The material described by W7(OF5)6 is Copper structured and crystallizes in the trigonal R-3 space group. The structure is zero-dimensional and consists of three W7(OF5)6 clusters. There are two inequivalent W sites. In the first W site, W(1) is bonded to six equivalent O(1) atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles are 30°. In the second W site, W(2) 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 corner-sharing WOF5 octahedra. The corner-sharing octahedral tilt angles are 30°. O(1) is bonded in a bent 150 degrees geometry to one W(1) and one W(2) atom. There are five inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one W(2) atom. In the second F site, F(2) is bonded in a single-bond geometry to one W(2) atom. In the third F site, F(3) is bonded in a single-bond geometry to one W(2) atom. In the fourth F site, F(4) is bonded in a single-bond geometry to one W(2) atom. In the fifth F site, F(5) is bonded in a single-bond geometry to one W(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_W7(OF5)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.980
_cell_length_b   10.980
_cell_length_c   10.980
_cell_angle_alpha   50.245
_cell_angle_beta   50.245
_cell_angle_gamma   50.245
_symmetry_Int_Tables_number   1
_cell_volume   720.421
_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
  W  W0  1  0.000  0.000  0.000  1.0
  W  W1  1  0.233  0.605  0.921  1.0
  W  W2  1  0.395  0.079  0.767  1.0
  W  W3  1  0.079  0.767  0.395  1.0
  W  W4  1  0.921  0.233  0.605  1.0
  W  W5  1  0.605  0.921  0.233  1.0
  W  W6  1  0.767  0.395  0.079  1.0
  O  O7  1  0.231  0.977  0.909  1.0
  O  O8  1  0.909  0.231  0.977  1.0
  O  O9  1  0.977  0.909  0.231  1.0
  O  O10  1  0.023  0.091  0.769  1.0
  O  O11  1  0.091  0.769  0.023  1.0
  O  O12  1  0.769  0.023  0.091  1.0
  F  F13  1  0.519  0.910  0.910  1.0
  F  F14  1  0.636  0.541  0.945  1.0
  F  F15  1  0.541  0.945  0.636  1.0
  F  F16  1  0.910  0.519  0.910  1.0
  F  F17  1  0.100  0.748  0.789  1.0
  F  F18  1  0.252  0.211  0.900  1.0
  F  F19  1  0.910  0.910  0.519  1.0
  F  F20  1  0.945  0.636  0.541  1.0
  F  F21  1  0.379  0.460  0.801  1.0
  F  F22  1  0.377  0.729  0.751  1.0
  F  F23  1  0.271  0.249  0.623  1.0
  F  F24  1  0.199  0.621  0.540  1.0
  F  F25  1  0.540  0.199  0.621  1.0
  F  F26  1  0.211  0.900  0.252  1.0
  F  F27  1  0.249  0.623  0.271  1.0
  F  F28  1  0.751  0.377  0.729  1.0
  F  F29  1  0.789  0.100  0.748  1.0
  F  F30  1  0.460  0.801  0.379  1.0
  F  F31  1  0.801  0.379  0.460  1.0
  F  F32  1  0.729  0.751  0.377  1.0
  F  F33  1  0.623  0.271  0.249  1.0
  F  F34  1  0.621  0.540  0.199  1.0
  F  F35  1  0.055  0.364  0.459  1.0
  F  F36  1  0.090  0.090  0.481  1.0
  F  F37  1  0.748  0.789  0.100  1.0
  F  F38  1  0.900  0.252  0.211  1.0
  F  F39  1  0.090  0.481  0.090  1.0
  F  F40  1  0.459  0.055  0.364  1.0
  F  F41  1  0.364  0.459  0.055  1.0
  F  F42  1  0.481  0.090  0.090  1.0
[/CIF]
.
The material described by W7(OF5)6 is Copper structured and crystallizes in the trigonal R-3 space group. The structure is zero-dimensional and consists of three W7(OF5)6 clusters. There are two inequivalent W sites. In the first W site, W(1) is bonded to six equivalent O(1) atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles are 30°. In the second W site, W(2) 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 corner-sharing WOF5 octahedra. The corner-sharing octahedral tilt angles are 30°. O(1) is bonded in a bent 150 degrees geometry to one W(1) and one W(2) atom. There are five inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one W(2) atom. In the second F site, F(2) is bonded in a single-bond geometry to one W(2) atom. In the third F site, F(3) is bonded in a single-bond geometry to one W(2) atom. In the fourth F site, F(4) is bonded in a single-bond geometry to one W(2) atom. In the fifth F site, F(5) is bonded in a single-bond geometry to one W(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_W7(OF5)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.980
_cell_length_b   10.980
_cell_length_c   10.980
_cell_angle_alpha   50.245
_cell_angle_beta   50.245
_cell_angle_gamma   50.245
_symmetry_Int_Tables_number   1
_cell_volume   720.421
_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
  W  W0  1  0.000  0.000  0.000  1.0
  W  W1  1  0.233  0.605  0.921  1.0
  W  W2  1  0.395  0.079  0.767  1.0
  W  W3  1  0.079  0.767  0.395  1.0
  W  W4  1  0.921  0.233  0.605  1.0
  W  W5  1  0.605  0.921  0.233  1.0
  W  W6  1  0.767  0.395  0.079  1.0
  O  O7  1  0.231  0.977  0.909  1.0
  O  O8  1  0.909  0.231  0.977  1.0
  O  O9  1  0.977  0.909  0.231  1.0
  O  O10  1  0.023  0.091  0.769  1.0
  O  O11  1  0.091  0.769  0.023  1.0
  O  O12  1  0.769  0.023  0.091  1.0
  F  F13  1  0.519  0.910  0.910  1.0
  F  F14  1  0.636  0.541  0.945  1.0
  F  F15  1  0.541  0.945  0.636  1.0
  F  F16  1  0.910  0.519  0.910  1.0
  F  F17  1  0.100  0.748  0.789  1.0
  F  F18  1  0.252  0.211  0.900  1.0
  F  F19  1  0.910  0.910  0.519  1.0
  F  F20  1  0.945  0.636  0.541  1.0
  F  F21  1  0.379  0.460  0.801  1.0
  F  F22  1  0.377  0.729  0.751  1.0
  F  F23  1  0.271  0.249  0.623  1.0
  F  F24  1  0.199  0.621  0.540  1.0
  F  F25  1  0.540  0.199  0.621  1.0
  F  F26  1  0.211  0.900  0.252  1.0
  F  F27  1  0.249  0.623  0.271  1.0
  F  F28  1  0.751  0.377  0.729  1.0
  F  F29  1  0.789  0.100  0.748  1.0
  F  F30  1  0.460  0.801  0.379  1.0
  F  F31  1  0.801  0.379  0.460  1.0
  F  F32  1  0.729  0.751  0.377  1.0
  F  F33  1  0.623  0.271  0.249  1.0
  F  F34  1  0.621  0.540  0.199  1.0
  F  F35  1  0.055  0.364  0.459  1.0
  F  F36  1  0.090  0.090  0.481  1.0
  F  F37  1  0.748  0.789  0.100  1.0
  F  F38  1  0.900  0.252  0.211  1.0
  F  F39  1  0.090  0.481  0.090  1.0
  F  F40  1  0.459  0.055  0.364  1.0
  F  F41  1  0.364  0.459  0.055  1.0
  F  F42  1  0.481  0.090  0.090  1.0
[/CIF]
.