The compound described by CsMo6Te7 crystallizes in the trigonal R-3 space group. Cs(1) is bonded in a 10-coordinate geometry to one Te(3), three equivalent Te(1), and six equivalent Te(2) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 9-coordinate geometry to two equivalent Mo(1), two equivalent Mo(2), one Te(2), one Te(3), and three equivalent Te(1) atoms. In the second Mo site, Mo(2) is bonded in a 10-coordinate geometry to two equivalent Mo(1), four equivalent Mo(2), one Te(1), and three equivalent Te(2) atoms. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded in a distorted pentagonal planar geometry to one Cs(1), one Mo(2), and three equivalent Mo(1) atoms. In the second Te site, Te(2) is bonded in a 6-coordinate geometry to two equivalent Cs(1), one Mo(1), and three equivalent Mo(2) atoms. In the third Te site, Te(3) is bonded in a 4-coordinate geometry to one Cs(1) and three equivalent Mo(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsTe7Mo6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.449
_cell_length_b   10.449
_cell_length_c   10.448
_cell_angle_alpha   60.249
_cell_angle_beta   60.239
_cell_angle_gamma   60.243
_symmetry_Int_Tables_number   1
_cell_volume   811.084
_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  0.620  0.620  0.620  1.0
  Cs  Cs1  1  0.380  0.380  0.380  1.0
  Te  Te2  1  0.425  0.804  0.162  1.0
  Te  Te3  1  0.162  0.425  0.804  1.0
  Te  Te4  1  0.804  0.162  0.425  1.0
  Te  Te5  1  0.575  0.196  0.839  1.0
  Te  Te6  1  0.838  0.575  0.196  1.0
  Te  Te7  1  0.196  0.838  0.575  1.0
  Te  Te8  1  0.633  0.979  0.247  1.0
  Te  Te9  1  0.247  0.633  0.979  1.0
  Te  Te10  1  0.979  0.247  0.633  1.0
  Te  Te11  1  0.367  0.021  0.753  1.0
  Te  Te12  1  0.753  0.367  0.021  1.0
  Te  Te13  1  0.021  0.753  0.367  1.0
  Te  Te14  1  0.776  0.776  0.776  1.0
  Te  Te15  1  0.224  0.224  0.224  1.0
  Mo  Mo16  1  0.713  0.880  0.000  1.0
  Mo  Mo17  1  0.000  0.713  0.880  1.0
  Mo  Mo18  1  0.880  0.000  0.713  1.0
  Mo  Mo19  1  0.287  0.120  1.000  1.0
  Mo  Mo20  1  1.000  0.287  0.120  1.0
  Mo  Mo21  1  0.120  1.000  0.287  1.0
  Mo  Mo22  1  0.945  0.814  0.108  1.0
  Mo  Mo23  1  0.108  0.945  0.814  1.0
  Mo  Mo24  1  0.814  0.108  0.945  1.0
  Mo  Mo25  1  0.055  0.186  0.892  1.0
  Mo  Mo26  1  0.892  0.055  0.186  1.0
  Mo  Mo27  1  0.186  0.892  0.055  1.0
[/CIF]
.
The compound described by CsMo6Te7 crystallizes in the trigonal R-3 space group. Cs(1) is bonded in a 10-coordinate geometry to one Te(3), three equivalent Te(1), and six equivalent Te(2) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 9-coordinate geometry to two equivalent Mo(1), two equivalent Mo(2), one Te(2), one Te(3), and three equivalent Te(1) atoms. In the second Mo site, Mo(2) is bonded in a 10-coordinate geometry to two equivalent Mo(1), four equivalent Mo(2), one Te(1), and three equivalent Te(2) atoms. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded in a distorted pentagonal planar geometry to one Cs(1), one Mo(2), and three equivalent Mo(1) atoms. In the second Te site, Te(2) is bonded in a 6-coordinate geometry to two equivalent Cs(1), one Mo(1), and three equivalent Mo(2) atoms. In the third Te site, Te(3) is bonded in a 4-coordinate geometry to one Cs(1) and three equivalent Mo(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsTe7Mo6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.449
_cell_length_b   10.449
_cell_length_c   10.448
_cell_angle_alpha   60.249
_cell_angle_beta   60.239
_cell_angle_gamma   60.243
_symmetry_Int_Tables_number   1
_cell_volume   811.084
_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  0.620  0.620  0.620  1.0
  Cs  Cs1  1  0.380  0.380  0.380  1.0
  Te  Te2  1  0.425  0.804  0.162  1.0
  Te  Te3  1  0.162  0.425  0.804  1.0
  Te  Te4  1  0.804  0.162  0.425  1.0
  Te  Te5  1  0.575  0.196  0.839  1.0
  Te  Te6  1  0.838  0.575  0.196  1.0
  Te  Te7  1  0.196  0.838  0.575  1.0
  Te  Te8  1  0.633  0.979  0.247  1.0
  Te  Te9  1  0.247  0.633  0.979  1.0
  Te  Te10  1  0.979  0.247  0.633  1.0
  Te  Te11  1  0.367  0.021  0.753  1.0
  Te  Te12  1  0.753  0.367  0.021  1.0
  Te  Te13  1  0.021  0.753  0.367  1.0
  Te  Te14  1  0.776  0.776  0.776  1.0
  Te  Te15  1  0.224  0.224  0.224  1.0
  Mo  Mo16  1  0.713  0.880  0.000  1.0
  Mo  Mo17  1  0.000  0.713  0.880  1.0
  Mo  Mo18  1  0.880  0.000  0.713  1.0
  Mo  Mo19  1  0.287  0.120  1.000  1.0
  Mo  Mo20  1  1.000  0.287  0.120  1.0
  Mo  Mo21  1  0.120  1.000  0.287  1.0
  Mo  Mo22  1  0.945  0.814  0.108  1.0
  Mo  Mo23  1  0.108  0.945  0.814  1.0
  Mo  Mo24  1  0.814  0.108  0.945  1.0
  Mo  Mo25  1  0.055  0.186  0.892  1.0
  Mo  Mo26  1  0.892  0.055  0.186  1.0
  Mo  Mo27  1  0.186  0.892  0.055  1.0
[/CIF]
.