The structure described by MoTe6(OF5)6 is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one MoTe6(OF5)6 cluster. Mo(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MoO6 octahedra that share corners with two equivalent Te(1)OF5 octahedra, corners with two equivalent Te(2)OF5 octahedra, and corners with two equivalent Te(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 32-33°. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded to one O(1), one F(1), one F(2), one F(3), one F(4), and one F(5) atom to form TeOF5 octahedra that share  a cornercorner with one Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles are 33°. In the second Te site, Te(2) is bonded to one O(2), one F(10), one F(6), one F(7), one F(8), and one F(9) atom to form TeOF5 octahedra that share  a cornercorner with one Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles are 32°. In the third Te site, Te(3) is bonded to one O(3), one F(11), one F(12), one F(13), one F(14), and one F(15) atom to form TeOF5 octahedra that share  a cornercorner with one Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles are 33°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mo(1) and one Te(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Mo(1) and one Te(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Mo(1) and one Te(3) atom. There are fifteen inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one Te(1) atom. In the second F site, F(2) is bonded in a single-bond geometry to one Te(1) atom. In the third F site, F(3) is bonded in a single-bond geometry to one Te(1) atom. In the fourth F site, F(4) is bonded in a single-bond geometry to one Te(1) atom. In the fifth F site, F(5) is bonded in a single-bond geometry to one Te(1) atom. In the sixth F site, F(6) is bonded in a single-bond geometry to one Te(2) atom. In the seventh F site, F(7) is bonded in a single-bond geometry to one Te(2) atom. In the eighth F site, F(8) is bonded in a single-bond geometry to one Te(2) atom. In the ninth F site, F(9) is bonded in a single-bond geometry to one Te(2) atom. In the tenth F site, F(10) is bonded in a single-bond geometry to one Te(2) atom. In the eleventh F site, F(11) is bonded in a single-bond geometry to one Te(3) atom. In the twelfth F site, F(12) is bonded in a single-bond geometry to one Te(3) atom. In the thirteenth F site, F(13) is bonded in a single-bond geometry to one Te(3) atom. In the fourteenth F site, F(14) is bonded in a single-bond geometry to one Te(3) atom. In the fifteenth F site, F(15) is bonded in a single-bond geometry to one Te(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Te6Mo(OF5)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.350
_cell_length_b   9.354
_cell_length_c   9.467
_cell_angle_alpha   111.654
_cell_angle_beta   116.265
_cell_angle_gamma   82.805
_symmetry_Int_Tables_number   1
_cell_volume   689.428
_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
  Te  Te0  1  0.685  0.250  0.081  1.0
  Te  Te1  1  0.315  0.750  0.919  1.0
  Te  Te2  1  0.675  0.759  0.607  1.0
  Te  Te3  1  0.325  0.241  0.393  1.0
  Te  Te4  1  0.001  0.231  0.757  1.0
  Te  Te5  1  0.999  0.769  0.243  1.0
  Mo  Mo6  1  0.000  0.000  0.000  1.0
  O  O7  1  0.809  0.076  0.030  1.0
  O  O8  1  0.191  0.924  0.970  1.0
  O  O9  1  0.873  0.873  0.769  1.0
  O  O10  1  0.127  0.127  0.231  1.0
  O  O11  1  0.007  0.168  0.931  1.0
  O  O12  1  0.993  0.832  0.069  1.0
  F  F13  1  0.497  0.128  0.942  1.0
  F  F14  1  0.503  0.872  0.058  1.0
  F  F15  1  0.567  0.421  0.134  1.0
  F  F16  1  0.433  0.579  0.866  1.0
  F  F17  1  0.669  0.297  0.899  1.0
  F  F18  1  0.331  0.703  0.101  1.0
  F  F19  1  0.871  0.377  0.223  1.0
  F  F20  1  0.129  0.623  0.777  1.0
  F  F21  1  0.696  0.206  0.262  1.0
  F  F22  1  0.304  0.794  0.738  1.0
  F  F23  1  0.561  0.937  0.649  1.0
  F  F24  1  0.439  0.063  0.351  1.0
  F  F25  1  0.784  0.580  0.559  1.0
  F  F26  1  0.216  0.420  0.441  1.0
  F  F27  1  0.690  0.803  0.436  1.0
  F  F28  1  0.310  0.197  0.564  1.0
  F  F29  1  0.655  0.711  0.773  1.0
  F  F30  1  0.345  0.289  0.227  1.0
  F  F31  1  0.483  0.649  0.449  1.0
  F  F32  1  0.517  0.351  0.551  1.0
  F  F33  1  0.802  0.127  0.609  1.0
  F  F34  1  0.198  0.873  0.391  1.0
  F  F35  1  0.899  0.409  0.826  1.0
  F  F36  1  0.101  0.591  0.174  1.0
  F  F37  1  0.105  0.054  0.684  1.0
  F  F38  1  0.895  0.946  0.316  1.0
  F  F39  1  0.198  0.337  0.901  1.0
  F  F40  1  0.802  0.663  0.099  1.0
  F  F41  1  0.996  0.290  0.587  1.0
  F  F42  1  0.004  0.710  0.413  1.0
[/CIF]
.
The structure described by MoTe6(OF5)6 is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one MoTe6(OF5)6 cluster. Mo(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MoO6 octahedra that share corners with two equivalent Te(1)OF5 octahedra, corners with two equivalent Te(2)OF5 octahedra, and corners with two equivalent Te(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 32-33°. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded to one O(1), one F(1), one F(2), one F(3), one F(4), and one F(5) atom to form TeOF5 octahedra that share  a cornercorner with one Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles are 33°. In the second Te site, Te(2) is bonded to one O(2), one F(10), one F(6), one F(7), one F(8), and one F(9) atom to form TeOF5 octahedra that share  a cornercorner with one Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles are 32°. In the third Te site, Te(3) is bonded to one O(3), one F(11), one F(12), one F(13), one F(14), and one F(15) atom to form TeOF5 octahedra that share  a cornercorner with one Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles are 33°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mo(1) and one Te(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Mo(1) and one Te(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Mo(1) and one Te(3) atom. There are fifteen inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one Te(1) atom. In the second F site, F(2) is bonded in a single-bond geometry to one Te(1) atom. In the third F site, F(3) is bonded in a single-bond geometry to one Te(1) atom. In the fourth F site, F(4) is bonded in a single-bond geometry to one Te(1) atom. In the fifth F site, F(5) is bonded in a single-bond geometry to one Te(1) atom. In the sixth F site, F(6) is bonded in a single-bond geometry to one Te(2) atom. In the seventh F site, F(7) is bonded in a single-bond geometry to one Te(2) atom. In the eighth F site, F(8) is bonded in a single-bond geometry to one Te(2) atom. In the ninth F site, F(9) is bonded in a single-bond geometry to one Te(2) atom. In the tenth F site, F(10) is bonded in a single-bond geometry to one Te(2) atom. In the eleventh F site, F(11) is bonded in a single-bond geometry to one Te(3) atom. In the twelfth F site, F(12) is bonded in a single-bond geometry to one Te(3) atom. In the thirteenth F site, F(13) is bonded in a single-bond geometry to one Te(3) atom. In the fourteenth F site, F(14) is bonded in a single-bond geometry to one Te(3) atom. In the fifteenth F site, F(15) is bonded in a single-bond geometry to one Te(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Te6Mo(OF5)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.350
_cell_length_b   9.354
_cell_length_c   9.467
_cell_angle_alpha   111.654
_cell_angle_beta   116.265
_cell_angle_gamma   82.805
_symmetry_Int_Tables_number   1
_cell_volume   689.428
_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
  Te  Te0  1  0.685  0.250  0.081  1.0
  Te  Te1  1  0.315  0.750  0.919  1.0
  Te  Te2  1  0.675  0.759  0.607  1.0
  Te  Te3  1  0.325  0.241  0.393  1.0
  Te  Te4  1  0.001  0.231  0.757  1.0
  Te  Te5  1  0.999  0.769  0.243  1.0
  Mo  Mo6  1  0.000  0.000  0.000  1.0
  O  O7  1  0.809  0.076  0.030  1.0
  O  O8  1  0.191  0.924  0.970  1.0
  O  O9  1  0.873  0.873  0.769  1.0
  O  O10  1  0.127  0.127  0.231  1.0
  O  O11  1  0.007  0.168  0.931  1.0
  O  O12  1  0.993  0.832  0.069  1.0
  F  F13  1  0.497  0.128  0.942  1.0
  F  F14  1  0.503  0.872  0.058  1.0
  F  F15  1  0.567  0.421  0.134  1.0
  F  F16  1  0.433  0.579  0.866  1.0
  F  F17  1  0.669  0.297  0.899  1.0
  F  F18  1  0.331  0.703  0.101  1.0
  F  F19  1  0.871  0.377  0.223  1.0
  F  F20  1  0.129  0.623  0.777  1.0
  F  F21  1  0.696  0.206  0.262  1.0
  F  F22  1  0.304  0.794  0.738  1.0
  F  F23  1  0.561  0.937  0.649  1.0
  F  F24  1  0.439  0.063  0.351  1.0
  F  F25  1  0.784  0.580  0.559  1.0
  F  F26  1  0.216  0.420  0.441  1.0
  F  F27  1  0.690  0.803  0.436  1.0
  F  F28  1  0.310  0.197  0.564  1.0
  F  F29  1  0.655  0.711  0.773  1.0
  F  F30  1  0.345  0.289  0.227  1.0
  F  F31  1  0.483  0.649  0.449  1.0
  F  F32  1  0.517  0.351  0.551  1.0
  F  F33  1  0.802  0.127  0.609  1.0
  F  F34  1  0.198  0.873  0.391  1.0
  F  F35  1  0.899  0.409  0.826  1.0
  F  F36  1  0.101  0.591  0.174  1.0
  F  F37  1  0.105  0.054  0.684  1.0
  F  F38  1  0.895  0.946  0.316  1.0
  F  F39  1  0.198  0.337  0.901  1.0
  F  F40  1  0.802  0.663  0.099  1.0
  F  F41  1  0.996  0.290  0.587  1.0
  F  F42  1  0.004  0.710  0.413  1.0
[/CIF]
.