The material described by K2Mo9S11 crystallizes in the trigonal R-3c space group. K(1) is bonded in a 7-coordinate geometry to one S(3), three equivalent S(1), and three equivalent S(2) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one S(1), one S(3), and three equivalent S(2) atoms to form a mixture of distorted corner and edge-sharing MoS5 square pyramids. In the second Mo site, Mo(2) is bonded in a distorted see-saw-like geometry to two equivalent S(1) and two equivalent S(2) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to two equivalent K(1), two equivalent Mo(1), and two equivalent Mo(2) atoms. In the second S site, S(2) is bonded in a 5-coordinate geometry to one K(1), one Mo(2), and three equivalent Mo(1) atoms. In the third S site, S(3) is bonded in a 4-coordinate geometry to one K(1) and three equivalent Mo(1) atoms. is represented by the CIF file [CIF]
data_K2Mo9S11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.227
_cell_length_b   13.227
_cell_length_c   13.227
_cell_angle_alpha   41.659
_cell_angle_beta   41.659
_cell_angle_gamma   41.659
_symmetry_Int_Tables_number   1
_cell_volume   924.141
_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
  K  K0  1  0.054  0.054  0.054  1.0
  K  K1  1  0.946  0.946  0.946  1.0
  K  K2  1  0.446  0.446  0.446  1.0
  K  K3  1  0.554  0.554  0.554  1.0
  Mo  Mo4  1  0.028  0.356  0.177  1.0
  Mo  Mo5  1  0.177  0.028  0.356  1.0
  Mo  Mo6  1  0.356  0.177  0.028  1.0
  Mo  Mo7  1  0.472  0.323  0.144  1.0
  Mo  Mo8  1  0.144  0.472  0.323  1.0
  Mo  Mo9  1  0.323  0.144  0.472  1.0
  Mo  Mo10  1  0.972  0.644  0.823  1.0
  Mo  Mo11  1  0.823  0.972  0.644  1.0
  Mo  Mo12  1  0.644  0.823  0.972  1.0
  Mo  Mo13  1  0.528  0.677  0.856  1.0
  Mo  Mo14  1  0.856  0.528  0.677  1.0
  Mo  Mo15  1  0.677  0.856  0.528  1.0
  Mo  Mo16  1  0.418  0.082  0.250  1.0
  Mo  Mo17  1  0.250  0.418  0.082  1.0
  Mo  Mo18  1  0.082  0.250  0.418  1.0
  Mo  Mo19  1  0.582  0.918  0.750  1.0
  Mo  Mo20  1  0.750  0.582  0.918  1.0
  Mo  Mo21  1  0.918  0.750  0.582  1.0
  S  S22  1  0.947  0.553  0.250  1.0
  S  S23  1  0.983  0.714  0.379  1.0
  S  S24  1  0.553  0.250  0.947  1.0
  S  S25  1  0.714  0.379  0.983  1.0
  S  S26  1  0.136  0.136  0.136  1.0
  S  S27  1  0.364  0.364  0.364  1.0
  S  S28  1  0.864  0.864  0.864  1.0
  S  S29  1  0.636  0.636  0.636  1.0
  S  S30  1  0.879  0.214  0.483  1.0
  S  S31  1  0.483  0.879  0.214  1.0
  S  S32  1  0.214  0.483  0.879  1.0
  S  S33  1  0.621  0.017  0.286  1.0
  S  S34  1  0.286  0.621  0.017  1.0
  S  S35  1  0.017  0.286  0.621  1.0
  S  S36  1  0.121  0.786  0.517  1.0
  S  S37  1  0.517  0.121  0.786  1.0
  S  S38  1  0.786  0.517  0.121  1.0
  S  S39  1  0.379  0.983  0.714  1.0
  S  S40  1  0.750  0.053  0.447  1.0
  S  S41  1  0.053  0.447  0.750  1.0
  S  S42  1  0.447  0.750  0.053  1.0
  S  S43  1  0.250  0.947  0.553  1.0
[/CIF]
.
The material described by K2Mo9S11 crystallizes in the trigonal R-3c space group. K(1) is bonded in a 7-coordinate geometry to one S(3), three equivalent S(1), and three equivalent S(2) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one S(1), one S(3), and three equivalent S(2) atoms to form a mixture of distorted corner and edge-sharing MoS5 square pyramids. In the second Mo site, Mo(2) is bonded in a distorted see-saw-like geometry to two equivalent S(1) and two equivalent S(2) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to two equivalent K(1), two equivalent Mo(1), and two equivalent Mo(2) atoms. In the second S site, S(2) is bonded in a 5-coordinate geometry to one K(1), one Mo(2), and three equivalent Mo(1) atoms. In the third S site, S(3) is bonded in a 4-coordinate geometry to one K(1) and three equivalent Mo(1) atoms. is represented by the CIF file [CIF]
data_K2Mo9S11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.227
_cell_length_b   13.227
_cell_length_c   13.227
_cell_angle_alpha   41.659
_cell_angle_beta   41.659
_cell_angle_gamma   41.659
_symmetry_Int_Tables_number   1
_cell_volume   924.141
_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
  K  K0  1  0.054  0.054  0.054  1.0
  K  K1  1  0.946  0.946  0.946  1.0
  K  K2  1  0.446  0.446  0.446  1.0
  K  K3  1  0.554  0.554  0.554  1.0
  Mo  Mo4  1  0.028  0.356  0.177  1.0
  Mo  Mo5  1  0.177  0.028  0.356  1.0
  Mo  Mo6  1  0.356  0.177  0.028  1.0
  Mo  Mo7  1  0.472  0.323  0.144  1.0
  Mo  Mo8  1  0.144  0.472  0.323  1.0
  Mo  Mo9  1  0.323  0.144  0.472  1.0
  Mo  Mo10  1  0.972  0.644  0.823  1.0
  Mo  Mo11  1  0.823  0.972  0.644  1.0
  Mo  Mo12  1  0.644  0.823  0.972  1.0
  Mo  Mo13  1  0.528  0.677  0.856  1.0
  Mo  Mo14  1  0.856  0.528  0.677  1.0
  Mo  Mo15  1  0.677  0.856  0.528  1.0
  Mo  Mo16  1  0.418  0.082  0.250  1.0
  Mo  Mo17  1  0.250  0.418  0.082  1.0
  Mo  Mo18  1  0.082  0.250  0.418  1.0
  Mo  Mo19  1  0.582  0.918  0.750  1.0
  Mo  Mo20  1  0.750  0.582  0.918  1.0
  Mo  Mo21  1  0.918  0.750  0.582  1.0
  S  S22  1  0.947  0.553  0.250  1.0
  S  S23  1  0.983  0.714  0.379  1.0
  S  S24  1  0.553  0.250  0.947  1.0
  S  S25  1  0.714  0.379  0.983  1.0
  S  S26  1  0.136  0.136  0.136  1.0
  S  S27  1  0.364  0.364  0.364  1.0
  S  S28  1  0.864  0.864  0.864  1.0
  S  S29  1  0.636  0.636  0.636  1.0
  S  S30  1  0.879  0.214  0.483  1.0
  S  S31  1  0.483  0.879  0.214  1.0
  S  S32  1  0.214  0.483  0.879  1.0
  S  S33  1  0.621  0.017  0.286  1.0
  S  S34  1  0.286  0.621  0.017  1.0
  S  S35  1  0.017  0.286  0.621  1.0
  S  S36  1  0.121  0.786  0.517  1.0
  S  S37  1  0.517  0.121  0.786  1.0
  S  S38  1  0.786  0.517  0.121  1.0
  S  S39  1  0.379  0.983  0.714  1.0
  S  S40  1  0.750  0.053  0.447  1.0
  S  S41  1  0.053  0.447  0.750  1.0
  S  S42  1  0.447  0.750  0.053  1.0
  S  S43  1  0.250  0.947  0.553  1.0
[/CIF]
.