The crystal structure described by Yb4PbS8 crystallizes in the monoclinic Pm space group. There are eight inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 8-coordinate geometry to one S(1), one S(6), one S(7), one S(8), two equivalent S(12), and two equivalent S(15) atoms. In the second Yb site, Yb(2) is bonded in a 6-coordinate geometry to one S(3), one S(8), two equivalent S(11), and two equivalent S(14) atoms. In the third Yb site, Yb(3) is bonded to one S(3), one S(4), one S(6), one S(7), and two equivalent S(15) atoms to form distorted corner-sharing YbS6 octahedra. The corner-sharing octahedral tilt angles are 65°. In the fourth Yb site, Yb(4) is bonded in a 7-coordinate geometry to one S(1), one S(2), one S(7), two equivalent S(10), and two equivalent S(13) atoms. In the fifth Yb site, Yb(5) is bonded in a 6-coordinate geometry to one S(11), one S(9), two equivalent S(3), and two equivalent S(6) atoms. In the sixth Yb site, Yb(6) is bonded in a 5-coordinate geometry to one S(13), one S(14), one S(16), one S(9), two equivalent S(2), and two equivalent S(5) atoms. In the seventh Yb site, Yb(7) is bonded in a 7-coordinate geometry to one S(13), one S(15), one S(16), two equivalent S(4), and two equivalent S(7) atoms. In the eighth Yb site, Yb(8) is bonded in a 6-coordinate geometry to one S(10), one S(11), one S(13), one S(14), and two equivalent S(2) atoms. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a distorted T-shaped geometry to one S(2) and two equivalent S(16) atoms. In the second Pb site, Pb(2) is bonded in a distorted T-shaped geometry to one S(15) and two equivalent S(1) atoms. There are sixteen inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to one Yb(1), one Yb(4), two equivalent Pb(2), one S(4), and one S(7) atom. In the second S site, S(2) is bonded in a distorted hexagonal planar geometry to one Yb(4), two equivalent Yb(6), two equivalent Yb(8), and one Pb(1) atom. In the third S site, S(3) is bonded in a 6-coordinate geometry to one Yb(2), one Yb(3), two equivalent Yb(5), one S(6), and one S(8) atom. In the fourth S site, S(4) is bonded in a 3-coordinate geometry to one Yb(3), two equivalent Yb(7), one S(1), and one S(7) atom. In the fifth S site, S(5) is bonded in a 4-coordinate geometry to two equivalent Yb(6) and two equivalent S(9) atoms. In the sixth S site, S(6) is bonded in a 6-coordinate geometry to one Yb(1), one Yb(3), two equivalent Yb(5), one S(3), and one S(8) atom. In the seventh S site, S(7) is bonded in a 7-coordinate geometry to one Yb(1), one Yb(3), one Yb(4), two equivalent Yb(7), one S(1), and one S(4) atom. In the eighth S site, S(8) is bonded in a distorted linear geometry to one Yb(1), one Yb(2), one S(3), one S(6), and two equivalent S(12) atoms. In the ninth S site, S(9) is bonded in a 6-coordinate geometry to one Yb(5), one Yb(6), one S(11), one S(14), and two equivalent S(5) atoms. In the tenth S site, S(10) is bonded in a 3-coordinate geometry to one Yb(8), two equivalent Yb(4), one S(13), and one S(16) atom. In the eleventh S site, S(11) is bonded in a 6-coordinate geometry to one Yb(5), one Yb(8), two equivalent Yb(2), one S(14), and one S(9) atom. In the twelfth S site, S(12) is bonded in a 4-coordinate geometry to two equivalent Yb(1) and two equivalent S(8) atoms. In the thirteenth S site, S(13) is bonded in a 7-coordinate geometry to one Yb(6), one Yb(7), one Yb(8), two equivalent Yb(4), one S(10), and one S(16) atom. In the fourteenth S site, S(14) is bonded in a 6-coordinate geometry to one Yb(6), one Yb(8), two equivalent Yb(2), one S(11), and one S(9) atom. In the fifteenth S site, S(15) is bonded in a distorted hexagonal planar geometry to one Yb(7), two equivalent Yb(1), two equivalent Yb(3), and one Pb(2) atom. In the sixteenth S site, S(16) is bonded in a 6-coordinate geometry to one Yb(6), one Yb(7), two equivalent Pb(1), one S(10), and one S(13) atom. is represented by the CIF card [CIF]
data_Yb4PbS8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.907
_cell_length_b   7.492
_cell_length_c   16.900
_cell_angle_alpha   77.365
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   606.276
_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  0.250  0.118  0.758  1.0
  Yb  Yb1  1  0.250  0.653  0.051  1.0
  Yb  Yb2  1  0.250  0.525  0.749  1.0
  Yb  Yb3  1  0.250  0.373  0.444  1.0
  Yb  Yb4  1  0.750  0.342  0.948  1.0
  Yb  Yb5  1  0.750  0.877  0.242  1.0
  Yb  Yb6  1  0.750  0.620  0.555  1.0
  Yb  Yb7  1  0.750  0.469  0.250  1.0
  Pb  Pb8  1  0.250  0.888  0.398  1.0
  Pb  Pb9  1  0.750  0.104  0.601  1.0
  S  S10  1  0.250  0.092  0.596  1.0
  S  S11  1  0.250  0.637  0.291  1.0
  S  S12  1  0.250  0.567  0.900  1.0
  S  S13  1  0.250  0.755  0.597  1.0
  S  S14  1  0.250  0.094  0.137  1.0
  S  S15  1  0.250  0.233  0.895  1.0
  S  S16  1  0.250  0.432  0.596  1.0
  S  S17  1  0.250  0.893  0.897  1.0
  S  S18  1  0.750  0.111  0.104  1.0
  S  S19  1  0.750  0.238  0.402  1.0
  S  S20  1  0.750  0.438  0.098  1.0
  S  S21  1  0.750  0.919  0.866  1.0
  S  S22  1  0.750  0.561  0.402  1.0
  S  S23  1  0.750  0.770  0.103  1.0
  S  S24  1  0.750  0.358  0.707  1.0
  S  S25  1  0.750  0.901  0.403  1.0
[/CIF]
.
The crystal structure described by Yb4PbS8 crystallizes in the monoclinic Pm space group. There are eight inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 8-coordinate geometry to one S(1), one S(6), one S(7), one S(8), two equivalent S(12), and two equivalent S(15) atoms. In the second Yb site, Yb(2) is bonded in a 6-coordinate geometry to one S(3), one S(8), two equivalent S(11), and two equivalent S(14) atoms. In the third Yb site, Yb(3) is bonded to one S(3), one S(4), one S(6), one S(7), and two equivalent S(15) atoms to form distorted corner-sharing YbS6 octahedra. The corner-sharing octahedral tilt angles are 65°. In the fourth Yb site, Yb(4) is bonded in a 7-coordinate geometry to one S(1), one S(2), one S(7), two equivalent S(10), and two equivalent S(13) atoms. In the fifth Yb site, Yb(5) is bonded in a 6-coordinate geometry to one S(11), one S(9), two equivalent S(3), and two equivalent S(6) atoms. In the sixth Yb site, Yb(6) is bonded in a 5-coordinate geometry to one S(13), one S(14), one S(16), one S(9), two equivalent S(2), and two equivalent S(5) atoms. In the seventh Yb site, Yb(7) is bonded in a 7-coordinate geometry to one S(13), one S(15), one S(16), two equivalent S(4), and two equivalent S(7) atoms. In the eighth Yb site, Yb(8) is bonded in a 6-coordinate geometry to one S(10), one S(11), one S(13), one S(14), and two equivalent S(2) atoms. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a distorted T-shaped geometry to one S(2) and two equivalent S(16) atoms. In the second Pb site, Pb(2) is bonded in a distorted T-shaped geometry to one S(15) and two equivalent S(1) atoms. There are sixteen inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to one Yb(1), one Yb(4), two equivalent Pb(2), one S(4), and one S(7) atom. In the second S site, S(2) is bonded in a distorted hexagonal planar geometry to one Yb(4), two equivalent Yb(6), two equivalent Yb(8), and one Pb(1) atom. In the third S site, S(3) is bonded in a 6-coordinate geometry to one Yb(2), one Yb(3), two equivalent Yb(5), one S(6), and one S(8) atom. In the fourth S site, S(4) is bonded in a 3-coordinate geometry to one Yb(3), two equivalent Yb(7), one S(1), and one S(7) atom. In the fifth S site, S(5) is bonded in a 4-coordinate geometry to two equivalent Yb(6) and two equivalent S(9) atoms. In the sixth S site, S(6) is bonded in a 6-coordinate geometry to one Yb(1), one Yb(3), two equivalent Yb(5), one S(3), and one S(8) atom. In the seventh S site, S(7) is bonded in a 7-coordinate geometry to one Yb(1), one Yb(3), one Yb(4), two equivalent Yb(7), one S(1), and one S(4) atom. In the eighth S site, S(8) is bonded in a distorted linear geometry to one Yb(1), one Yb(2), one S(3), one S(6), and two equivalent S(12) atoms. In the ninth S site, S(9) is bonded in a 6-coordinate geometry to one Yb(5), one Yb(6), one S(11), one S(14), and two equivalent S(5) atoms. In the tenth S site, S(10) is bonded in a 3-coordinate geometry to one Yb(8), two equivalent Yb(4), one S(13), and one S(16) atom. In the eleventh S site, S(11) is bonded in a 6-coordinate geometry to one Yb(5), one Yb(8), two equivalent Yb(2), one S(14), and one S(9) atom. In the twelfth S site, S(12) is bonded in a 4-coordinate geometry to two equivalent Yb(1) and two equivalent S(8) atoms. In the thirteenth S site, S(13) is bonded in a 7-coordinate geometry to one Yb(6), one Yb(7), one Yb(8), two equivalent Yb(4), one S(10), and one S(16) atom. In the fourteenth S site, S(14) is bonded in a 6-coordinate geometry to one Yb(6), one Yb(8), two equivalent Yb(2), one S(11), and one S(9) atom. In the fifteenth S site, S(15) is bonded in a distorted hexagonal planar geometry to one Yb(7), two equivalent Yb(1), two equivalent Yb(3), and one Pb(2) atom. In the sixteenth S site, S(16) is bonded in a 6-coordinate geometry to one Yb(6), one Yb(7), two equivalent Pb(1), one S(10), and one S(13) atom. is represented by the CIF card [CIF]
data_Yb4PbS8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.907
_cell_length_b   7.492
_cell_length_c   16.900
_cell_angle_alpha   77.365
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   606.276
_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  0.250  0.118  0.758  1.0
  Yb  Yb1  1  0.250  0.653  0.051  1.0
  Yb  Yb2  1  0.250  0.525  0.749  1.0
  Yb  Yb3  1  0.250  0.373  0.444  1.0
  Yb  Yb4  1  0.750  0.342  0.948  1.0
  Yb  Yb5  1  0.750  0.877  0.242  1.0
  Yb  Yb6  1  0.750  0.620  0.555  1.0
  Yb  Yb7  1  0.750  0.469  0.250  1.0
  Pb  Pb8  1  0.250  0.888  0.398  1.0
  Pb  Pb9  1  0.750  0.104  0.601  1.0
  S  S10  1  0.250  0.092  0.596  1.0
  S  S11  1  0.250  0.637  0.291  1.0
  S  S12  1  0.250  0.567  0.900  1.0
  S  S13  1  0.250  0.755  0.597  1.0
  S  S14  1  0.250  0.094  0.137  1.0
  S  S15  1  0.250  0.233  0.895  1.0
  S  S16  1  0.250  0.432  0.596  1.0
  S  S17  1  0.250  0.893  0.897  1.0
  S  S18  1  0.750  0.111  0.104  1.0
  S  S19  1  0.750  0.238  0.402  1.0
  S  S20  1  0.750  0.438  0.098  1.0
  S  S21  1  0.750  0.919  0.866  1.0
  S  S22  1  0.750  0.561  0.402  1.0
  S  S23  1  0.750  0.770  0.103  1.0
  S  S24  1  0.750  0.358  0.707  1.0
  S  S25  1  0.750  0.901  0.403  1.0
[/CIF]
.