The structure described by NaU3O8 crystallizes in the hexagonal P-62m space group. Na(1) is bonded in a 9-coordinate geometry to three equivalent O(1) and six equivalent O(2) atoms. U(1) is bonded to two equivalent O(1), two equivalent O(3), and three equivalent O(2) atoms to form a mixture of distorted corner and edge-sharing UO7 pentagonal bipyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded in a T-shaped geometry to one Na(1) and two equivalent U(1) atoms. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Na(1) and three equivalent U(1) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to three equivalent U(1) atoms. is represented by the CIF card [CIF]
data_NaU3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.887
_cell_length_b   6.887
_cell_length_c   4.203
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   172.642
_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  1.000  1.000  0.500  1.0
  U  U1  1  0.000  0.360  0.000  1.0
  U  U2  1  0.640  0.640  0.000  1.0
  U  U3  1  0.360  0.000  0.000  1.0
  O  O4  1  0.655  0.655  0.500  1.0
  O  O5  1  0.345  0.000  0.500  1.0
  O  O6  1  0.000  0.761  0.000  1.0
  O  O7  1  0.239  0.239  0.000  1.0
  O  O8  1  0.761  1.000  0.000  1.0
  O  O9  1  0.000  0.345  0.500  1.0
  O  O10  1  0.667  0.333  0.000  1.0
  O  O11  1  0.333  0.667  0.000  1.0
[/CIF]
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The structure described by NaU3O8 crystallizes in the hexagonal P-62m space group. Na(1) is bonded in a 9-coordinate geometry to three equivalent O(1) and six equivalent O(2) atoms. U(1) is bonded to two equivalent O(1), two equivalent O(3), and three equivalent O(2) atoms to form a mixture of distorted corner and edge-sharing UO7 pentagonal bipyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded in a T-shaped geometry to one Na(1) and two equivalent U(1) atoms. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Na(1) and three equivalent U(1) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to three equivalent U(1) atoms. is represented by the CIF card [CIF]
data_NaU3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.887
_cell_length_b   6.887
_cell_length_c   4.203
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   172.642
_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  1.000  1.000  0.500  1.0
  U  U1  1  0.000  0.360  0.000  1.0
  U  U2  1  0.640  0.640  0.000  1.0
  U  U3  1  0.360  0.000  0.000  1.0
  O  O4  1  0.655  0.655  0.500  1.0
  O  O5  1  0.345  0.000  0.500  1.0
  O  O6  1  0.000  0.761  0.000  1.0
  O  O7  1  0.239  0.239  0.000  1.0
  O  O8  1  0.761  1.000  0.000  1.0
  O  O9  1  0.000  0.345  0.500  1.0
  O  O10  1  0.667  0.333  0.000  1.0
  O  O11  1  0.333  0.667  0.000  1.0
[/CIF]
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