The material described by Na2UF6 crystallizes in the trigonal P321 space group. Na(1) is bonded in a 9-coordinate geometry to three equivalent F(1) and six equivalent F(2) atoms. U(1) is bonded in a 9-coordinate geometry to three equivalent F(2) and six equivalent F(1) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded to two equivalent Na(1) and two equivalent U(1) atoms to form a mixture of corner and edge-sharing FNa2U2 tetrahedra. In the second F site, F(2) is bonded in a 5-coordinate geometry to four equivalent Na(1) and one U(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2UF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.896
_cell_length_b   5.896
_cell_length_c   3.730
_cell_angle_alpha   89.999
_cell_angle_beta   90.000
_cell_angle_gamma   120.003
_symmetry_Int_Tables_number   1
_cell_volume   112.292
_cell_formula_units_Z   1
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
  Na  Na0  1  0.333  0.667  0.426  1.0
  Na  Na1  1  0.667  0.333  0.574  1.0
  U  U2  1  1.000  1.000  0.000  1.0
  F  F3  1  0.750  0.750  0.500  1.0
  F  F4  1  0.000  0.250  0.500  1.0
  F  F5  1  0.250  1.000  0.500  1.0
  F  F6  1  0.621  1.000  0.000  1.0
  F  F7  1  1.000  0.621  1.000  1.0
  F  F8  1  0.379  0.379  0.000  1.0
[/CIF]
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The material described by Na2UF6 crystallizes in the trigonal P321 space group. Na(1) is bonded in a 9-coordinate geometry to three equivalent F(1) and six equivalent F(2) atoms. U(1) is bonded in a 9-coordinate geometry to three equivalent F(2) and six equivalent F(1) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded to two equivalent Na(1) and two equivalent U(1) atoms to form a mixture of corner and edge-sharing FNa2U2 tetrahedra. In the second F site, F(2) is bonded in a 5-coordinate geometry to four equivalent Na(1) and one U(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2UF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.896
_cell_length_b   5.896
_cell_length_c   3.730
_cell_angle_alpha   89.999
_cell_angle_beta   90.000
_cell_angle_gamma   120.003
_symmetry_Int_Tables_number   1
_cell_volume   112.292
_cell_formula_units_Z   1
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
  Na  Na0  1  0.333  0.667  0.426  1.0
  Na  Na1  1  0.667  0.333  0.574  1.0
  U  U2  1  1.000  1.000  0.000  1.0
  F  F3  1  0.750  0.750  0.500  1.0
  F  F4  1  0.000  0.250  0.500  1.0
  F  F5  1  0.250  1.000  0.500  1.0
  F  F6  1  0.621  1.000  0.000  1.0
  F  F7  1  1.000  0.621  1.000  1.0
  F  F8  1  0.379  0.379  0.000  1.0
[/CIF]
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