The material described by UF5 crystallizes in the tetragonal I-42d space group. U(1) is bonded to one F(2), two equivalent F(1), and four equivalent F(3) atoms to form corner-sharing UF7 pentagonal bipyramids. There are three inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one U(1) atom. 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 bent 150 degrees geometry to two equivalent U(1) atoms. is represented by the CIF card [CIF]
data_UF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.792
_cell_length_b   8.792
_cell_length_c   8.792
_cell_angle_alpha   96.700
_cell_angle_beta   96.700
_cell_angle_gamma   140.055
_symmetry_Int_Tables_number   1
_cell_volume   410.098
_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  0.194  0.375  0.319  1.0
  U  U1  1  0.125  0.806  0.181  1.0
  U  U2  1  0.625  0.944  0.819  1.0
  U  U3  1  0.056  0.875  0.681  1.0
  F  F4  1  0.844  0.231  0.732  1.0
  F  F5  1  0.500  0.112  0.268  1.0
  F  F6  1  0.769  0.500  0.612  1.0
  F  F7  1  0.888  0.156  0.388  1.0
  F  F8  1  0.881  0.875  0.506  1.0
  F  F9  1  0.625  0.119  0.994  1.0
  F  F10  1  0.125  0.631  0.006  1.0
  F  F11  1  0.369  0.375  0.494  1.0
  F  F12  1  0.828  0.883  0.783  1.0
  F  F13  1  0.955  0.172  0.056  1.0
  F  F14  1  0.117  0.900  0.944  1.0
  F  F15  1  0.100  0.045  0.217  1.0
  F  F16  1  0.422  0.705  0.556  1.0
  F  F17  1  0.150  0.867  0.444  1.0
  F  F18  1  0.133  0.578  0.283  1.0
  F  F19  1  0.295  0.850  0.717  1.0
  F  F20  1  0.362  0.250  0.768  1.0
  F  F21  1  0.406  0.638  0.888  1.0
  F  F22  1  0.750  0.519  0.112  1.0
  F  F23  1  0.481  0.594  0.232  1.0
[/CIF]
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The material described by UF5 crystallizes in the tetragonal I-42d space group. U(1) is bonded to one F(2), two equivalent F(1), and four equivalent F(3) atoms to form corner-sharing UF7 pentagonal bipyramids. There are three inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one U(1) atom. 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 bent 150 degrees geometry to two equivalent U(1) atoms. is represented by the CIF card [CIF]
data_UF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.792
_cell_length_b   8.792
_cell_length_c   8.792
_cell_angle_alpha   96.700
_cell_angle_beta   96.700
_cell_angle_gamma   140.055
_symmetry_Int_Tables_number   1
_cell_volume   410.098
_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  0.194  0.375  0.319  1.0
  U  U1  1  0.125  0.806  0.181  1.0
  U  U2  1  0.625  0.944  0.819  1.0
  U  U3  1  0.056  0.875  0.681  1.0
  F  F4  1  0.844  0.231  0.732  1.0
  F  F5  1  0.500  0.112  0.268  1.0
  F  F6  1  0.769  0.500  0.612  1.0
  F  F7  1  0.888  0.156  0.388  1.0
  F  F8  1  0.881  0.875  0.506  1.0
  F  F9  1  0.625  0.119  0.994  1.0
  F  F10  1  0.125  0.631  0.006  1.0
  F  F11  1  0.369  0.375  0.494  1.0
  F  F12  1  0.828  0.883  0.783  1.0
  F  F13  1  0.955  0.172  0.056  1.0
  F  F14  1  0.117  0.900  0.944  1.0
  F  F15  1  0.100  0.045  0.217  1.0
  F  F16  1  0.422  0.705  0.556  1.0
  F  F17  1  0.150  0.867  0.444  1.0
  F  F18  1  0.133  0.578  0.283  1.0
  F  F19  1  0.295  0.850  0.717  1.0
  F  F20  1  0.362  0.250  0.768  1.0
  F  F21  1  0.406  0.638  0.888  1.0
  F  F22  1  0.750  0.519  0.112  1.0
  F  F23  1  0.481  0.594  0.232  1.0
[/CIF]
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