The material described by NaAuSe2 crystallizes in the monoclinic P2_1/c space group. Na(1) is bonded to three equivalent Se(1) and three equivalent Se(2) atoms to form a mixture of corner and edge-sharing NaSe6 octahedra. The corner-sharing octahedral tilt angles range from 16-28°. Au(1) is bonded in a rectangular see-saw-like geometry to two equivalent Se(1) and two equivalent Se(2) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a 5-coordinate geometry to three equivalent Na(1) and two equivalent Au(1) atoms. In the second Se site, Se(2) is bonded to three equivalent Na(1) and two equivalent Au(1) atoms to form a mixture of distorted corner and edge-sharing SeNa3Au2 square pyramids. is represented by the CIF card [CIF]
data_NaAuSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.787
_cell_length_b   6.988
_cell_length_c   8.454
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   104.930
_symmetry_Int_Tables_number   1
_cell_volume   387.433
_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  0.987  0.270  0.132  1.0
  Na  Na1  1  0.513  0.730  0.632  1.0
  Na  Na2  1  0.013  0.730  0.868  1.0
  Na  Na3  1  0.487  0.270  0.368  1.0
  Au  Au4  1  0.507  0.217  0.869  1.0
  Au  Au5  1  0.993  0.783  0.369  1.0
  Au  Au6  1  0.493  0.783  0.131  1.0
  Au  Au7  1  0.007  0.217  0.631  1.0
  Se  Se8  1  0.214  0.981  0.577  1.0
  Se  Se9  1  0.286  0.019  0.077  1.0
  Se  Se10  1  0.786  0.019  0.423  1.0
  Se  Se11  1  0.714  0.981  0.923  1.0
  Se  Se12  1  0.248  0.415  0.831  1.0
  Se  Se13  1  0.252  0.585  0.331  1.0
  Se  Se14  1  0.752  0.585  0.169  1.0
  Se  Se15  1  0.748  0.415  0.669  1.0
[/CIF]
.
The material described by NaAuSe2 crystallizes in the monoclinic P2_1/c space group. Na(1) is bonded to three equivalent Se(1) and three equivalent Se(2) atoms to form a mixture of corner and edge-sharing NaSe6 octahedra. The corner-sharing octahedral tilt angles range from 16-28°. Au(1) is bonded in a rectangular see-saw-like geometry to two equivalent Se(1) and two equivalent Se(2) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a 5-coordinate geometry to three equivalent Na(1) and two equivalent Au(1) atoms. In the second Se site, Se(2) is bonded to three equivalent Na(1) and two equivalent Au(1) atoms to form a mixture of distorted corner and edge-sharing SeNa3Au2 square pyramids. is represented by the CIF card [CIF]
data_NaAuSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.787
_cell_length_b   6.988
_cell_length_c   8.454
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   104.930
_symmetry_Int_Tables_number   1
_cell_volume   387.433
_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  0.987  0.270  0.132  1.0
  Na  Na1  1  0.513  0.730  0.632  1.0
  Na  Na2  1  0.013  0.730  0.868  1.0
  Na  Na3  1  0.487  0.270  0.368  1.0
  Au  Au4  1  0.507  0.217  0.869  1.0
  Au  Au5  1  0.993  0.783  0.369  1.0
  Au  Au6  1  0.493  0.783  0.131  1.0
  Au  Au7  1  0.007  0.217  0.631  1.0
  Se  Se8  1  0.214  0.981  0.577  1.0
  Se  Se9  1  0.286  0.019  0.077  1.0
  Se  Se10  1  0.786  0.019  0.423  1.0
  Se  Se11  1  0.714  0.981  0.923  1.0
  Se  Se12  1  0.248  0.415  0.831  1.0
  Se  Se13  1  0.252  0.585  0.331  1.0
  Se  Se14  1  0.752  0.585  0.169  1.0
  Se  Se15  1  0.748  0.415  0.669  1.0
[/CIF]
.