The material structure described by Na3AuO2 crystallizes in the tetragonal P4_2/mnm space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a linear geometry to two equivalent O(1) atoms. In the second Na site, Na(2) is bonded in a distorted see-saw-like geometry to four equivalent O(1) atoms. Au(1) is bonded in a linear geometry to two equivalent O(1) atoms. O(1) is bonded to one Na(1), four equivalent Na(2), and one Au(1) atom to form a mixture of edge and corner-sharing ONa5Au octahedra. The corner-sharing octahedral tilt angles range from 3-18°. is represented by the CIF card [CIF]
data_Na3AuO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.636
_cell_length_b   9.636
_cell_length_c   4.548
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   422.245
_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  0.659  0.659  0.500  1.0
  Na  Na1  1  0.151  0.512  0.000  1.0
  Na  Na2  1  0.988  0.651  0.500  1.0
  Na  Na3  1  0.849  0.488  0.000  1.0
  Na  Na4  1  0.349  0.012  0.500  1.0
  Na  Na5  1  0.651  0.988  0.500  1.0
  Na  Na6  1  0.512  0.151  0.000  1.0
  Na  Na7  1  0.488  0.849  0.000  1.0
  Na  Na8  1  0.841  0.159  0.000  1.0
  Na  Na9  1  0.341  0.341  0.500  1.0
  Na  Na10  1  0.012  0.349  0.500  1.0
  Na  Na11  1  0.159  0.841  0.000  1.0
  Au  Au12  1  0.833  0.833  0.000  1.0
  Au  Au13  1  0.333  0.667  0.500  1.0
  Au  Au14  1  0.667  0.333  0.500  1.0
  Au  Au15  1  0.167  0.167  0.000  1.0
  O  O16  1  0.310  0.016  0.000  1.0
  O  O17  1  0.690  0.984  0.000  1.0
  O  O18  1  0.484  0.810  0.500  1.0
  O  O19  1  0.516  0.190  0.500  1.0
  O  O20  1  0.190  0.516  0.500  1.0
  O  O21  1  0.984  0.690  0.000  1.0
  O  O22  1  0.016  0.310  0.000  1.0
  O  O23  1  0.810  0.484  0.500  1.0
[/CIF]
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The material structure described by Na3AuO2 crystallizes in the tetragonal P4_2/mnm space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a linear geometry to two equivalent O(1) atoms. In the second Na site, Na(2) is bonded in a distorted see-saw-like geometry to four equivalent O(1) atoms. Au(1) is bonded in a linear geometry to two equivalent O(1) atoms. O(1) is bonded to one Na(1), four equivalent Na(2), and one Au(1) atom to form a mixture of edge and corner-sharing ONa5Au octahedra. The corner-sharing octahedral tilt angles range from 3-18°. is represented by the CIF card [CIF]
data_Na3AuO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.636
_cell_length_b   9.636
_cell_length_c   4.548
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   422.245
_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  0.659  0.659  0.500  1.0
  Na  Na1  1  0.151  0.512  0.000  1.0
  Na  Na2  1  0.988  0.651  0.500  1.0
  Na  Na3  1  0.849  0.488  0.000  1.0
  Na  Na4  1  0.349  0.012  0.500  1.0
  Na  Na5  1  0.651  0.988  0.500  1.0
  Na  Na6  1  0.512  0.151  0.000  1.0
  Na  Na7  1  0.488  0.849  0.000  1.0
  Na  Na8  1  0.841  0.159  0.000  1.0
  Na  Na9  1  0.341  0.341  0.500  1.0
  Na  Na10  1  0.012  0.349  0.500  1.0
  Na  Na11  1  0.159  0.841  0.000  1.0
  Au  Au12  1  0.833  0.833  0.000  1.0
  Au  Au13  1  0.333  0.667  0.500  1.0
  Au  Au14  1  0.667  0.333  0.500  1.0
  Au  Au15  1  0.167  0.167  0.000  1.0
  O  O16  1  0.310  0.016  0.000  1.0
  O  O17  1  0.690  0.984  0.000  1.0
  O  O18  1  0.484  0.810  0.500  1.0
  O  O19  1  0.516  0.190  0.500  1.0
  O  O20  1  0.190  0.516  0.500  1.0
  O  O21  1  0.984  0.690  0.000  1.0
  O  O22  1  0.016  0.310  0.000  1.0
  O  O23  1  0.810  0.484  0.500  1.0
[/CIF]
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