The structure described by NaUO4 crystallizes in the trigonal R-3m space group. Na(1) is bonded in a distorted body-centered cubic geometry to two equivalent O(2) and six equivalent O(1) atoms. U(1) is bonded to two equivalent O(1) and six equivalent O(2) atoms to form edge-sharing UO8 hexagonal bipyramids. There are two inequivalent O sites. In the first O site, O(2) is bonded to one Na(1) and three equivalent U(1) atoms to form distorted ONaU3 trigonal pyramids that share corners with six equivalent O(1)Na3U tetrahedra, corners with ten equivalent O(2)NaU3 trigonal pyramids, edges with three equivalent O(1)Na3U tetrahedra, and edges with three equivalent O(2)NaU3 trigonal pyramids. In the second O site, O(1) is bonded to three equivalent Na(1) and one U(1) atom to form distorted ONa3U tetrahedra that share corners with ten equivalent O(1)Na3U tetrahedra, corners with six equivalent O(2)NaU3 trigonal pyramids, edges with three equivalent O(1)Na3U tetrahedra, and edges with three equivalent O(2)NaU3 trigonal pyramids. is represented by the CIF card [CIF]
data_NaUO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.991
_cell_length_b   3.991
_cell_length_c   6.428
_cell_angle_alpha   71.916
_cell_angle_beta   71.916
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   82.769
_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  0.500  0.500  0.500  1.0
  U  U1  1  0.000  0.000  0.000  1.0
  O  O2  1  0.895  0.895  0.314  1.0
  O  O3  1  0.105  0.105  0.686  1.0
  O  O4  1  0.663  0.663  0.011  1.0
  O  O5  1  0.337  0.337  0.989  1.0
[/CIF]
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The structure described by NaUO4 crystallizes in the trigonal R-3m space group. Na(1) is bonded in a distorted body-centered cubic geometry to two equivalent O(2) and six equivalent O(1) atoms. U(1) is bonded to two equivalent O(1) and six equivalent O(2) atoms to form edge-sharing UO8 hexagonal bipyramids. There are two inequivalent O sites. In the first O site, O(2) is bonded to one Na(1) and three equivalent U(1) atoms to form distorted ONaU3 trigonal pyramids that share corners with six equivalent O(1)Na3U tetrahedra, corners with ten equivalent O(2)NaU3 trigonal pyramids, edges with three equivalent O(1)Na3U tetrahedra, and edges with three equivalent O(2)NaU3 trigonal pyramids. In the second O site, O(1) is bonded to three equivalent Na(1) and one U(1) atom to form distorted ONa3U tetrahedra that share corners with ten equivalent O(1)Na3U tetrahedra, corners with six equivalent O(2)NaU3 trigonal pyramids, edges with three equivalent O(1)Na3U tetrahedra, and edges with three equivalent O(2)NaU3 trigonal pyramids. is represented by the CIF card [CIF]
data_NaUO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.991
_cell_length_b   3.991
_cell_length_c   6.428
_cell_angle_alpha   71.916
_cell_angle_beta   71.916
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   82.769
_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  0.500  0.500  0.500  1.0
  U  U1  1  0.000  0.000  0.000  1.0
  O  O2  1  0.895  0.895  0.314  1.0
  O  O3  1  0.105  0.105  0.686  1.0
  O  O4  1  0.663  0.663  0.011  1.0
  O  O5  1  0.337  0.337  0.989  1.0
[/CIF]
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