The material described by YbLaS3 crystallizes in the orthorhombic Pna2_1 space group. Yb(1) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form corner-sharing YbS6 octahedra. The corner-sharing octahedral tilt angles range from 40-68°. La(1) is bonded in a 8-coordinate geometry to two equivalent S(3), three equivalent S(1), and three equivalent S(2) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to two equivalent Yb(1) and three equivalent La(1) atoms. In the second S site, S(2) is bonded in a 5-coordinate geometry to two equivalent Yb(1) and three equivalent La(1) atoms. In the third S site, S(3) is bonded in a see-saw-like geometry to two equivalent Yb(1) and two equivalent La(1) atoms. is represented by the CIF file [CIF]
data_LaYbS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.160
_cell_length_b   7.784
_cell_length_c   8.949
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   498.756
_cell_formula_units_Z   4
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  0.477  0.600  0.507  1.0
  La  La1  1  0.523  0.400  0.007  1.0
  La  La2  1  0.977  0.900  0.007  1.0
  La  La3  1  0.023  0.100  0.507  1.0
  Yb  Yb4  1  0.999  0.506  0.259  1.0
  Yb  Yb5  1  0.001  0.494  0.759  1.0
  Yb  Yb6  1  0.499  0.994  0.759  1.0
  Yb  Yb7  1  0.501  0.006  0.259  1.0
  S  S8  1  0.183  0.805  0.673  1.0
  S  S9  1  0.817  0.195  0.173  1.0
  S  S10  1  0.683  0.695  0.173  1.0
  S  S11  1  0.317  0.305  0.673  1.0
  S  S12  1  0.186  0.815  0.339  1.0
  S  S13  1  0.814  0.185  0.839  1.0
  S  S14  1  0.686  0.685  0.839  1.0
  S  S15  1  0.314  0.315  0.339  1.0
  S  S16  1  0.188  0.589  0.007  1.0
  S  S17  1  0.812  0.411  0.507  1.0
  S  S18  1  0.688  0.911  0.507  1.0
  S  S19  1  0.312  0.089  0.007  1.0
[/CIF]
.
The material described by YbLaS3 crystallizes in the orthorhombic Pna2_1 space group. Yb(1) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form corner-sharing YbS6 octahedra. The corner-sharing octahedral tilt angles range from 40-68°. La(1) is bonded in a 8-coordinate geometry to two equivalent S(3), three equivalent S(1), and three equivalent S(2) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to two equivalent Yb(1) and three equivalent La(1) atoms. In the second S site, S(2) is bonded in a 5-coordinate geometry to two equivalent Yb(1) and three equivalent La(1) atoms. In the third S site, S(3) is bonded in a see-saw-like geometry to two equivalent Yb(1) and two equivalent La(1) atoms. is represented by the CIF file [CIF]
data_LaYbS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.160
_cell_length_b   7.784
_cell_length_c   8.949
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   498.756
_cell_formula_units_Z   4
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  0.477  0.600  0.507  1.0
  La  La1  1  0.523  0.400  0.007  1.0
  La  La2  1  0.977  0.900  0.007  1.0
  La  La3  1  0.023  0.100  0.507  1.0
  Yb  Yb4  1  0.999  0.506  0.259  1.0
  Yb  Yb5  1  0.001  0.494  0.759  1.0
  Yb  Yb6  1  0.499  0.994  0.759  1.0
  Yb  Yb7  1  0.501  0.006  0.259  1.0
  S  S8  1  0.183  0.805  0.673  1.0
  S  S9  1  0.817  0.195  0.173  1.0
  S  S10  1  0.683  0.695  0.173  1.0
  S  S11  1  0.317  0.305  0.673  1.0
  S  S12  1  0.186  0.815  0.339  1.0
  S  S13  1  0.814  0.185  0.839  1.0
  S  S14  1  0.686  0.685  0.839  1.0
  S  S15  1  0.314  0.315  0.339  1.0
  S  S16  1  0.188  0.589  0.007  1.0
  S  S17  1  0.812  0.411  0.507  1.0
  S  S18  1  0.688  0.911  0.507  1.0
  S  S19  1  0.312  0.089  0.007  1.0
[/CIF]
.