The material described by WOF4 is Indium-like structured and crystallizes in the tetragonal I-4 space group. The structure is zero-dimensional and consists of two WOF4 clusters. W(1) is bonded to two equivalent O(1), one F(1), one F(2), one F(3), and one F(4) atom to form corner-sharing WO2F4 octahedra. The corner-sharing octahedral tilt angles are 6°. O(1) is bonded in a linear geometry to two equivalent W(1) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one W(1) atom. In the second F site, F(2) is bonded in a single-bond geometry to one W(1) atom. In the third F site, F(3) is bonded in a single-bond geometry to one W(1) atom. In the fourth F site, F(4) is bonded in a single-bond geometry to one W(1) atom. is represented by the CIF card [CIF]
data_WOF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.362
_cell_length_b   8.362
_cell_length_c   8.361
_cell_angle_alpha   98.442
_cell_angle_beta   98.451
_cell_angle_gamma   134.934
_symmetry_Int_Tables_number   1
_cell_volume   382.259
_cell_formula_units_Z   4
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  0.910  0.727  0.710  1.0
  W  W1  1  0.800  0.090  0.817  1.0
  W  W2  1  0.273  0.983  0.183  1.0
  W  W3  1  0.017  0.200  0.290  1.0
  O  O4  1  0.076  0.838  0.945  1.0
  O  O5  1  0.162  0.106  0.238  1.0
  O  O6  1  0.868  0.924  0.762  1.0
  O  O7  1  0.894  0.132  0.055  1.0
  F  F8  1  0.616  0.475  0.730  1.0
  F  F9  1  0.196  0.978  0.677  1.0
  F  F10  1  0.731  0.255  0.876  1.0
  F  F11  1  0.745  0.620  0.476  1.0
  F  F12  1  0.950  0.537  0.656  1.0
  F  F13  1  0.463  0.120  0.413  1.0
  F  F14  1  0.482  0.804  0.783  1.0
  F  F15  1  0.114  0.384  0.859  1.0
  F  F16  1  0.525  0.256  0.141  1.0
  F  F17  1  0.022  0.699  0.217  1.0
  F  F18  1  0.706  0.050  0.587  1.0
  F  F19  1  0.880  0.294  0.344  1.0
  F  F20  1  0.144  0.269  0.524  1.0
  F  F21  1  0.380  0.856  0.124  1.0
  F  F22  1  0.301  0.518  0.323  1.0
  F  F23  1  0.744  0.885  0.270  1.0
[/CIF]
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The material described by WOF4 is Indium-like structured and crystallizes in the tetragonal I-4 space group. The structure is zero-dimensional and consists of two WOF4 clusters. W(1) is bonded to two equivalent O(1), one F(1), one F(2), one F(3), and one F(4) atom to form corner-sharing WO2F4 octahedra. The corner-sharing octahedral tilt angles are 6°. O(1) is bonded in a linear geometry to two equivalent W(1) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one W(1) atom. In the second F site, F(2) is bonded in a single-bond geometry to one W(1) atom. In the third F site, F(3) is bonded in a single-bond geometry to one W(1) atom. In the fourth F site, F(4) is bonded in a single-bond geometry to one W(1) atom. is represented by the CIF card [CIF]
data_WOF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.362
_cell_length_b   8.362
_cell_length_c   8.361
_cell_angle_alpha   98.442
_cell_angle_beta   98.451
_cell_angle_gamma   134.934
_symmetry_Int_Tables_number   1
_cell_volume   382.259
_cell_formula_units_Z   4
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  0.910  0.727  0.710  1.0
  W  W1  1  0.800  0.090  0.817  1.0
  W  W2  1  0.273  0.983  0.183  1.0
  W  W3  1  0.017  0.200  0.290  1.0
  O  O4  1  0.076  0.838  0.945  1.0
  O  O5  1  0.162  0.106  0.238  1.0
  O  O6  1  0.868  0.924  0.762  1.0
  O  O7  1  0.894  0.132  0.055  1.0
  F  F8  1  0.616  0.475  0.730  1.0
  F  F9  1  0.196  0.978  0.677  1.0
  F  F10  1  0.731  0.255  0.876  1.0
  F  F11  1  0.745  0.620  0.476  1.0
  F  F12  1  0.950  0.537  0.656  1.0
  F  F13  1  0.463  0.120  0.413  1.0
  F  F14  1  0.482  0.804  0.783  1.0
  F  F15  1  0.114  0.384  0.859  1.0
  F  F16  1  0.525  0.256  0.141  1.0
  F  F17  1  0.022  0.699  0.217  1.0
  F  F18  1  0.706  0.050  0.587  1.0
  F  F19  1  0.880  0.294  0.344  1.0
  F  F20  1  0.144  0.269  0.524  1.0
  F  F21  1  0.380  0.856  0.124  1.0
  F  F22  1  0.301  0.518  0.323  1.0
  F  F23  1  0.744  0.885  0.270  1.0
[/CIF]
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