The material structure described by SF6 is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of three sulfur hexafluoride molecules. S(1,2) is bonded in an octahedral geometry to six equivalent F(1,2,3,4,5,6,7,8,9) atoms. F(1,2,3,4,5,6,7,8,9) is bonded in a single-bond geometry to one S(1,2) atom. is represented by the CIF card [CIF]
data_SF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.711
_cell_length_b   7.875
_cell_length_c   8.012
_cell_angle_alpha   61.531
_cell_angle_beta   85.179
_cell_angle_gamma   85.464
_symmetry_Int_Tables_number   1
_cell_volume   260.107
_cell_formula_units_Z   3
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
  S  S0  1  0.000  0.000  0.000  1.0
  S  S1  1  0.413  0.666  0.670  1.0
  S  S2  1  0.587  0.334  0.330  1.0
  F  F3  1  0.123  0.909  0.204  1.0
  F  F4  1  0.877  0.091  0.796  1.0
  F  F5  1  0.876  0.800  0.052  1.0
  F  F6  1  0.124  0.200  0.948  1.0
  F  F7  1  0.713  0.060  0.079  1.0
  F  F8  1  0.287  0.940  0.921  1.0
  F  F9  1  0.237  0.590  0.866  1.0
  F  F10  1  0.763  0.410  0.134  1.0
  F  F11  1  0.590  0.743  0.473  1.0
  F  F12  1  0.410  0.257  0.527  1.0
  F  F13  1  0.190  0.584  0.594  1.0
  F  F14  1  0.810  0.416  0.406  1.0
  F  F15  1  0.637  0.749  0.745  1.0
  F  F16  1  0.363  0.251  0.255  1.0
  F  F17  1  0.234  0.865  0.592  1.0
  F  F18  1  0.766  0.135  0.408  1.0
  F  F19  1  0.593  0.468  0.747  1.0
  F  F20  1  0.407  0.532  0.253  1.0
[/CIF]
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The material structure described by SF6 is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of three sulfur hexafluoride molecules. S(1,2) is bonded in an octahedral geometry to six equivalent F(1,2,3,4,5,6,7,8,9) atoms. F(1,2,3,4,5,6,7,8,9) is bonded in a single-bond geometry to one S(1,2) atom. is represented by the CIF card [CIF]
data_SF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.711
_cell_length_b   7.875
_cell_length_c   8.012
_cell_angle_alpha   61.531
_cell_angle_beta   85.179
_cell_angle_gamma   85.464
_symmetry_Int_Tables_number   1
_cell_volume   260.107
_cell_formula_units_Z   3
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
  S  S0  1  0.000  0.000  0.000  1.0
  S  S1  1  0.413  0.666  0.670  1.0
  S  S2  1  0.587  0.334  0.330  1.0
  F  F3  1  0.123  0.909  0.204  1.0
  F  F4  1  0.877  0.091  0.796  1.0
  F  F5  1  0.876  0.800  0.052  1.0
  F  F6  1  0.124  0.200  0.948  1.0
  F  F7  1  0.713  0.060  0.079  1.0
  F  F8  1  0.287  0.940  0.921  1.0
  F  F9  1  0.237  0.590  0.866  1.0
  F  F10  1  0.763  0.410  0.134  1.0
  F  F11  1  0.590  0.743  0.473  1.0
  F  F12  1  0.410  0.257  0.527  1.0
  F  F13  1  0.190  0.584  0.594  1.0
  F  F14  1  0.810  0.416  0.406  1.0
  F  F15  1  0.637  0.749  0.745  1.0
  F  F16  1  0.363  0.251  0.255  1.0
  F  F17  1  0.234  0.865  0.592  1.0
  F  F18  1  0.766  0.135  0.408  1.0
  F  F19  1  0.593  0.468  0.747  1.0
  F  F20  1  0.407  0.532  0.253  1.0
[/CIF]
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