The compound described by UOF4 crystallizes in the trigonal R3m space group. U(1) is bonded to one O(1), one F(2), one F(3), and four equivalent F(1) atoms to form corner-sharing UOF6 pentagonal bipyramids. O(1) is bonded in a single-bond geometry to one U(1) atom. There are three inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees 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 single-bond geometry to one U(1) atom. is represented by the CIF file [CIF]
data_UOF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.899
_cell_length_b   7.899
_cell_length_c   7.899
_cell_angle_alpha   114.591
_cell_angle_beta   114.591
_cell_angle_gamma   114.591
_symmetry_Int_Tables_number   1
_cell_volume   285.871
_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
  U  U0  1  0.266  0.855  0.855  1.0
  U  U1  1  0.855  0.266  0.855  1.0
  U  U2  1  0.855  0.855  0.266  1.0
  O  O3  1  0.588  0.174  0.588  1.0
  O  O4  1  0.588  0.588  0.174  1.0
  O  O5  1  0.174  0.588  0.588  1.0
  F  F6  1  0.153  0.956  0.625  1.0
  F  F7  1  0.956  0.625  0.153  1.0
  F  F8  1  0.625  0.153  0.956  1.0
  F  F9  1  0.152  0.152  0.374  1.0
  F  F10  1  0.152  0.374  0.152  1.0
  F  F11  1  0.882  0.655  0.655  1.0
  F  F12  1  0.153  0.625  0.956  1.0
  F  F13  1  0.956  0.153  0.625  1.0
  F  F14  1  0.374  0.152  0.152  1.0
  F  F15  1  0.655  0.882  0.655  1.0
  F  F16  1  0.655  0.655  0.882  1.0
  F  F17  1  0.625  0.956  0.153  1.0
[/CIF]
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The compound described by UOF4 crystallizes in the trigonal R3m space group. U(1) is bonded to one O(1), one F(2), one F(3), and four equivalent F(1) atoms to form corner-sharing UOF6 pentagonal bipyramids. O(1) is bonded in a single-bond geometry to one U(1) atom. There are three inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees 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 single-bond geometry to one U(1) atom. is represented by the CIF file [CIF]
data_UOF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.899
_cell_length_b   7.899
_cell_length_c   7.899
_cell_angle_alpha   114.591
_cell_angle_beta   114.591
_cell_angle_gamma   114.591
_symmetry_Int_Tables_number   1
_cell_volume   285.871
_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
  U  U0  1  0.266  0.855  0.855  1.0
  U  U1  1  0.855  0.266  0.855  1.0
  U  U2  1  0.855  0.855  0.266  1.0
  O  O3  1  0.588  0.174  0.588  1.0
  O  O4  1  0.588  0.588  0.174  1.0
  O  O5  1  0.174  0.588  0.588  1.0
  F  F6  1  0.153  0.956  0.625  1.0
  F  F7  1  0.956  0.625  0.153  1.0
  F  F8  1  0.625  0.153  0.956  1.0
  F  F9  1  0.152  0.152  0.374  1.0
  F  F10  1  0.152  0.374  0.152  1.0
  F  F11  1  0.882  0.655  0.655  1.0
  F  F12  1  0.153  0.625  0.956  1.0
  F  F13  1  0.956  0.153  0.625  1.0
  F  F14  1  0.374  0.152  0.152  1.0
  F  F15  1  0.655  0.882  0.655  1.0
  F  F16  1  0.655  0.655  0.882  1.0
  F  F17  1  0.625  0.956  0.153  1.0
[/CIF]
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