The material structure described by NaUO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Na(1) is bonded in a 8-coordinate geometry to two equivalent O(2) and six equivalent O(1) atoms. U(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing UO6 octahedra. The corner-sharing octahedral tilt angles are 33°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Na(1) and two equivalent U(1) atoms. In the second O site, O(2) is bonded to two equivalent Na(1) and two equivalent U(1) atoms to form distorted corner-sharing ONa2U2 tetrahedra. is represented by the CIF card [CIF]
data_NaUO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.745
_cell_length_b   5.906
_cell_length_c   8.261
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   280.299
_cell_formula_units_Z   4
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  0.508  0.536  0.250  1.0
  Na  Na1  1  0.008  0.964  0.750  1.0
  Na  Na2  1  0.992  0.036  0.250  1.0
  Na  Na3  1  0.492  0.464  0.750  1.0
  U  U4  1  0.000  0.500  0.000  1.0
  U  U5  1  0.500  0.000  0.000  1.0
  U  U6  1  0.500  0.000  0.500  1.0
  U  U7  1  0.000  0.500  0.500  1.0
  O  O8  1  0.696  0.300  0.447  1.0
  O  O9  1  0.196  0.200  0.553  1.0
  O  O10  1  0.804  0.800  0.053  1.0
  O  O11  1  0.304  0.700  0.947  1.0
  O  O12  1  0.304  0.700  0.553  1.0
  O  O13  1  0.804  0.800  0.447  1.0
  O  O14  1  0.196  0.200  0.947  1.0
  O  O15  1  0.696  0.300  0.053  1.0
  O  O16  1  0.101  0.463  0.250  1.0
  O  O17  1  0.601  0.037  0.750  1.0
  O  O18  1  0.399  0.963  0.250  1.0
  O  O19  1  0.899  0.537  0.750  1.0
[/CIF]
.
The material structure described by NaUO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Na(1) is bonded in a 8-coordinate geometry to two equivalent O(2) and six equivalent O(1) atoms. U(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing UO6 octahedra. The corner-sharing octahedral tilt angles are 33°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Na(1) and two equivalent U(1) atoms. In the second O site, O(2) is bonded to two equivalent Na(1) and two equivalent U(1) atoms to form distorted corner-sharing ONa2U2 tetrahedra. is represented by the CIF card [CIF]
data_NaUO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.745
_cell_length_b   5.906
_cell_length_c   8.261
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   280.299
_cell_formula_units_Z   4
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  0.508  0.536  0.250  1.0
  Na  Na1  1  0.008  0.964  0.750  1.0
  Na  Na2  1  0.992  0.036  0.250  1.0
  Na  Na3  1  0.492  0.464  0.750  1.0
  U  U4  1  0.000  0.500  0.000  1.0
  U  U5  1  0.500  0.000  0.000  1.0
  U  U6  1  0.500  0.000  0.500  1.0
  U  U7  1  0.000  0.500  0.500  1.0
  O  O8  1  0.696  0.300  0.447  1.0
  O  O9  1  0.196  0.200  0.553  1.0
  O  O10  1  0.804  0.800  0.053  1.0
  O  O11  1  0.304  0.700  0.947  1.0
  O  O12  1  0.304  0.700  0.553  1.0
  O  O13  1  0.804  0.800  0.447  1.0
  O  O14  1  0.196  0.200  0.947  1.0
  O  O15  1  0.696  0.300  0.053  1.0
  O  O16  1  0.101  0.463  0.250  1.0
  O  O17  1  0.601  0.037  0.750  1.0
  O  O18  1  0.399  0.963  0.250  1.0
  O  O19  1  0.899  0.537  0.750  1.0
[/CIF]
.