The material structure described by Na4UO5 is Caswellsilverite-like structured and crystallizes in the tetragonal I4/m space group. Na(1) is bonded to one O(2) and five equivalent O(1) atoms to form NaO6 octahedra that share  a cornercorner with one U(1)O6 octahedra, corners with five equivalent Na(1)O6 octahedra, edges with three equivalent U(1)O6 octahedra, and edges with nine equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-18°. U(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form UO6 octahedra that share corners with two equivalent U(1)O6 octahedra, corners with four equivalent Na(1)O6 octahedra, and edges with twelve equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are two inequivalent O sites. In the first O site, O(1) is bonded to five equivalent Na(1) and one U(1) atom to form distorted ONa5U octahedra that share  a cornercorner with one O(2)Na4U2 octahedra, corners with five equivalent O(1)Na5U octahedra, edges with three equivalent O(2)Na4U2 octahedra, and edges with nine equivalent O(1)Na5U octahedra. The corner-sharing octahedral tilt angles range from 0-18°. In the second O site, O(2) is bonded to four equivalent Na(1) and two equivalent U(1) atoms to form ONa4U2 octahedra that share corners with two equivalent O(2)Na4U2 octahedra, corners with four equivalent O(1)Na5U octahedra, and edges with twelve equivalent O(1)Na5U octahedra. The corner-sharing octahedral tilt angles range from 0-11°. is represented by the CIF file [CIF]
data_Na4UO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.622
_cell_length_b   5.761
_cell_length_c   5.761
_cell_angle_alpha   80.742
_cell_angle_beta   66.353
_cell_angle_gamma   66.353
_symmetry_Int_Tables_number   1
_cell_volume   128.717
_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  0.595  0.599  0.210  1.0
  Na  Na1  1  0.405  0.401  0.790  1.0
  Na  Na2  1  0.195  0.210  0.401  1.0
  Na  Na3  1  0.805  0.790  0.599  1.0
  U  U4  1  0.000  0.000  0.000  1.0
  O  O5  1  0.741  0.179  0.339  1.0
  O  O6  1  0.080  0.661  0.179  1.0
  O  O7  1  0.920  0.339  0.821  1.0
  O  O8  1  0.259  0.821  0.661  1.0
  O  O9  1  0.500  0.000  0.000  1.0
[/CIF]
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The material structure described by Na4UO5 is Caswellsilverite-like structured and crystallizes in the tetragonal I4/m space group. Na(1) is bonded to one O(2) and five equivalent O(1) atoms to form NaO6 octahedra that share  a cornercorner with one U(1)O6 octahedra, corners with five equivalent Na(1)O6 octahedra, edges with three equivalent U(1)O6 octahedra, and edges with nine equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-18°. U(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form UO6 octahedra that share corners with two equivalent U(1)O6 octahedra, corners with four equivalent Na(1)O6 octahedra, and edges with twelve equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are two inequivalent O sites. In the first O site, O(1) is bonded to five equivalent Na(1) and one U(1) atom to form distorted ONa5U octahedra that share  a cornercorner with one O(2)Na4U2 octahedra, corners with five equivalent O(1)Na5U octahedra, edges with three equivalent O(2)Na4U2 octahedra, and edges with nine equivalent O(1)Na5U octahedra. The corner-sharing octahedral tilt angles range from 0-18°. In the second O site, O(2) is bonded to four equivalent Na(1) and two equivalent U(1) atoms to form ONa4U2 octahedra that share corners with two equivalent O(2)Na4U2 octahedra, corners with four equivalent O(1)Na5U octahedra, and edges with twelve equivalent O(1)Na5U octahedra. The corner-sharing octahedral tilt angles range from 0-11°. is represented by the CIF file [CIF]
data_Na4UO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.622
_cell_length_b   5.761
_cell_length_c   5.761
_cell_angle_alpha   80.742
_cell_angle_beta   66.353
_cell_angle_gamma   66.353
_symmetry_Int_Tables_number   1
_cell_volume   128.717
_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  0.595  0.599  0.210  1.0
  Na  Na1  1  0.405  0.401  0.790  1.0
  Na  Na2  1  0.195  0.210  0.401  1.0
  Na  Na3  1  0.805  0.790  0.599  1.0
  U  U4  1  0.000  0.000  0.000  1.0
  O  O5  1  0.741  0.179  0.339  1.0
  O  O6  1  0.080  0.661  0.179  1.0
  O  O7  1  0.920  0.339  0.821  1.0
  O  O8  1  0.259  0.821  0.661  1.0
  O  O9  1  0.500  0.000  0.000  1.0
[/CIF]
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