The material described by Na2UO3 is Clathrate-derived structured and crystallizes in the triclinic P1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form distorted corner-sharing NaO4 tetrahedra. In the second Na site, Na(2) is bonded in a distorted trigonal non-coplanar geometry to one O(3) and two equivalent O(1) atoms. U(1) is bonded in a see-saw-like geometry to one O(1), one O(3), and two equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), two equivalent Na(2), and one U(1) atom to form a mixture of distorted corner and edge-sharing ONa3U trigonal pyramids. In the second O site, O(2) is bonded in a trigonal planar geometry to one Na(1) and two equivalent U(1) atoms. In the third O site, O(3) is bonded to one Na(2), two equivalent Na(1), and one U(1) atom to form a mixture of distorted corner and edge-sharing ONa3U trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2UO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.682
_cell_length_b   5.792
_cell_length_c   6.541
_cell_angle_alpha   118.930
_cell_angle_beta   102.137
_cell_angle_gamma   91.000
_symmetry_Int_Tables_number   1
_cell_volume   118.182
_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  0.427  0.264  0.633  1.0
  Na  Na1  1  0.698  0.726  0.343  1.0
  U  U2  1  0.067  0.942  0.951  1.0
  O  O3  1  0.172  0.890  0.233  1.0
  O  O4  1  0.507  0.719  0.793  1.0
  O  O5  1  0.969  0.099  0.741  1.0
[/CIF]
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The material described by Na2UO3 is Clathrate-derived structured and crystallizes in the triclinic P1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form distorted corner-sharing NaO4 tetrahedra. In the second Na site, Na(2) is bonded in a distorted trigonal non-coplanar geometry to one O(3) and two equivalent O(1) atoms. U(1) is bonded in a see-saw-like geometry to one O(1), one O(3), and two equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), two equivalent Na(2), and one U(1) atom to form a mixture of distorted corner and edge-sharing ONa3U trigonal pyramids. In the second O site, O(2) is bonded in a trigonal planar geometry to one Na(1) and two equivalent U(1) atoms. In the third O site, O(3) is bonded to one Na(2), two equivalent Na(1), and one U(1) atom to form a mixture of distorted corner and edge-sharing ONa3U trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2UO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.682
_cell_length_b   5.792
_cell_length_c   6.541
_cell_angle_alpha   118.930
_cell_angle_beta   102.137
_cell_angle_gamma   91.000
_symmetry_Int_Tables_number   1
_cell_volume   118.182
_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  0.427  0.264  0.633  1.0
  Na  Na1  1  0.698  0.726  0.343  1.0
  U  U2  1  0.067  0.942  0.951  1.0
  O  O3  1  0.172  0.890  0.233  1.0
  O  O4  1  0.507  0.719  0.793  1.0
  O  O5  1  0.969  0.099  0.741  1.0
[/CIF]
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