The material structure described by YbLaS3 crystallizes in the orthorhombic Cmcm space group. Yb(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form a mixture of edge and corner-sharing YbS6 octahedra. The corner-sharing octahedral tilt angles are 69°. La(1) is bonded in a 8-coordinate geometry to two equivalent S(1) and six equivalent S(2) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Yb(1) and two equivalent La(1) atoms to form SLa2Yb2 tetrahedra that share corners with eight equivalent S(2)La3Yb2 square pyramids, corners with four equivalent S(1)La2Yb2 tetrahedra, and edges with six equivalent S(2)La3Yb2 square pyramids. In the second S site, S(2) is bonded to two equivalent Yb(1) and three equivalent La(1) atoms to form distorted SLa3Yb2 square pyramids that share corners with nine equivalent S(2)La3Yb2 square pyramids, corners with four equivalent S(1)La2Yb2 tetrahedra, edges with six equivalent S(2)La3Yb2 square pyramids, and edges with three equivalent S(1)La2Yb2 tetrahedra. is represented by the CIF card [CIF]
data_LaYbS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.269
_cell_length_b   7.269
_cell_length_c   8.872
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   147.541
_symmetry_Int_Tables_number   1
_cell_volume   251.574
_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  0.253  0.747  0.750  1.0
  La  La1  1  0.747  0.253  0.250  1.0
  Yb  Yb2  1  0.000  0.000  0.000  1.0
  Yb  Yb3  1  0.000  0.000  0.500  1.0
  S  S4  1  0.109  0.891  0.250  1.0
  S  S5  1  0.891  0.109  0.750  1.0
  S  S6  1  0.637  0.363  0.585  1.0
  S  S7  1  0.363  0.637  0.415  1.0
  S  S8  1  0.637  0.363  0.915  1.0
  S  S9  1  0.363  0.637  0.085  1.0
[/CIF]
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The material structure described by YbLaS3 crystallizes in the orthorhombic Cmcm space group. Yb(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form a mixture of edge and corner-sharing YbS6 octahedra. The corner-sharing octahedral tilt angles are 69°. La(1) is bonded in a 8-coordinate geometry to two equivalent S(1) and six equivalent S(2) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Yb(1) and two equivalent La(1) atoms to form SLa2Yb2 tetrahedra that share corners with eight equivalent S(2)La3Yb2 square pyramids, corners with four equivalent S(1)La2Yb2 tetrahedra, and edges with six equivalent S(2)La3Yb2 square pyramids. In the second S site, S(2) is bonded to two equivalent Yb(1) and three equivalent La(1) atoms to form distorted SLa3Yb2 square pyramids that share corners with nine equivalent S(2)La3Yb2 square pyramids, corners with four equivalent S(1)La2Yb2 tetrahedra, edges with six equivalent S(2)La3Yb2 square pyramids, and edges with three equivalent S(1)La2Yb2 tetrahedra. is represented by the CIF card [CIF]
data_LaYbS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.269
_cell_length_b   7.269
_cell_length_c   8.872
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   147.541
_symmetry_Int_Tables_number   1
_cell_volume   251.574
_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  0.253  0.747  0.750  1.0
  La  La1  1  0.747  0.253  0.250  1.0
  Yb  Yb2  1  0.000  0.000  0.000  1.0
  Yb  Yb3  1  0.000  0.000  0.500  1.0
  S  S4  1  0.109  0.891  0.250  1.0
  S  S5  1  0.891  0.109  0.750  1.0
  S  S6  1  0.637  0.363  0.585  1.0
  S  S7  1  0.363  0.637  0.415  1.0
  S  S8  1  0.637  0.363  0.915  1.0
  S  S9  1  0.363  0.637  0.085  1.0
[/CIF]
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