The material structure described by YbMo6S8 crystallizes in the triclinic P-1 space group. Yb(1) is bonded in a 8-coordinate geometry to two equivalent Mo(3), two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 4-coordinate geometry to one Mo(3), one S(1), one S(3), and two equivalent S(4) atoms. In the second Mo site, Mo(2) is bonded in a 4-coordinate geometry to one Mo(3), one S(1), one S(4), and two equivalent S(2) atoms. In the third Mo site, Mo(3) is bonded in a 8-coordinate geometry to one Yb(1), one Mo(1), one Mo(2), one Mo(3), one S(2), one S(3), and two equivalent S(4) atoms. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 3-coordinate geometry to one Yb(1), one Mo(1), and one Mo(2) atom. In the second S site, S(2) is bonded in a 4-coordinate geometry to one Yb(1), one Mo(3), and two equivalent Mo(2) atoms. In the third S site, S(3) is bonded in a 3-coordinate geometry to one Yb(1), one Mo(1), and one Mo(3) atom. In the fourth S site, S(4) is bonded in a 5-coordinate geometry to one Mo(2), two equivalent Mo(1), and two equivalent Mo(3) atoms. is represented by the CIF file [CIF]
data_Yb(Mo3S4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.768
_cell_length_b   6.603
_cell_length_c   11.600
_cell_angle_alpha   38.872
_cell_angle_beta   145.304
_cell_angle_gamma   130.076
_symmetry_Int_Tables_number   1
_cell_volume   294.598
_cell_formula_units_Z   1
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  0.000  0.000  0.000  1.0
  Mo  Mo1  1  0.186  0.042  0.793  1.0
  Mo  Mo2  1  0.385  0.632  0.268  1.0
  Mo  Mo3  1  0.369  0.306  0.008  1.0
  Mo  Mo4  1  0.814  0.958  0.207  1.0
  Mo  Mo5  1  0.615  0.368  0.732  1.0
  Mo  Mo6  1  0.631  0.694  0.992  1.0
  S  S7  1  0.089  0.368  0.237  1.0
  S  S8  1  0.449  0.898  0.387  1.0
  S  S9  1  0.979  0.511  0.363  1.0
  S  S10  1  0.911  0.632  0.763  1.0
  S  S11  1  0.551  0.102  0.613  1.0
  S  S12  1  0.021  0.489  0.637  1.0
  S  S13  1  0.438  0.685  0.055  1.0
  S  S14  1  0.562  0.315  0.945  1.0
[/CIF]
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The material structure described by YbMo6S8 crystallizes in the triclinic P-1 space group. Yb(1) is bonded in a 8-coordinate geometry to two equivalent Mo(3), two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 4-coordinate geometry to one Mo(3), one S(1), one S(3), and two equivalent S(4) atoms. In the second Mo site, Mo(2) is bonded in a 4-coordinate geometry to one Mo(3), one S(1), one S(4), and two equivalent S(2) atoms. In the third Mo site, Mo(3) is bonded in a 8-coordinate geometry to one Yb(1), one Mo(1), one Mo(2), one Mo(3), one S(2), one S(3), and two equivalent S(4) atoms. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 3-coordinate geometry to one Yb(1), one Mo(1), and one Mo(2) atom. In the second S site, S(2) is bonded in a 4-coordinate geometry to one Yb(1), one Mo(3), and two equivalent Mo(2) atoms. In the third S site, S(3) is bonded in a 3-coordinate geometry to one Yb(1), one Mo(1), and one Mo(3) atom. In the fourth S site, S(4) is bonded in a 5-coordinate geometry to one Mo(2), two equivalent Mo(1), and two equivalent Mo(3) atoms. is represented by the CIF file [CIF]
data_Yb(Mo3S4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.768
_cell_length_b   6.603
_cell_length_c   11.600
_cell_angle_alpha   38.872
_cell_angle_beta   145.304
_cell_angle_gamma   130.076
_symmetry_Int_Tables_number   1
_cell_volume   294.598
_cell_formula_units_Z   1
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  0.000  0.000  0.000  1.0
  Mo  Mo1  1  0.186  0.042  0.793  1.0
  Mo  Mo2  1  0.385  0.632  0.268  1.0
  Mo  Mo3  1  0.369  0.306  0.008  1.0
  Mo  Mo4  1  0.814  0.958  0.207  1.0
  Mo  Mo5  1  0.615  0.368  0.732  1.0
  Mo  Mo6  1  0.631  0.694  0.992  1.0
  S  S7  1  0.089  0.368  0.237  1.0
  S  S8  1  0.449  0.898  0.387  1.0
  S  S9  1  0.979  0.511  0.363  1.0
  S  S10  1  0.911  0.632  0.763  1.0
  S  S11  1  0.551  0.102  0.613  1.0
  S  S12  1  0.021  0.489  0.637  1.0
  S  S13  1  0.438  0.685  0.055  1.0
  S  S14  1  0.562  0.315  0.945  1.0
[/CIF]
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