The material structure described by La(YbS2)3 crystallizes in the monoclinic P2_1/m space group. There are three inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 6-coordinate geometry to one S(2), two equivalent S(6), and three equivalent S(1) atoms. In the second Yb site, Yb(2) is bonded to one S(1), two equivalent S(5), and three equivalent S(3) atoms to form YbS6 octahedra that share corners with three equivalent Yb(3)S5 square pyramids and edges with four equivalent Yb(2)S6 octahedra. In the third Yb site, Yb(3) is bonded to one S(3), two equivalent S(2), and two equivalent S(4) atoms to form distorted YbS5 square pyramids that share corners with three equivalent Yb(2)S6 octahedra and edges with two equivalent Yb(3)S5 square pyramids. The corner-sharing octahedral tilt angles range from 56-71°. La(1) is bonded in a 8-coordinate geometry to one S(2), two equivalent S(4), two equivalent S(5), and three equivalent S(6) atoms. There are six inequivalent S sites. In the first S site, S(1) is bonded to one Yb(2) and three equivalent Yb(1) atoms to form SYb4 tetrahedra that share corners with two equivalent S(1)Yb4 tetrahedra, corners with three equivalent S(2)LaYb3 tetrahedra, corners with four equivalent S(6)La3Yb2 trigonal bipyramids, corners with three equivalent S(3)Yb4 trigonal pyramids, edges with two equivalent S(1)Yb4 tetrahedra, and  an edgeedge with one S(6)La3Yb2 trigonal bipyramid. In the second S site, S(2) is bonded to one Yb(1), two equivalent Yb(3), and one La(1) atom to form SLaYb3 tetrahedra that share corners with two equivalent S(2)LaYb3 tetrahedra, corners with three equivalent S(1)Yb4 tetrahedra,  a cornercorner with one S(6)La3Yb2 trigonal bipyramid, corners with two equivalent S(3)Yb4 trigonal pyramids, and edges with two equivalent S(6)La3Yb2 trigonal bipyramids. In the third S site, S(3) is bonded to one Yb(3) and three equivalent Yb(2) atoms to form SYb4 trigonal pyramids that share corners with two equivalent S(2)LaYb3 tetrahedra, corners with three equivalent S(1)Yb4 tetrahedra, corners with two equivalent S(3)Yb4 trigonal pyramids, and edges with two equivalent S(3)Yb4 trigonal pyramids. In the fourth S site, S(4) is bonded in a 5-coordinate geometry to two equivalent Yb(3), two equivalent La(1), and one S(5) atom. In the fifth S site, S(5) is bonded in a 5-coordinate geometry to two equivalent Yb(2), two equivalent La(1), and one S(4) atom. In the sixth S site, S(6) is bonded to two equivalent Yb(1) and three equivalent La(1) atoms to form distorted SLa3Yb2 trigonal bipyramids that share  a cornercorner with one S(2)LaYb3 tetrahedra, corners with four equivalent S(1)Yb4 tetrahedra,  an edgeedge with one S(1)Yb4 tetrahedra, edges with two equivalent S(2)LaYb3 tetrahedra, and edges with four equivalent S(6)La3Yb2 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_La(YbS2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.160
_cell_length_b   11.238
_cell_length_c   11.522
_cell_angle_alpha   74.826
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   519.849
_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  0.250  0.818  0.537  1.0
  La  La1  1  0.750  0.182  0.463  1.0
  Yb  Yb2  1  0.250  0.949  0.204  1.0
  Yb  Yb3  1  0.750  0.051  0.796  1.0
  Yb  Yb4  1  0.250  0.655  0.939  1.0
  Yb  Yb5  1  0.750  0.344  0.061  1.0
  Yb  Yb6  1  0.250  0.426  0.687  1.0
  Yb  Yb7  1  0.750  0.574  0.313  1.0
  S  S8  1  0.250  0.927  0.962  1.0
  S  S9  1  0.750  0.073  0.038  1.0
  S  S10  1  0.250  0.714  0.337  1.0
  S  S11  1  0.750  0.286  0.663  1.0
  S  S12  1  0.250  0.419  0.915  1.0
  S  S13  1  0.750  0.581  0.085  1.0
  S  S14  1  0.250  0.380  0.380  1.0
  S  S15  1  0.750  0.620  0.620  1.0
  S  S16  1  0.250  0.263  0.264  1.0
  S  S17  1  0.750  0.737  0.736  1.0
  S  S18  1  0.250  0.040  0.620  1.0
  S  S19  1  0.750  0.960  0.380  1.0
[/CIF]
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The material structure described by La(YbS2)3 crystallizes in the monoclinic P2_1/m space group. There are three inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 6-coordinate geometry to one S(2), two equivalent S(6), and three equivalent S(1) atoms. In the second Yb site, Yb(2) is bonded to one S(1), two equivalent S(5), and three equivalent S(3) atoms to form YbS6 octahedra that share corners with three equivalent Yb(3)S5 square pyramids and edges with four equivalent Yb(2)S6 octahedra. In the third Yb site, Yb(3) is bonded to one S(3), two equivalent S(2), and two equivalent S(4) atoms to form distorted YbS5 square pyramids that share corners with three equivalent Yb(2)S6 octahedra and edges with two equivalent Yb(3)S5 square pyramids. The corner-sharing octahedral tilt angles range from 56-71°. La(1) is bonded in a 8-coordinate geometry to one S(2), two equivalent S(4), two equivalent S(5), and three equivalent S(6) atoms. There are six inequivalent S sites. In the first S site, S(1) is bonded to one Yb(2) and three equivalent Yb(1) atoms to form SYb4 tetrahedra that share corners with two equivalent S(1)Yb4 tetrahedra, corners with three equivalent S(2)LaYb3 tetrahedra, corners with four equivalent S(6)La3Yb2 trigonal bipyramids, corners with three equivalent S(3)Yb4 trigonal pyramids, edges with two equivalent S(1)Yb4 tetrahedra, and  an edgeedge with one S(6)La3Yb2 trigonal bipyramid. In the second S site, S(2) is bonded to one Yb(1), two equivalent Yb(3), and one La(1) atom to form SLaYb3 tetrahedra that share corners with two equivalent S(2)LaYb3 tetrahedra, corners with three equivalent S(1)Yb4 tetrahedra,  a cornercorner with one S(6)La3Yb2 trigonal bipyramid, corners with two equivalent S(3)Yb4 trigonal pyramids, and edges with two equivalent S(6)La3Yb2 trigonal bipyramids. In the third S site, S(3) is bonded to one Yb(3) and three equivalent Yb(2) atoms to form SYb4 trigonal pyramids that share corners with two equivalent S(2)LaYb3 tetrahedra, corners with three equivalent S(1)Yb4 tetrahedra, corners with two equivalent S(3)Yb4 trigonal pyramids, and edges with two equivalent S(3)Yb4 trigonal pyramids. In the fourth S site, S(4) is bonded in a 5-coordinate geometry to two equivalent Yb(3), two equivalent La(1), and one S(5) atom. In the fifth S site, S(5) is bonded in a 5-coordinate geometry to two equivalent Yb(2), two equivalent La(1), and one S(4) atom. In the sixth S site, S(6) is bonded to two equivalent Yb(1) and three equivalent La(1) atoms to form distorted SLa3Yb2 trigonal bipyramids that share  a cornercorner with one S(2)LaYb3 tetrahedra, corners with four equivalent S(1)Yb4 tetrahedra,  an edgeedge with one S(1)Yb4 tetrahedra, edges with two equivalent S(2)LaYb3 tetrahedra, and edges with four equivalent S(6)La3Yb2 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_La(YbS2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.160
_cell_length_b   11.238
_cell_length_c   11.522
_cell_angle_alpha   74.826
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   519.849
_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  0.250  0.818  0.537  1.0
  La  La1  1  0.750  0.182  0.463  1.0
  Yb  Yb2  1  0.250  0.949  0.204  1.0
  Yb  Yb3  1  0.750  0.051  0.796  1.0
  Yb  Yb4  1  0.250  0.655  0.939  1.0
  Yb  Yb5  1  0.750  0.344  0.061  1.0
  Yb  Yb6  1  0.250  0.426  0.687  1.0
  Yb  Yb7  1  0.750  0.574  0.313  1.0
  S  S8  1  0.250  0.927  0.962  1.0
  S  S9  1  0.750  0.073  0.038  1.0
  S  S10  1  0.250  0.714  0.337  1.0
  S  S11  1  0.750  0.286  0.663  1.0
  S  S12  1  0.250  0.419  0.915  1.0
  S  S13  1  0.750  0.581  0.085  1.0
  S  S14  1  0.250  0.380  0.380  1.0
  S  S15  1  0.750  0.620  0.620  1.0
  S  S16  1  0.250  0.263  0.264  1.0
  S  S17  1  0.750  0.737  0.736  1.0
  S  S18  1  0.250  0.040  0.620  1.0
  S  S19  1  0.750  0.960  0.380  1.0
[/CIF]
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