The material described by Na3AuN2 crystallizes in the tetragonal I4_1/amd space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 2-coordinate geometry to two equivalent N(1) atoms. In the second Na site, Na(2) is bonded to four equivalent N(1) atoms to form a mixture of distorted edge and corner-sharing NaN4 tetrahedra. Au(1) is bonded in a distorted linear geometry to two equivalent N(1) atoms. N(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 NNa5Au octahedra. The corner-sharing octahedral tilt angles range from 0-80°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3AuN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.790
_cell_length_b   8.339
_cell_length_c   13.037
_cell_angle_alpha   90.000
_cell_angle_beta   137.869
_cell_angle_gamma   118.317
_symmetry_Int_Tables_number   1
_cell_volume   453.275
_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  0.000  0.500  0.369  1.0
  Na  Na1  1  0.000  0.000  0.881  1.0
  Na  Na2  1  0.000  0.500  0.131  1.0
  Na  Na3  1  0.000  0.000  0.119  1.0
  Na  Na4  1  0.557  0.500  0.529  1.0
  Na  Na5  1  0.443  0.500  0.971  1.0
  Na  Na6  1  0.557  0.000  0.279  1.0
  Na  Na7  1  0.443  0.000  0.721  1.0
  Na  Na8  1  0.443  0.943  0.971  1.0
  Na  Na9  1  0.557  0.057  0.529  1.0
  Na  Na10  1  0.443  0.443  0.721  1.0
  Na  Na11  1  0.557  0.557  0.279  1.0
  Au  Au12  1  0.000  0.500  0.598  1.0
  Au  Au13  1  0.000  0.000  0.652  1.0
  Au  Au14  1  0.000  0.500  0.902  1.0
  Au  Au15  1  0.000  0.000  0.348  1.0
  N  N16  1  0.538  0.269  0.367  1.0
  N  N17  1  0.462  0.731  0.829  1.0
  N  N18  1  0.538  0.769  0.421  1.0
  N  N19  1  0.462  0.231  0.883  1.0
  N  N20  1  0.000  0.731  0.902  1.0
  N  N21  1  0.000  0.269  0.902  1.0
  N  N22  1  0.000  0.231  0.348  1.0
  N  N23  1  0.000  0.769  0.348  1.0
[/CIF]
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The material described by Na3AuN2 crystallizes in the tetragonal I4_1/amd space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 2-coordinate geometry to two equivalent N(1) atoms. In the second Na site, Na(2) is bonded to four equivalent N(1) atoms to form a mixture of distorted edge and corner-sharing NaN4 tetrahedra. Au(1) is bonded in a distorted linear geometry to two equivalent N(1) atoms. N(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 NNa5Au octahedra. The corner-sharing octahedral tilt angles range from 0-80°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3AuN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.790
_cell_length_b   8.339
_cell_length_c   13.037
_cell_angle_alpha   90.000
_cell_angle_beta   137.869
_cell_angle_gamma   118.317
_symmetry_Int_Tables_number   1
_cell_volume   453.275
_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  0.000  0.500  0.369  1.0
  Na  Na1  1  0.000  0.000  0.881  1.0
  Na  Na2  1  0.000  0.500  0.131  1.0
  Na  Na3  1  0.000  0.000  0.119  1.0
  Na  Na4  1  0.557  0.500  0.529  1.0
  Na  Na5  1  0.443  0.500  0.971  1.0
  Na  Na6  1  0.557  0.000  0.279  1.0
  Na  Na7  1  0.443  0.000  0.721  1.0
  Na  Na8  1  0.443  0.943  0.971  1.0
  Na  Na9  1  0.557  0.057  0.529  1.0
  Na  Na10  1  0.443  0.443  0.721  1.0
  Na  Na11  1  0.557  0.557  0.279  1.0
  Au  Au12  1  0.000  0.500  0.598  1.0
  Au  Au13  1  0.000  0.000  0.652  1.0
  Au  Au14  1  0.000  0.500  0.902  1.0
  Au  Au15  1  0.000  0.000  0.348  1.0
  N  N16  1  0.538  0.269  0.367  1.0
  N  N17  1  0.462  0.731  0.829  1.0
  N  N18  1  0.538  0.769  0.421  1.0
  N  N19  1  0.462  0.231  0.883  1.0
  N  N20  1  0.000  0.731  0.902  1.0
  N  N21  1  0.000  0.269  0.902  1.0
  N  N22  1  0.000  0.231  0.348  1.0
  N  N23  1  0.000  0.769  0.348  1.0
[/CIF]
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