The crystal structure described by SnMo6S8 crystallizes in the triclinic P-1 space group. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 4-coordinate geometry to one Sn(1), one S(2), two equivalent S(1), and two equivalent S(4) atoms. In the second Mo site, Mo(2) is bonded in a 3-coordinate geometry to one Sn(1), one S(1), one S(2), and one S(4) atom. In the third Mo site, Mo(3) is bonded in a 4-coordinate geometry to one Sn(1), one S(2), one S(3), and two equivalent S(4) atoms. Sn(1) is bonded in a 10-coordinate geometry to two equivalent Mo(1), two equivalent Mo(2), two equivalent Mo(3), two equivalent S(1), and two equivalent S(2) atoms. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to one Mo(2), two equivalent Mo(1), and one Sn(1) atom. In the second S site, S(2) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(2), one Mo(3), and one Sn(1) atom. In the third S site, S(3) is bonded in a water-like geometry to one Mo(3) and one S(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 Crystallographic Information File (CIF) [CIF]
data_Sn(Mo3S4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.512
_cell_length_b   6.212
_cell_length_c   12.733
_cell_angle_alpha   35.861
_cell_angle_beta   139.219
_cell_angle_gamma   135.064
_symmetry_Int_Tables_number   1
_cell_volume   279.044
_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
  Sn  Sn0  1  0.000  0.000  0.000  1.0
  Mo  Mo1  1  0.299  0.698  0.040  1.0
  Mo  Mo2  1  0.405  0.741  0.315  1.0
  Mo  Mo3  1  0.357  0.430  0.864  1.0
  Mo  Mo4  1  0.701  0.302  0.960  1.0
  Mo  Mo5  1  0.595  0.259  0.685  1.0
  Mo  Mo6  1  0.643  0.570  0.136  1.0
  S  S7  1  0.093  0.356  0.202  1.0
  S  S8  1  0.443  0.149  0.317  1.0
  S  S9  1  0.995  0.497  0.418  1.0
  S  S10  1  0.907  0.644  0.798  1.0
  S  S11  1  0.557  0.851  0.683  1.0
  S  S12  1  0.005  0.503  0.582  1.0
  S  S13  1  0.340  0.904  0.797  1.0
  S  S14  1  0.660  0.096  0.203  1.0
[/CIF]
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The crystal structure described by SnMo6S8 crystallizes in the triclinic P-1 space group. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 4-coordinate geometry to one Sn(1), one S(2), two equivalent S(1), and two equivalent S(4) atoms. In the second Mo site, Mo(2) is bonded in a 3-coordinate geometry to one Sn(1), one S(1), one S(2), and one S(4) atom. In the third Mo site, Mo(3) is bonded in a 4-coordinate geometry to one Sn(1), one S(2), one S(3), and two equivalent S(4) atoms. Sn(1) is bonded in a 10-coordinate geometry to two equivalent Mo(1), two equivalent Mo(2), two equivalent Mo(3), two equivalent S(1), and two equivalent S(2) atoms. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to one Mo(2), two equivalent Mo(1), and one Sn(1) atom. In the second S site, S(2) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(2), one Mo(3), and one Sn(1) atom. In the third S site, S(3) is bonded in a water-like geometry to one Mo(3) and one S(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 Crystallographic Information File (CIF) [CIF]
data_Sn(Mo3S4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.512
_cell_length_b   6.212
_cell_length_c   12.733
_cell_angle_alpha   35.861
_cell_angle_beta   139.219
_cell_angle_gamma   135.064
_symmetry_Int_Tables_number   1
_cell_volume   279.044
_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
  Sn  Sn0  1  0.000  0.000  0.000  1.0
  Mo  Mo1  1  0.299  0.698  0.040  1.0
  Mo  Mo2  1  0.405  0.741  0.315  1.0
  Mo  Mo3  1  0.357  0.430  0.864  1.0
  Mo  Mo4  1  0.701  0.302  0.960  1.0
  Mo  Mo5  1  0.595  0.259  0.685  1.0
  Mo  Mo6  1  0.643  0.570  0.136  1.0
  S  S7  1  0.093  0.356  0.202  1.0
  S  S8  1  0.443  0.149  0.317  1.0
  S  S9  1  0.995  0.497  0.418  1.0
  S  S10  1  0.907  0.644  0.798  1.0
  S  S11  1  0.557  0.851  0.683  1.0
  S  S12  1  0.005  0.503  0.582  1.0
  S  S13  1  0.340  0.904  0.797  1.0
  S  S14  1  0.660  0.096  0.203  1.0
[/CIF]
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