The material structure described by Yb5S9 crystallizes in the triclinic P-1 space group. There are five inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 7-coordinate geometry to one S(1), one S(3), one S(5), one S(6), one S(7), and two equivalent S(2) atoms. In the second Yb site, Yb(2) is bonded in a 5-coordinate geometry to one S(1), one S(2), one S(4), one S(6), and two equivalent S(3) atoms. In the third Yb site, Yb(3) is bonded to one S(2), one S(3), one S(4), one S(9), and two equivalent S(5) atoms to form distorted edge-sharing YbS6 pentagonal pyramids. In the fourth Yb site, Yb(4) is bonded in a 7-coordinate geometry to one S(1), one S(3), one S(9), two equivalent S(6), and two equivalent S(7) atoms. In the fifth Yb site, Yb(5) is bonded in a 5-coordinate geometry to one S(1), one S(4), one S(5), one S(8), and two equivalent S(9) atoms. There are nine inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to one Yb(1), one Yb(2), one Yb(4), one Yb(5), and one S(8) atom. In the second S site, S(2) is bonded in a 5-coordinate geometry to one Yb(2), one Yb(3), two equivalent Yb(1), and one S(2) atom. In the third S site, S(3) is bonded to one Yb(1), one Yb(3), one Yb(4), and two equivalent Yb(2) atoms to form distorted SYb5 square pyramids that share  a cornercorner with one S(5)Yb4 tetrahedra, corners with three equivalent S(4)Yb3S trigonal pyramids,  an edgeedge with one S(3)Yb5 square pyramid, and  an edgeedge with one S(5)Yb4 tetrahedra. In the fourth S site, S(4) is bonded to one Yb(2), one Yb(3), one Yb(5), and one S(7) atom to form distorted SYb3S trigonal pyramids that share corners with three equivalent S(3)Yb5 square pyramids and corners with three equivalent S(5)Yb4 tetrahedra. In the fifth S site, S(5) is bonded to one Yb(1), one Yb(5), and two equivalent Yb(3) atoms to form distorted SYb4 tetrahedra that share  a cornercorner with one S(3)Yb5 square pyramid, corners with three equivalent S(4)Yb3S trigonal pyramids,  an edgeedge with one S(3)Yb5 square pyramid, and  an edgeedge with one S(5)Yb4 tetrahedra. In the sixth S site, S(6) is bonded in a 5-coordinate geometry to one Yb(1), one Yb(2), two equivalent Yb(4), and one S(9) atom. In the seventh S site, S(7) is bonded in a 4-coordinate geometry to one Yb(1), two equivalent Yb(4), and one S(4) atom. In the eighth S site, S(8) is bonded in a 3-coordinate geometry to one Yb(5), one S(1), and one S(8) atom. In the ninth S site, S(9) is bonded in a 5-coordinate geometry to one Yb(3), one Yb(4), two equivalent Yb(5), and one S(6) atom. is represented by the CIF file [CIF]
data_Yb5S9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.329
_cell_length_b   9.424
_cell_length_c   9.634
_cell_angle_alpha   76.157
_cell_angle_beta   69.984
_cell_angle_gamma   70.898
_symmetry_Int_Tables_number   1
_cell_volume   664.414
_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
  Yb  Yb0  1  0.677  0.180  0.813  1.0
  Yb  Yb1  1  0.882  0.829  0.041  1.0
  Yb  Yb2  1  0.554  0.672  0.843  1.0
  Yb  Yb3  1  0.446  0.328  0.157  1.0
  Yb  Yb4  1  0.118  0.171  0.959  1.0
  Yb  Yb5  1  0.760  0.006  0.391  1.0
  Yb  Yb6  1  0.323  0.820  0.187  1.0
  Yb  Yb7  1  0.256  0.526  0.648  1.0
  Yb  Yb8  1  0.744  0.474  0.352  1.0
  Yb  Yb9  1  0.240  0.994  0.609  1.0
  S  S10  1  0.969  0.307  0.728  1.0
  S  S11  1  0.596  0.916  0.939  1.0
  S  S12  1  0.215  0.874  0.912  1.0
  S  S13  1  0.917  0.690  0.799  1.0
  S  S14  1  0.083  0.310  0.201  1.0
  S  S15  1  0.416  0.440  0.864  1.0
  S  S16  1  0.584  0.560  0.136  1.0
  S  S17  1  0.404  0.084  0.061  1.0
  S  S18  1  0.510  0.873  0.362  1.0
  S  S19  1  0.785  0.126  0.088  1.0
  S  S20  1  0.043  0.122  0.362  1.0
  S  S21  1  0.980  0.624  0.500  1.0
  S  S22  1  0.031  0.693  0.272  1.0
  S  S23  1  0.020  0.376  0.500  1.0
  S  S24  1  0.506  0.695  0.548  1.0
  S  S25  1  0.494  0.305  0.452  1.0
  S  S26  1  0.490  0.127  0.638  1.0
  S  S27  1  0.957  0.878  0.638  1.0
[/CIF]
.
The material structure described by Yb5S9 crystallizes in the triclinic P-1 space group. There are five inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 7-coordinate geometry to one S(1), one S(3), one S(5), one S(6), one S(7), and two equivalent S(2) atoms. In the second Yb site, Yb(2) is bonded in a 5-coordinate geometry to one S(1), one S(2), one S(4), one S(6), and two equivalent S(3) atoms. In the third Yb site, Yb(3) is bonded to one S(2), one S(3), one S(4), one S(9), and two equivalent S(5) atoms to form distorted edge-sharing YbS6 pentagonal pyramids. In the fourth Yb site, Yb(4) is bonded in a 7-coordinate geometry to one S(1), one S(3), one S(9), two equivalent S(6), and two equivalent S(7) atoms. In the fifth Yb site, Yb(5) is bonded in a 5-coordinate geometry to one S(1), one S(4), one S(5), one S(8), and two equivalent S(9) atoms. There are nine inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to one Yb(1), one Yb(2), one Yb(4), one Yb(5), and one S(8) atom. In the second S site, S(2) is bonded in a 5-coordinate geometry to one Yb(2), one Yb(3), two equivalent Yb(1), and one S(2) atom. In the third S site, S(3) is bonded to one Yb(1), one Yb(3), one Yb(4), and two equivalent Yb(2) atoms to form distorted SYb5 square pyramids that share  a cornercorner with one S(5)Yb4 tetrahedra, corners with three equivalent S(4)Yb3S trigonal pyramids,  an edgeedge with one S(3)Yb5 square pyramid, and  an edgeedge with one S(5)Yb4 tetrahedra. In the fourth S site, S(4) is bonded to one Yb(2), one Yb(3), one Yb(5), and one S(7) atom to form distorted SYb3S trigonal pyramids that share corners with three equivalent S(3)Yb5 square pyramids and corners with three equivalent S(5)Yb4 tetrahedra. In the fifth S site, S(5) is bonded to one Yb(1), one Yb(5), and two equivalent Yb(3) atoms to form distorted SYb4 tetrahedra that share  a cornercorner with one S(3)Yb5 square pyramid, corners with three equivalent S(4)Yb3S trigonal pyramids,  an edgeedge with one S(3)Yb5 square pyramid, and  an edgeedge with one S(5)Yb4 tetrahedra. In the sixth S site, S(6) is bonded in a 5-coordinate geometry to one Yb(1), one Yb(2), two equivalent Yb(4), and one S(9) atom. In the seventh S site, S(7) is bonded in a 4-coordinate geometry to one Yb(1), two equivalent Yb(4), and one S(4) atom. In the eighth S site, S(8) is bonded in a 3-coordinate geometry to one Yb(5), one S(1), and one S(8) atom. In the ninth S site, S(9) is bonded in a 5-coordinate geometry to one Yb(3), one Yb(4), two equivalent Yb(5), and one S(6) atom. is represented by the CIF file [CIF]
data_Yb5S9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.329
_cell_length_b   9.424
_cell_length_c   9.634
_cell_angle_alpha   76.157
_cell_angle_beta   69.984
_cell_angle_gamma   70.898
_symmetry_Int_Tables_number   1
_cell_volume   664.414
_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
  Yb  Yb0  1  0.677  0.180  0.813  1.0
  Yb  Yb1  1  0.882  0.829  0.041  1.0
  Yb  Yb2  1  0.554  0.672  0.843  1.0
  Yb  Yb3  1  0.446  0.328  0.157  1.0
  Yb  Yb4  1  0.118  0.171  0.959  1.0
  Yb  Yb5  1  0.760  0.006  0.391  1.0
  Yb  Yb6  1  0.323  0.820  0.187  1.0
  Yb  Yb7  1  0.256  0.526  0.648  1.0
  Yb  Yb8  1  0.744  0.474  0.352  1.0
  Yb  Yb9  1  0.240  0.994  0.609  1.0
  S  S10  1  0.969  0.307  0.728  1.0
  S  S11  1  0.596  0.916  0.939  1.0
  S  S12  1  0.215  0.874  0.912  1.0
  S  S13  1  0.917  0.690  0.799  1.0
  S  S14  1  0.083  0.310  0.201  1.0
  S  S15  1  0.416  0.440  0.864  1.0
  S  S16  1  0.584  0.560  0.136  1.0
  S  S17  1  0.404  0.084  0.061  1.0
  S  S18  1  0.510  0.873  0.362  1.0
  S  S19  1  0.785  0.126  0.088  1.0
  S  S20  1  0.043  0.122  0.362  1.0
  S  S21  1  0.980  0.624  0.500  1.0
  S  S22  1  0.031  0.693  0.272  1.0
  S  S23  1  0.020  0.376  0.500  1.0
  S  S24  1  0.506  0.695  0.548  1.0
  S  S25  1  0.494  0.305  0.452  1.0
  S  S26  1  0.490  0.127  0.638  1.0
  S  S27  1  0.957  0.878  0.638  1.0
[/CIF]
.