The material described by Yb2S3 crystallizes in the orthorhombic Cmc2_1 space group. There are four inequivalent Yb sites. In the first Yb site, Yb(1) is bonded to one S(1), one S(3), two equivalent S(2), and two equivalent S(4) atoms to form a mixture of distorted face, edge, and corner-sharing YbS6 octahedra. In the second Yb site, Yb(2) is bonded to one S(3), one S(5), two equivalent S(2), and two equivalent S(4) atoms to form a mixture of distorted face, edge, and corner-sharing YbS6 octahedra. In the third Yb site, Yb(3) is bonded in a 7-coordinate geometry to one S(1), one S(3), one S(5), two equivalent S(4), and two equivalent S(6) atoms. In the fourth Yb site, Yb(4) is bonded to one S(1), one S(5), two equivalent S(2), and two equivalent S(6) atoms to form distorted YbS6 pentagonal pyramids that share  a cornercorner with one Yb(2)S6 octahedra, corners with three equivalent Yb(1)S6 octahedra, corners with two equivalent S(4)Yb4S square pyramids,  an edgeedge with one Yb(2)S6 octahedra, and edges with three equivalent Yb(4)S6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 51-74°. There are six inequivalent S sites. In the first S site, S(5) is bonded to one Yb(2), two equivalent Yb(3), and two equivalent Yb(4) atoms to form distorted SYb5 trigonal bipyramids that share corners with two equivalent S(4)Yb4S square pyramids, corners with two equivalent S(2)Yb4 trigonal pyramids, edges with two equivalent S(4)Yb4S square pyramids, edges with two equivalent S(1)Yb5 trigonal bipyramids, and edges with two equivalent S(2)Yb4 trigonal pyramids. In the second S site, S(6) is bonded in a 5-coordinate geometry to two equivalent Yb(3), two equivalent Yb(4), and one S(4) atom. In the third S site, S(1) is bonded to one Yb(1), two equivalent Yb(3), and two equivalent Yb(4) atoms to form distorted SYb5 trigonal bipyramids that share corners with two equivalent S(4)Yb4S square pyramids, corners with six equivalent S(2)Yb4 trigonal pyramids, edges with two equivalent S(4)Yb4S square pyramids, and edges with two equivalent S(5)Yb5 trigonal bipyramids. In the fourth S site, S(2) is bonded to one Yb(1), one Yb(2), and two equivalent Yb(4) atoms to form distorted SYb4 trigonal pyramids that share corners with four equivalent S(4)Yb4S square pyramids,  a cornercorner with one S(5)Yb5 trigonal bipyramid, corners with three equivalent S(1)Yb5 trigonal bipyramids, corners with two equivalent S(2)Yb4 trigonal pyramids,  an edgeedge with one S(5)Yb5 trigonal bipyramid, and  an edgeedge with one S(2)Yb4 trigonal pyramid. In the fifth S site, S(3) is bonded in a distorted rectangular see-saw-like geometry to one Yb(1), one Yb(2), and two equivalent Yb(3) atoms. In the sixth S site, S(4) is bonded to one Yb(1), one Yb(2), two equivalent Yb(3), and one S(6) atom to form distorted SYb4S square pyramids that share corners with two equivalent Yb(4)S6 pentagonal pyramids, corners with two equivalent S(4)Yb4S square pyramids,  a cornercorner with one S(1)Yb5 trigonal bipyramid,  a cornercorner with one S(5)Yb5 trigonal bipyramid, corners with four equivalent S(2)Yb4 trigonal pyramids,  an edgeedge with one S(4)Yb4S square pyramid,  an edgeedge with one S(1)Yb5 trigonal bipyramid, and  an edgeedge with one S(5)Yb5 trigonal bipyramid. is represented by the CIF file [CIF]
data_Yb2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.385
_cell_length_b   7.385
_cell_length_c   15.314
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.988
_symmetry_Int_Tables_number   1
_cell_volume   723.414
_cell_formula_units_Z   6
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
  Yb  Yb0  1  0.979  0.979  0.449  1.0
  Yb  Yb1  1  0.021  0.021  0.949  1.0
  Yb  Yb2  1  0.103  0.103  0.214  1.0
  Yb  Yb3  1  0.897  0.897  0.714  1.0
  Yb  Yb4  1  0.628  0.348  0.541  1.0
  Yb  Yb5  1  0.348  0.628  0.541  1.0
  Yb  Yb6  1  0.372  0.652  0.041  1.0
  Yb  Yb7  1  0.652  0.372  0.041  1.0
  Yb  Yb8  1  0.658  0.337  0.295  1.0
  Yb  Yb9  1  0.337  0.658  0.295  1.0
  Yb  Yb10  1  0.342  0.663  0.795  1.0
  Yb  Yb11  1  0.663  0.342  0.795  1.0
  S  S12  1  0.606  0.606  0.410  1.0
  S  S13  1  0.298  0.990  0.358  1.0
  S  S14  1  0.990  0.298  0.358  1.0
  S  S15  1  0.394  0.394  0.910  1.0
  S  S16  1  0.702  0.010  0.858  1.0
  S  S17  1  0.010  0.702  0.858  1.0
  S  S18  1  0.804  0.804  0.103  1.0
  S  S19  1  0.290  0.979  0.069  1.0
  S  S20  1  0.979  0.290  0.069  1.0
  S  S21  1  0.196  0.196  0.603  1.0
  S  S22  1  0.710  0.021  0.569  1.0
  S  S23  1  0.021  0.710  0.569  1.0
  S  S24  1  0.463  0.463  0.177  1.0
  S  S25  1  0.509  0.997  0.157  1.0
  S  S26  1  0.997  0.509  0.157  1.0
  S  S27  1  0.537  0.537  0.677  1.0
  S  S28  1  0.491  0.003  0.657  1.0
  S  S29  1  0.003  0.491  0.657  1.0
[/CIF]
.
The material described by Yb2S3 crystallizes in the orthorhombic Cmc2_1 space group. There are four inequivalent Yb sites. In the first Yb site, Yb(1) is bonded to one S(1), one S(3), two equivalent S(2), and two equivalent S(4) atoms to form a mixture of distorted face, edge, and corner-sharing YbS6 octahedra. In the second Yb site, Yb(2) is bonded to one S(3), one S(5), two equivalent S(2), and two equivalent S(4) atoms to form a mixture of distorted face, edge, and corner-sharing YbS6 octahedra. In the third Yb site, Yb(3) is bonded in a 7-coordinate geometry to one S(1), one S(3), one S(5), two equivalent S(4), and two equivalent S(6) atoms. In the fourth Yb site, Yb(4) is bonded to one S(1), one S(5), two equivalent S(2), and two equivalent S(6) atoms to form distorted YbS6 pentagonal pyramids that share  a cornercorner with one Yb(2)S6 octahedra, corners with three equivalent Yb(1)S6 octahedra, corners with two equivalent S(4)Yb4S square pyramids,  an edgeedge with one Yb(2)S6 octahedra, and edges with three equivalent Yb(4)S6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 51-74°. There are six inequivalent S sites. In the first S site, S(5) is bonded to one Yb(2), two equivalent Yb(3), and two equivalent Yb(4) atoms to form distorted SYb5 trigonal bipyramids that share corners with two equivalent S(4)Yb4S square pyramids, corners with two equivalent S(2)Yb4 trigonal pyramids, edges with two equivalent S(4)Yb4S square pyramids, edges with two equivalent S(1)Yb5 trigonal bipyramids, and edges with two equivalent S(2)Yb4 trigonal pyramids. In the second S site, S(6) is bonded in a 5-coordinate geometry to two equivalent Yb(3), two equivalent Yb(4), and one S(4) atom. In the third S site, S(1) is bonded to one Yb(1), two equivalent Yb(3), and two equivalent Yb(4) atoms to form distorted SYb5 trigonal bipyramids that share corners with two equivalent S(4)Yb4S square pyramids, corners with six equivalent S(2)Yb4 trigonal pyramids, edges with two equivalent S(4)Yb4S square pyramids, and edges with two equivalent S(5)Yb5 trigonal bipyramids. In the fourth S site, S(2) is bonded to one Yb(1), one Yb(2), and two equivalent Yb(4) atoms to form distorted SYb4 trigonal pyramids that share corners with four equivalent S(4)Yb4S square pyramids,  a cornercorner with one S(5)Yb5 trigonal bipyramid, corners with three equivalent S(1)Yb5 trigonal bipyramids, corners with two equivalent S(2)Yb4 trigonal pyramids,  an edgeedge with one S(5)Yb5 trigonal bipyramid, and  an edgeedge with one S(2)Yb4 trigonal pyramid. In the fifth S site, S(3) is bonded in a distorted rectangular see-saw-like geometry to one Yb(1), one Yb(2), and two equivalent Yb(3) atoms. In the sixth S site, S(4) is bonded to one Yb(1), one Yb(2), two equivalent Yb(3), and one S(6) atom to form distorted SYb4S square pyramids that share corners with two equivalent Yb(4)S6 pentagonal pyramids, corners with two equivalent S(4)Yb4S square pyramids,  a cornercorner with one S(1)Yb5 trigonal bipyramid,  a cornercorner with one S(5)Yb5 trigonal bipyramid, corners with four equivalent S(2)Yb4 trigonal pyramids,  an edgeedge with one S(4)Yb4S square pyramid,  an edgeedge with one S(1)Yb5 trigonal bipyramid, and  an edgeedge with one S(5)Yb5 trigonal bipyramid. is represented by the CIF file [CIF]
data_Yb2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.385
_cell_length_b   7.385
_cell_length_c   15.314
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.988
_symmetry_Int_Tables_number   1
_cell_volume   723.414
_cell_formula_units_Z   6
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
  Yb  Yb0  1  0.979  0.979  0.449  1.0
  Yb  Yb1  1  0.021  0.021  0.949  1.0
  Yb  Yb2  1  0.103  0.103  0.214  1.0
  Yb  Yb3  1  0.897  0.897  0.714  1.0
  Yb  Yb4  1  0.628  0.348  0.541  1.0
  Yb  Yb5  1  0.348  0.628  0.541  1.0
  Yb  Yb6  1  0.372  0.652  0.041  1.0
  Yb  Yb7  1  0.652  0.372  0.041  1.0
  Yb  Yb8  1  0.658  0.337  0.295  1.0
  Yb  Yb9  1  0.337  0.658  0.295  1.0
  Yb  Yb10  1  0.342  0.663  0.795  1.0
  Yb  Yb11  1  0.663  0.342  0.795  1.0
  S  S12  1  0.606  0.606  0.410  1.0
  S  S13  1  0.298  0.990  0.358  1.0
  S  S14  1  0.990  0.298  0.358  1.0
  S  S15  1  0.394  0.394  0.910  1.0
  S  S16  1  0.702  0.010  0.858  1.0
  S  S17  1  0.010  0.702  0.858  1.0
  S  S18  1  0.804  0.804  0.103  1.0
  S  S19  1  0.290  0.979  0.069  1.0
  S  S20  1  0.979  0.290  0.069  1.0
  S  S21  1  0.196  0.196  0.603  1.0
  S  S22  1  0.710  0.021  0.569  1.0
  S  S23  1  0.021  0.710  0.569  1.0
  S  S24  1  0.463  0.463  0.177  1.0
  S  S25  1  0.509  0.997  0.157  1.0
  S  S26  1  0.997  0.509  0.157  1.0
  S  S27  1  0.537  0.537  0.677  1.0
  S  S28  1  0.491  0.003  0.657  1.0
  S  S29  1  0.003  0.491  0.657  1.0
[/CIF]
.