The material structure described by Na2UF6 crystallizes in the trigonal P3 space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded in a distorted hexagonal planar geometry to three equivalent F(3) and three equivalent F(4) atoms. In the second Na site, Na(2) is bonded in a 9-coordinate geometry to three equivalent F(1), three equivalent F(2), and three equivalent F(4) atoms. In the third Na site, Na(3) is bonded in a distorted octahedral geometry to three equivalent F(1) and three equivalent F(2) atoms. In the fourth Na site, Na(4) is bonded in a distorted q6 geometry to three equivalent F(1), three equivalent F(2), and three equivalent F(3) atoms. There are two inequivalent U sites. In the first U site, U(1) is bonded in a 9-coordinate geometry to three equivalent F(2), three equivalent F(3), and three equivalent F(4) atoms. In the second U site, U(2) is bonded in a 9-coordinate geometry to three equivalent F(1), three equivalent F(3), and three equivalent F(4) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded to one Na(2), one Na(3), one Na(4), and one U(2) atom to form distorted FNa3U trigonal pyramids that share corners with three equivalent F(2)Na3U tetrahedra, corners with four equivalent F(3)Na2U2 tetrahedra, corners with six equivalent F(4)Na2U2 tetrahedra, corners with four equivalent F(1)Na3U trigonal pyramids,  an edgeedge with one F(3)Na2U2 tetrahedra, edges with three equivalent F(2)Na3U tetrahedra, and edges with two equivalent F(1)Na3U trigonal pyramids. In the second F site, F(2) is bonded to one Na(2), one Na(3), one Na(4), and one U(1) atom to form FNa3U tetrahedra that share corners with four equivalent F(4)Na2U2 tetrahedra, corners with four equivalent F(2)Na3U tetrahedra, corners with six equivalent F(3)Na2U2 tetrahedra, corners with three equivalent F(1)Na3U trigonal pyramids,  an edgeedge with one F(4)Na2U2 tetrahedra, edges with two equivalent F(2)Na3U tetrahedra, and edges with three equivalent F(1)Na3U trigonal pyramids. In the third F site, F(3) is bonded to one Na(1), one Na(4), one U(1), and one U(2) atom to form FNa2U2 tetrahedra that share corners with three equivalent F(4)Na2U2 tetrahedra, corners with four equivalent F(3)Na2U2 tetrahedra, corners with six equivalent F(2)Na3U tetrahedra, corners with four equivalent F(1)Na3U trigonal pyramids, edges with two equivalent F(3)Na2U2 tetrahedra, edges with three equivalent F(4)Na2U2 tetrahedra, and  an edgeedge with one F(1)Na3U trigonal pyramid. In the fourth F site, F(4) is bonded to one Na(1), one Na(2), one U(1), and one U(2) atom to form FNa2U2 tetrahedra that share corners with three equivalent F(3)Na2U2 tetrahedra, corners with four equivalent F(4)Na2U2 tetrahedra, corners with four equivalent F(2)Na3U tetrahedra, corners with six equivalent F(1)Na3U trigonal pyramids,  an edgeedge with one F(2)Na3U tetrahedra, edges with two equivalent F(4)Na2U2 tetrahedra, and edges with three equivalent F(3)Na2U2 tetrahedra. is represented by the CIF file [CIF]
data_Na2UF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.059
_cell_length_b   6.059
_cell_length_c   7.135
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.003
_symmetry_Int_Tables_number   1
_cell_volume   226.878
_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
  Na  Na0  1  1.000  1.000  0.024  1.0
  Na  Na1  1  0.667  0.333  0.628  1.0
  Na  Na2  1  1.000  1.000  0.511  1.0
  Na  Na3  1  0.333  0.667  0.375  1.0
  U  U4  1  0.333  0.667  0.857  1.0
  U  U5  1  0.667  0.333  0.144  1.0
  F  F6  1  0.907  0.620  0.357  1.0
  F  F7  1  0.613  0.703  0.643  1.0
  F  F8  1  0.311  0.915  0.110  1.0
  F  F9  1  0.917  0.613  0.895  1.0
  F  F10  1  0.696  0.083  0.895  1.0
  F  F11  1  0.604  0.689  0.110  1.0
  F  F12  1  0.714  0.093  0.357  1.0
  F  F13  1  0.085  0.396  0.110  1.0
  F  F14  1  0.387  0.304  0.895  1.0
  F  F15  1  0.380  0.286  0.357  1.0
  F  F16  1  0.297  0.910  0.643  1.0
  F  F17  1  0.090  0.387  0.643  1.0
[/CIF]
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The material structure described by Na2UF6 crystallizes in the trigonal P3 space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded in a distorted hexagonal planar geometry to three equivalent F(3) and three equivalent F(4) atoms. In the second Na site, Na(2) is bonded in a 9-coordinate geometry to three equivalent F(1), three equivalent F(2), and three equivalent F(4) atoms. In the third Na site, Na(3) is bonded in a distorted octahedral geometry to three equivalent F(1) and three equivalent F(2) atoms. In the fourth Na site, Na(4) is bonded in a distorted q6 geometry to three equivalent F(1), three equivalent F(2), and three equivalent F(3) atoms. There are two inequivalent U sites. In the first U site, U(1) is bonded in a 9-coordinate geometry to three equivalent F(2), three equivalent F(3), and three equivalent F(4) atoms. In the second U site, U(2) is bonded in a 9-coordinate geometry to three equivalent F(1), three equivalent F(3), and three equivalent F(4) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded to one Na(2), one Na(3), one Na(4), and one U(2) atom to form distorted FNa3U trigonal pyramids that share corners with three equivalent F(2)Na3U tetrahedra, corners with four equivalent F(3)Na2U2 tetrahedra, corners with six equivalent F(4)Na2U2 tetrahedra, corners with four equivalent F(1)Na3U trigonal pyramids,  an edgeedge with one F(3)Na2U2 tetrahedra, edges with three equivalent F(2)Na3U tetrahedra, and edges with two equivalent F(1)Na3U trigonal pyramids. In the second F site, F(2) is bonded to one Na(2), one Na(3), one Na(4), and one U(1) atom to form FNa3U tetrahedra that share corners with four equivalent F(4)Na2U2 tetrahedra, corners with four equivalent F(2)Na3U tetrahedra, corners with six equivalent F(3)Na2U2 tetrahedra, corners with three equivalent F(1)Na3U trigonal pyramids,  an edgeedge with one F(4)Na2U2 tetrahedra, edges with two equivalent F(2)Na3U tetrahedra, and edges with three equivalent F(1)Na3U trigonal pyramids. In the third F site, F(3) is bonded to one Na(1), one Na(4), one U(1), and one U(2) atom to form FNa2U2 tetrahedra that share corners with three equivalent F(4)Na2U2 tetrahedra, corners with four equivalent F(3)Na2U2 tetrahedra, corners with six equivalent F(2)Na3U tetrahedra, corners with four equivalent F(1)Na3U trigonal pyramids, edges with two equivalent F(3)Na2U2 tetrahedra, edges with three equivalent F(4)Na2U2 tetrahedra, and  an edgeedge with one F(1)Na3U trigonal pyramid. In the fourth F site, F(4) is bonded to one Na(1), one Na(2), one U(1), and one U(2) atom to form FNa2U2 tetrahedra that share corners with three equivalent F(3)Na2U2 tetrahedra, corners with four equivalent F(4)Na2U2 tetrahedra, corners with four equivalent F(2)Na3U tetrahedra, corners with six equivalent F(1)Na3U trigonal pyramids,  an edgeedge with one F(2)Na3U tetrahedra, edges with two equivalent F(4)Na2U2 tetrahedra, and edges with three equivalent F(3)Na2U2 tetrahedra. is represented by the CIF file [CIF]
data_Na2UF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.059
_cell_length_b   6.059
_cell_length_c   7.135
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.003
_symmetry_Int_Tables_number   1
_cell_volume   226.878
_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
  Na  Na0  1  1.000  1.000  0.024  1.0
  Na  Na1  1  0.667  0.333  0.628  1.0
  Na  Na2  1  1.000  1.000  0.511  1.0
  Na  Na3  1  0.333  0.667  0.375  1.0
  U  U4  1  0.333  0.667  0.857  1.0
  U  U5  1  0.667  0.333  0.144  1.0
  F  F6  1  0.907  0.620  0.357  1.0
  F  F7  1  0.613  0.703  0.643  1.0
  F  F8  1  0.311  0.915  0.110  1.0
  F  F9  1  0.917  0.613  0.895  1.0
  F  F10  1  0.696  0.083  0.895  1.0
  F  F11  1  0.604  0.689  0.110  1.0
  F  F12  1  0.714  0.093  0.357  1.0
  F  F13  1  0.085  0.396  0.110  1.0
  F  F14  1  0.387  0.304  0.895  1.0
  F  F15  1  0.380  0.286  0.357  1.0
  F  F16  1  0.297  0.910  0.643  1.0
  F  F17  1  0.090  0.387  0.643  1.0
[/CIF]
.