The material structure described by U2F9 crystallizes in the tetragonal I-4 space group. U(1) is bonded in a 9-coordinate geometry to one F(5), two equivalent F(1), two equivalent F(2), two equivalent F(3), and two equivalent F(4) atoms. There are five 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 bent 150 degrees geometry to two equivalent U(1) atoms. In the third F site, F(3) is bonded in a bent 150 degrees geometry to two equivalent U(1) atoms. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to two equivalent U(1) atoms. In the fifth F site, F(5) is bonded in a linear geometry to two equivalent U(1) atoms. is represented by the CIF card [CIF]
data_U2F9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.307
_cell_length_b   7.307
_cell_length_c   7.311
_cell_angle_alpha   109.492
_cell_angle_beta   109.493
_cell_angle_gamma   109.438
_symmetry_Int_Tables_number   1
_cell_volume   300.494
_cell_formula_units_Z   2
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  0.000  0.001  0.625  1.0
  U  U1  1  0.999  0.624  0.999  1.0
  U  U2  1  0.625  1.000  1.000  1.0
  U  U3  1  0.376  0.375  0.375  1.0
  F  F4  1  0.773  0.998  0.773  1.0
  F  F5  1  0.225  1.000  0.227  1.0
  F  F6  1  1.000  0.227  0.225  1.0
  F  F7  1  0.002  0.775  0.775  1.0
  F  F8  1  0.650  0.650  0.414  1.0
  F  F9  1  0.350  0.764  1.000  1.0
  F  F10  1  0.764  0.350  0.000  1.0
  F  F11  1  0.998  0.764  0.350  1.0
  F  F12  1  0.584  0.235  0.236  1.0
  F  F13  1  0.236  0.586  0.235  1.0
  F  F14  1  0.765  0.001  0.350  1.0
  F  F15  1  0.351  0.002  0.765  1.0
  F  F16  1  0.998  0.348  0.764  1.0
  F  F17  1  0.414  0.649  0.651  1.0
  F  F18  1  0.652  0.416  0.651  1.0
  F  F19  1  0.236  0.236  0.586  1.0
  F  F20  1  0.227  0.227  1.000  1.0
  F  F21  1  0.773  0.773  0.000  1.0
[/CIF]
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The material structure described by U2F9 crystallizes in the tetragonal I-4 space group. U(1) is bonded in a 9-coordinate geometry to one F(5), two equivalent F(1), two equivalent F(2), two equivalent F(3), and two equivalent F(4) atoms. There are five 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 bent 150 degrees geometry to two equivalent U(1) atoms. In the third F site, F(3) is bonded in a bent 150 degrees geometry to two equivalent U(1) atoms. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to two equivalent U(1) atoms. In the fifth F site, F(5) is bonded in a linear geometry to two equivalent U(1) atoms. is represented by the CIF card [CIF]
data_U2F9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.307
_cell_length_b   7.307
_cell_length_c   7.311
_cell_angle_alpha   109.492
_cell_angle_beta   109.493
_cell_angle_gamma   109.438
_symmetry_Int_Tables_number   1
_cell_volume   300.494
_cell_formula_units_Z   2
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  0.000  0.001  0.625  1.0
  U  U1  1  0.999  0.624  0.999  1.0
  U  U2  1  0.625  1.000  1.000  1.0
  U  U3  1  0.376  0.375  0.375  1.0
  F  F4  1  0.773  0.998  0.773  1.0
  F  F5  1  0.225  1.000  0.227  1.0
  F  F6  1  1.000  0.227  0.225  1.0
  F  F7  1  0.002  0.775  0.775  1.0
  F  F8  1  0.650  0.650  0.414  1.0
  F  F9  1  0.350  0.764  1.000  1.0
  F  F10  1  0.764  0.350  0.000  1.0
  F  F11  1  0.998  0.764  0.350  1.0
  F  F12  1  0.584  0.235  0.236  1.0
  F  F13  1  0.236  0.586  0.235  1.0
  F  F14  1  0.765  0.001  0.350  1.0
  F  F15  1  0.351  0.002  0.765  1.0
  F  F16  1  0.998  0.348  0.764  1.0
  F  F17  1  0.414  0.649  0.651  1.0
  F  F18  1  0.652  0.416  0.651  1.0
  F  F19  1  0.236  0.236  0.586  1.0
  F  F20  1  0.227  0.227  1.000  1.0
  F  F21  1  0.773  0.773  0.000  1.0
[/CIF]
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