The compound described by Mo9Tl2S11 crystallizes in the trigonal R-3c space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a distorted see-saw-like geometry to two equivalent S(1) and two equivalent S(2) atoms. In the second Mo site, Mo(2) is bonded to one S(1), one S(3), and three equivalent S(2) atoms to form a mixture of distorted edge and corner-sharing MoS5 square pyramids. Tl(1) is bonded in a single-bond geometry to one S(3) atom. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to two equivalent Mo(1) and two equivalent Mo(2) atoms. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to one Mo(1) and three equivalent Mo(2) atoms. In the third S site, S(3) is bonded in a 4-coordinate geometry to three equivalent Mo(2) and one Tl(1) atom. is represented by the CIF card [CIF]
data_Tl2Mo9S11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.139
_cell_length_b   13.139
_cell_length_c   13.139
_cell_angle_alpha   41.962
_cell_angle_beta   41.962
_cell_angle_gamma   41.962
_symmetry_Int_Tables_number   1
_cell_volume   917.277
_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
  Tl  Tl0  1  0.447  0.447  0.447  1.0
  Tl  Tl1  1  0.947  0.947  0.947  1.0
  Tl  Tl2  1  0.553  0.553  0.553  1.0
  Tl  Tl3  1  0.053  0.053  0.053  1.0
  Mo  Mo4  1  0.250  0.083  0.417  1.0
  Mo  Mo5  1  0.417  0.250  0.083  1.0
  Mo  Mo6  1  0.083  0.417  0.250  1.0
  Mo  Mo7  1  0.917  0.583  0.750  1.0
  Mo  Mo8  1  0.750  0.917  0.583  1.0
  Mo  Mo9  1  0.583  0.750  0.917  1.0
  Mo  Mo10  1  0.144  0.323  0.473  1.0
  Mo  Mo11  1  0.473  0.144  0.323  1.0
  Mo  Mo12  1  0.323  0.473  0.144  1.0
  Mo  Mo13  1  0.973  0.823  0.644  1.0
  Mo  Mo14  1  0.644  0.973  0.823  1.0
  Mo  Mo15  1  0.823  0.644  0.973  1.0
  Mo  Mo16  1  0.856  0.677  0.527  1.0
  Mo  Mo17  1  0.527  0.856  0.677  1.0
  Mo  Mo18  1  0.677  0.527  0.856  1.0
  Mo  Mo19  1  0.027  0.177  0.356  1.0
  Mo  Mo20  1  0.356  0.027  0.177  1.0
  Mo  Mo21  1  0.177  0.356  0.027  1.0
  S  S22  1  0.946  0.250  0.554  1.0
  S  S23  1  0.554  0.946  0.250  1.0
  S  S24  1  0.250  0.554  0.946  1.0
  S  S25  1  0.054  0.750  0.446  1.0
  S  S26  1  0.446  0.054  0.750  1.0
  S  S27  1  0.750  0.446  0.054  1.0
  S  S28  1  0.284  0.019  0.621  1.0
  S  S29  1  0.621  0.284  0.019  1.0
  S  S30  1  0.019  0.621  0.284  1.0
  S  S31  1  0.121  0.519  0.784  1.0
  S  S32  1  0.784  0.121  0.519  1.0
  S  S33  1  0.519  0.784  0.121  1.0
  S  S34  1  0.716  0.981  0.379  1.0
  S  S35  1  0.379  0.716  0.981  1.0
  S  S36  1  0.981  0.379  0.716  1.0
  S  S37  1  0.879  0.481  0.216  1.0
  S  S38  1  0.216  0.879  0.481  1.0
  S  S39  1  0.481  0.216  0.879  1.0
  S  S40  1  0.365  0.365  0.365  1.0
  S  S41  1  0.865  0.865  0.865  1.0
  S  S42  1  0.635  0.635  0.635  1.0
  S  S43  1  0.135  0.135  0.135  1.0
[/CIF]
.
The compound described by Mo9Tl2S11 crystallizes in the trigonal R-3c space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a distorted see-saw-like geometry to two equivalent S(1) and two equivalent S(2) atoms. In the second Mo site, Mo(2) is bonded to one S(1), one S(3), and three equivalent S(2) atoms to form a mixture of distorted edge and corner-sharing MoS5 square pyramids. Tl(1) is bonded in a single-bond geometry to one S(3) atom. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to two equivalent Mo(1) and two equivalent Mo(2) atoms. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to one Mo(1) and three equivalent Mo(2) atoms. In the third S site, S(3) is bonded in a 4-coordinate geometry to three equivalent Mo(2) and one Tl(1) atom. is represented by the CIF card [CIF]
data_Tl2Mo9S11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.139
_cell_length_b   13.139
_cell_length_c   13.139
_cell_angle_alpha   41.962
_cell_angle_beta   41.962
_cell_angle_gamma   41.962
_symmetry_Int_Tables_number   1
_cell_volume   917.277
_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
  Tl  Tl0  1  0.447  0.447  0.447  1.0
  Tl  Tl1  1  0.947  0.947  0.947  1.0
  Tl  Tl2  1  0.553  0.553  0.553  1.0
  Tl  Tl3  1  0.053  0.053  0.053  1.0
  Mo  Mo4  1  0.250  0.083  0.417  1.0
  Mo  Mo5  1  0.417  0.250  0.083  1.0
  Mo  Mo6  1  0.083  0.417  0.250  1.0
  Mo  Mo7  1  0.917  0.583  0.750  1.0
  Mo  Mo8  1  0.750  0.917  0.583  1.0
  Mo  Mo9  1  0.583  0.750  0.917  1.0
  Mo  Mo10  1  0.144  0.323  0.473  1.0
  Mo  Mo11  1  0.473  0.144  0.323  1.0
  Mo  Mo12  1  0.323  0.473  0.144  1.0
  Mo  Mo13  1  0.973  0.823  0.644  1.0
  Mo  Mo14  1  0.644  0.973  0.823  1.0
  Mo  Mo15  1  0.823  0.644  0.973  1.0
  Mo  Mo16  1  0.856  0.677  0.527  1.0
  Mo  Mo17  1  0.527  0.856  0.677  1.0
  Mo  Mo18  1  0.677  0.527  0.856  1.0
  Mo  Mo19  1  0.027  0.177  0.356  1.0
  Mo  Mo20  1  0.356  0.027  0.177  1.0
  Mo  Mo21  1  0.177  0.356  0.027  1.0
  S  S22  1  0.946  0.250  0.554  1.0
  S  S23  1  0.554  0.946  0.250  1.0
  S  S24  1  0.250  0.554  0.946  1.0
  S  S25  1  0.054  0.750  0.446  1.0
  S  S26  1  0.446  0.054  0.750  1.0
  S  S27  1  0.750  0.446  0.054  1.0
  S  S28  1  0.284  0.019  0.621  1.0
  S  S29  1  0.621  0.284  0.019  1.0
  S  S30  1  0.019  0.621  0.284  1.0
  S  S31  1  0.121  0.519  0.784  1.0
  S  S32  1  0.784  0.121  0.519  1.0
  S  S33  1  0.519  0.784  0.121  1.0
  S  S34  1  0.716  0.981  0.379  1.0
  S  S35  1  0.379  0.716  0.981  1.0
  S  S36  1  0.981  0.379  0.716  1.0
  S  S37  1  0.879  0.481  0.216  1.0
  S  S38  1  0.216  0.879  0.481  1.0
  S  S39  1  0.481  0.216  0.879  1.0
  S  S40  1  0.365  0.365  0.365  1.0
  S  S41  1  0.865  0.865  0.865  1.0
  S  S42  1  0.635  0.635  0.635  1.0
  S  S43  1  0.135  0.135  0.135  1.0
[/CIF]
.