The material described by Cd1Mo6S8 crystallizes in the trigonal R-3 space group. Mo(1) is bonded to one S(1) and four equivalent S(2) atoms to form a mixture of distorted edge and corner-sharing MoS5 square pyramids. Cd(1) is bonded in a linear geometry to two equivalent S(1) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to three equivalent Mo(1) and one Cd(1) atom. In the second S site, S(2) is bonded in a 4-coordinate geometry to four equivalent Mo(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cd(Mo3S4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.568
_cell_length_b   6.568
_cell_length_c   6.568
_cell_angle_alpha   92.490
_cell_angle_beta   92.490
_cell_angle_gamma   92.490
_symmetry_Int_Tables_number   1
_cell_volume   282.449
_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
  Cd  Cd0  1  0.000  0.000  0.000  1.0
  Mo  Mo1  1  0.780  0.591  0.446  1.0
  Mo  Mo2  1  0.446  0.780  0.591  1.0
  Mo  Mo3  1  0.591  0.446  0.780  1.0
  Mo  Mo4  1  0.220  0.409  0.554  1.0
  Mo  Mo5  1  0.554  0.220  0.409  1.0
  Mo  Mo6  1  0.409  0.554  0.220  1.0
  S  S7  1  0.774  0.774  0.774  1.0
  S  S8  1  0.226  0.226  0.226  1.0
  S  S9  1  0.273  0.620  0.868  1.0
  S  S10  1  0.868  0.273  0.620  1.0
  S  S11  1  0.620  0.868  0.273  1.0
  S  S12  1  0.727  0.380  0.132  1.0
  S  S13  1  0.132  0.727  0.380  1.0
  S  S14  1  0.380  0.132  0.727  1.0
[/CIF]
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The material described by Cd1Mo6S8 crystallizes in the trigonal R-3 space group. Mo(1) is bonded to one S(1) and four equivalent S(2) atoms to form a mixture of distorted edge and corner-sharing MoS5 square pyramids. Cd(1) is bonded in a linear geometry to two equivalent S(1) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to three equivalent Mo(1) and one Cd(1) atom. In the second S site, S(2) is bonded in a 4-coordinate geometry to four equivalent Mo(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cd(Mo3S4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.568
_cell_length_b   6.568
_cell_length_c   6.568
_cell_angle_alpha   92.490
_cell_angle_beta   92.490
_cell_angle_gamma   92.490
_symmetry_Int_Tables_number   1
_cell_volume   282.449
_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
  Cd  Cd0  1  0.000  0.000  0.000  1.0
  Mo  Mo1  1  0.780  0.591  0.446  1.0
  Mo  Mo2  1  0.446  0.780  0.591  1.0
  Mo  Mo3  1  0.591  0.446  0.780  1.0
  Mo  Mo4  1  0.220  0.409  0.554  1.0
  Mo  Mo5  1  0.554  0.220  0.409  1.0
  Mo  Mo6  1  0.409  0.554  0.220  1.0
  S  S7  1  0.774  0.774  0.774  1.0
  S  S8  1  0.226  0.226  0.226  1.0
  S  S9  1  0.273  0.620  0.868  1.0
  S  S10  1  0.868  0.273  0.620  1.0
  S  S11  1  0.620  0.868  0.273  1.0
  S  S12  1  0.727  0.380  0.132  1.0
  S  S13  1  0.132  0.727  0.380  1.0
  S  S14  1  0.380  0.132  0.727  1.0
[/CIF]
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