The compound described by Na3Au is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to four equivalent Na(2) and four equivalent Au(1) atoms to form distorted NaNa4Au4 tetrahedra that share corners with eight equivalent Na(2)Na8Au4 cuboctahedra, corners with eight equivalent Na(1)Na4Au4 tetrahedra, edges with four equivalent Na(2)Na8Au4 cuboctahedra, edges with twelve equivalent Na(1)Na4Au4 tetrahedra, and faces with six equivalent Na(1)Na4Au4 tetrahedra. In the second Na site, Na(2) is bonded to eight equivalent Na(1) and four equivalent Au(1) atoms to form distorted NaNa8Au4 cuboctahedra that share corners with four equivalent Na(2)Na8Au4 cuboctahedra, corners with sixteen equivalent Na(1)Na4Au4 tetrahedra, edges with eight equivalent Na(2)Na8Au4 cuboctahedra, edges with eight equivalent Na(1)Na4Au4 tetrahedra, and faces with four equivalent Na(2)Na8Au4 cuboctahedra. Au(1) is bonded in a distorted body-centered cubic geometry to four equivalent Na(2) and eight equivalent Na(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.165
_cell_length_b   5.165
_cell_length_c   5.165
_cell_angle_alpha   121.832
_cell_angle_beta   121.832
_cell_angle_gamma   86.854
_symmetry_Int_Tables_number   1
_cell_volume   94.601
_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  0.750  0.250  0.500  1.0
  Na  Na1  1  0.250  0.750  0.500  1.0
  Na  Na2  1  0.500  0.500  0.000  1.0
  Au  Au3  1  0.000  0.000  0.000  1.0
[/CIF]
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The compound described by Na3Au is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to four equivalent Na(2) and four equivalent Au(1) atoms to form distorted NaNa4Au4 tetrahedra that share corners with eight equivalent Na(2)Na8Au4 cuboctahedra, corners with eight equivalent Na(1)Na4Au4 tetrahedra, edges with four equivalent Na(2)Na8Au4 cuboctahedra, edges with twelve equivalent Na(1)Na4Au4 tetrahedra, and faces with six equivalent Na(1)Na4Au4 tetrahedra. In the second Na site, Na(2) is bonded to eight equivalent Na(1) and four equivalent Au(1) atoms to form distorted NaNa8Au4 cuboctahedra that share corners with four equivalent Na(2)Na8Au4 cuboctahedra, corners with sixteen equivalent Na(1)Na4Au4 tetrahedra, edges with eight equivalent Na(2)Na8Au4 cuboctahedra, edges with eight equivalent Na(1)Na4Au4 tetrahedra, and faces with four equivalent Na(2)Na8Au4 cuboctahedra. Au(1) is bonded in a distorted body-centered cubic geometry to four equivalent Na(2) and eight equivalent Na(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.165
_cell_length_b   5.165
_cell_length_c   5.165
_cell_angle_alpha   121.832
_cell_angle_beta   121.832
_cell_angle_gamma   86.854
_symmetry_Int_Tables_number   1
_cell_volume   94.601
_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  0.750  0.250  0.500  1.0
  Na  Na1  1  0.250  0.750  0.500  1.0
  Na  Na2  1  0.500  0.500  0.000  1.0
  Au  Au3  1  0.000  0.000  0.000  1.0
[/CIF]
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