   326.961
_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
  Nd  Nd0  1  0.125  0.506  0.881  1.0
  Nd  Nd1  1  0.494  0.375  0.619  1.0
  Nd  Nd2  1  0.625  0.244  0.119  1.0
  Nd  Nd3  1  0.756  0.875  0.381  1.0
  Pb  Pb4  1  0.000  0.000  0.000  1.0
  Pb  Pb5  1  0.250  0.750  0.500  1.0
  S  S6  1  0.863  0.615  0.096  1.0
  S  S7  1  0.865  0.613  0.596  1.0
  S  S8  1  0.385  0.480  0.248  1.0
  S  S9  1  0.017  0.270  0.404  1.0
  S  S10  1  0.233  0.137  0.752  1.0
  S  S11  1  0.520  0.767  0.904  1.0
  S  S12  1  0.387  0.983  0.252  1.0
  S  S13  1  0.730  0.135  0.748  1.0
[/CIF]
.