The material described by La2PbS4 crystallizes in the tetragonal I-42d space group. La(1) is bonded in a 8-coordinate geometry to eight equivalent S(1) atoms. 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 La(1) and two equivalent Pb(1) atoms. is represented by the CIF card [CIF]
data_La2PbS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.629
_cell_length_b   7.629
_cell_length_c   7.629
_cell_angle_alpha   109.344
_cell_angle_beta   109.344
_cell_angle_gamma   109.727
_symmetry_Int_Tables_number   1
_cell_volume   341.852
_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
  La  La0  1  0.625  0.010  0.885  1.0
  La  La1  1  0.125  0.740  0.115  1.0
  La  La2  1  0.990  0.875  0.615  1.0
  La  La3  1  0.260  0.375  0.385  1.0
  Pb  Pb4  1  0.500  0.500  0.000  1.0
  Pb  Pb5  1  0.750  0.250  0.500  1.0
  S  S6  1  0.515  0.767  0.400  1.0
  S  S7  1  0.883  0.983  0.249  1.0
  S  S8  1  0.735  0.634  0.751  1.0
  S  S9  1  0.017  0.265  0.900  1.0
  S  S10  1  0.884  0.485  0.251  1.0
  S  S11  1  0.366  0.117  0.100  1.0
  S  S12  1  0.233  0.633  0.749  1.0
  S  S13  1  0.367  0.116  0.600  1.0
[/CIF]
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The material described by La2PbS4 crystallizes in the tetragonal I-42d space group. La(1) is bonded in a 8-coordinate geometry to eight equivalent S(1) atoms. 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 La(1) and two equivalent Pb(1) atoms. is represented by the CIF card [CIF]
data_La2PbS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.629
_cell_length_b   7.629
_cell_length_c   7.629
_cell_angle_alpha   109.344
_cell_angle_beta   109.344
_cell_angle_gamma   109.727
_symmetry_Int_Tables_number   1
_cell_volume   341.852
_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
  La  La0  1  0.625  0.010  0.885  1.0
  La  La1  1  0.125  0.740  0.115  1.0
  La  La2  1  0.990  0.875  0.615  1.0
  La  La3  1  0.260  0.375  0.385  1.0
  Pb  Pb4  1  0.500  0.500  0.000  1.0
  Pb  Pb5  1  0.750  0.250  0.500  1.0
  S  S6  1  0.515  0.767  0.400  1.0
  S  S7  1  0.883  0.983  0.249  1.0
  S  S8  1  0.735  0.634  0.751  1.0
  S  S9  1  0.017  0.265  0.900  1.0
  S  S10  1  0.884  0.485  0.251  1.0
  S  S11  1  0.366  0.117  0.100  1.0
  S  S12  1  0.233  0.633  0.749  1.0
  S  S13  1  0.367  0.116  0.600  1.0
[/CIF]
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