The crystal structure described by UF5 crystallizes in the tetragonal I-42d space group. U(1) is bonded in a 8-coordinate geometry to two equivalent F(2), two equivalent F(3), and four equivalent F(1) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to two equivalent U(1) atoms. In the second F site, F(2) is bonded in a single-bond geometry to one U(1) atom. In the third F site, F(3) is bonded in a linear geometry to two equivalent U(1) atoms. is represented by the CIF file [CIF]
data_UF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.601
_cell_length_b   8.601
_cell_length_c   8.601
_cell_angle_alpha   95.607
_cell_angle_beta   95.607
_cell_angle_gamma   143.571
_symmetry_Int_Tables_number   1
_cell_volume   358.847
_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
  U  U0  1  0.035  0.875  0.660  1.0
  U  U1  1  0.625  0.965  0.840  1.0
  U  U2  1  0.125  0.785  0.160  1.0
  U  U3  1  0.215  0.375  0.340  1.0
  F  F4  1  0.172  0.603  0.279  1.0
  F  F5  1  0.324  0.894  0.721  1.0
  F  F6  1  0.397  0.676  0.569  1.0
  F  F7  1  0.106  0.828  0.431  1.0
  F  F8  1  0.480  0.610  0.209  1.0
  F  F9  1  0.729  0.520  0.130  1.0
  F  F10  1  0.390  0.599  0.870  1.0
  F  F11  1  0.401  0.271  0.791  1.0
  F  F12  1  0.770  0.479  0.630  1.0
  F  F13  1  0.849  0.140  0.370  1.0
  F  F14  1  0.860  0.230  0.709  1.0
  F  F15  1  0.521  0.151  0.291  1.0
  F  F16  1  0.851  0.375  0.976  1.0
  F  F17  1  0.125  0.149  0.524  1.0
  F  F18  1  0.625  0.601  0.476  1.0
  F  F19  1  0.399  0.875  0.024  1.0
  F  F20  1  0.144  0.074  0.221  1.0
  F  F21  1  0.078  0.856  0.931  1.0
  F  F22  1  0.926  0.147  0.069  1.0
  F  F23  1  0.853  0.922  0.779  1.0
[/CIF]
.
The crystal structure described by UF5 crystallizes in the tetragonal I-42d space group. U(1) is bonded in a 8-coordinate geometry to two equivalent F(2), two equivalent F(3), and four equivalent F(1) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to two equivalent U(1) atoms. In the second F site, F(2) is bonded in a single-bond geometry to one U(1) atom. In the third F site, F(3) is bonded in a linear geometry to two equivalent U(1) atoms. is represented by the CIF file [CIF]
data_UF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.601
_cell_length_b   8.601
_cell_length_c   8.601
_cell_angle_alpha   95.607
_cell_angle_beta   95.607
_cell_angle_gamma   143.571
_symmetry_Int_Tables_number   1
_cell_volume   358.847
_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
  U  U0  1  0.035  0.875  0.660  1.0
  U  U1  1  0.625  0.965  0.840  1.0
  U  U2  1  0.125  0.785  0.160  1.0
  U  U3  1  0.215  0.375  0.340  1.0
  F  F4  1  0.172  0.603  0.279  1.0
  F  F5  1  0.324  0.894  0.721  1.0
  F  F6  1  0.397  0.676  0.569  1.0
  F  F7  1  0.106  0.828  0.431  1.0
  F  F8  1  0.480  0.610  0.209  1.0
  F  F9  1  0.729  0.520  0.130  1.0
  F  F10  1  0.390  0.599  0.870  1.0
  F  F11  1  0.401  0.271  0.791  1.0
  F  F12  1  0.770  0.479  0.630  1.0
  F  F13  1  0.849  0.140  0.370  1.0
  F  F14  1  0.860  0.230  0.709  1.0
  F  F15  1  0.521  0.151  0.291  1.0
  F  F16  1  0.851  0.375  0.976  1.0
  F  F17  1  0.125  0.149  0.524  1.0
  F  F18  1  0.625  0.601  0.476  1.0
  F  F19  1  0.399  0.875  0.024  1.0
  F  F20  1  0.144  0.074  0.221  1.0
  F  F21  1  0.078  0.856  0.931  1.0
  F  F22  1  0.926  0.147  0.069  1.0
  F  F23  1  0.853  0.922  0.779  1.0
[/CIF]
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