The structure described by Cs(MoS)9 crystallizes in the hexagonal P6_3/m space group. Cs(1) is bonded in a 9-coordinate geometry to three equivalent S(1) and six equivalent S(2) atoms. 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 in a distorted see-saw-like geometry to one S(1) and three equivalent S(2) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to one Cs(1), two equivalent Mo(1), and two equivalent Mo(2) atoms. In the second S site, S(2) is bonded in a distorted pentagonal planar geometry to one Cs(1), one Mo(1), and three equivalent Mo(2) atoms. is represented by the CIF card [CIF]
data_Cs(MoS)9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.430
_cell_length_b   9.430
_cell_length_c   13.125
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   1010.719
_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
  Cs  Cs0  1  0.667  0.333  0.250  1.0
  Cs  Cs1  1  0.333  0.667  0.750  1.0
  Mo  Mo2  1  0.179  0.028  0.250  1.0
  Mo  Mo3  1  0.181  0.028  0.583  1.0
  Mo  Mo4  1  0.181  0.028  0.917  1.0
  Mo  Mo5  1  0.972  0.152  0.250  1.0
  Mo  Mo6  1  0.972  0.152  0.583  1.0
  Mo  Mo7  1  0.972  0.152  0.917  1.0
  Mo  Mo8  1  0.848  0.821  0.250  1.0
  Mo  Mo9  1  0.848  0.819  0.583  1.0
  Mo  Mo10  1  0.848  0.819  0.917  1.0
  Mo  Mo11  1  0.819  0.972  0.083  1.0
  Mo  Mo12  1  0.819  0.972  0.417  1.0
  Mo  Mo13  1  0.821  0.972  0.750  1.0
  Mo  Mo14  1  0.028  0.848  0.083  1.0
  Mo  Mo15  1  0.028  0.848  0.417  1.0
  Mo  Mo16  1  0.028  0.848  0.750  1.0
  Mo  Mo17  1  0.152  0.181  0.083  1.0
  Mo  Mo18  1  0.152  0.181  0.417  1.0
  Mo  Mo19  1  0.152  0.179  0.750  1.0
  S  S20  1  0.052  0.723  0.250  1.0
  S  S21  1  0.052  0.723  0.583  1.0
  S  S22  1  0.052  0.723  0.917  1.0
  S  S23  1  0.277  0.328  0.250  1.0
  S  S24  1  0.277  0.328  0.583  1.0
  S  S25  1  0.277  0.328  0.917  1.0
  S  S26  1  0.672  0.948  0.250  1.0
  S  S27  1  0.672  0.948  0.583  1.0
  S  S28  1  0.672  0.948  0.917  1.0
  S  S29  1  0.948  0.277  0.083  1.0
  S  S30  1  0.948  0.277  0.417  1.0
  S  S31  1  0.948  0.277  0.750  1.0
  S  S32  1  0.723  0.672  0.083  1.0
  S  S33  1  0.723  0.672  0.417  1.0
  S  S34  1  0.723  0.672  0.750  1.0
  S  S35  1  0.328  0.052  0.083  1.0
  S  S36  1  0.328  0.052  0.417  1.0
  S  S37  1  0.328  0.052  0.750  1.0
[/CIF]
.
The structure described by Cs(MoS)9 crystallizes in the hexagonal P6_3/m space group. Cs(1) is bonded in a 9-coordinate geometry to three equivalent S(1) and six equivalent S(2) atoms. 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 in a distorted see-saw-like geometry to one S(1) and three equivalent S(2) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to one Cs(1), two equivalent Mo(1), and two equivalent Mo(2) atoms. In the second S site, S(2) is bonded in a distorted pentagonal planar geometry to one Cs(1), one Mo(1), and three equivalent Mo(2) atoms. is represented by the CIF card [CIF]
data_Cs(MoS)9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.430
_cell_length_b   9.430
_cell_length_c   13.125
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   1010.719
_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
  Cs  Cs0  1  0.667  0.333  0.250  1.0
  Cs  Cs1  1  0.333  0.667  0.750  1.0
  Mo  Mo2  1  0.179  0.028  0.250  1.0
  Mo  Mo3  1  0.181  0.028  0.583  1.0
  Mo  Mo4  1  0.181  0.028  0.917  1.0
  Mo  Mo5  1  0.972  0.152  0.250  1.0
  Mo  Mo6  1  0.972  0.152  0.583  1.0
  Mo  Mo7  1  0.972  0.152  0.917  1.0
  Mo  Mo8  1  0.848  0.821  0.250  1.0
  Mo  Mo9  1  0.848  0.819  0.583  1.0
  Mo  Mo10  1  0.848  0.819  0.917  1.0
  Mo  Mo11  1  0.819  0.972  0.083  1.0
  Mo  Mo12  1  0.819  0.972  0.417  1.0
  Mo  Mo13  1  0.821  0.972  0.750  1.0
  Mo  Mo14  1  0.028  0.848  0.083  1.0
  Mo  Mo15  1  0.028  0.848  0.417  1.0
  Mo  Mo16  1  0.028  0.848  0.750  1.0
  Mo  Mo17  1  0.152  0.181  0.083  1.0
  Mo  Mo18  1  0.152  0.181  0.417  1.0
  Mo  Mo19  1  0.152  0.179  0.750  1.0
  S  S20  1  0.052  0.723  0.250  1.0
  S  S21  1  0.052  0.723  0.583  1.0
  S  S22  1  0.052  0.723  0.917  1.0
  S  S23  1  0.277  0.328  0.250  1.0
  S  S24  1  0.277  0.328  0.583  1.0
  S  S25  1  0.277  0.328  0.917  1.0
  S  S26  1  0.672  0.948  0.250  1.0
  S  S27  1  0.672  0.948  0.583  1.0
  S  S28  1  0.672  0.948  0.917  1.0
  S  S29  1  0.948  0.277  0.083  1.0
  S  S30  1  0.948  0.277  0.417  1.0
  S  S31  1  0.948  0.277  0.750  1.0
  S  S32  1  0.723  0.672  0.083  1.0
  S  S33  1  0.723  0.672  0.417  1.0
  S  S34  1  0.723  0.672  0.750  1.0
  S  S35  1  0.328  0.052  0.083  1.0
  S  S36  1  0.328  0.052  0.417  1.0
  S  S37  1  0.328  0.052  0.750  1.0
[/CIF]
.