The material described by ScAuSi crystallizes in the hexagonal P-6m2 space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 6-coordinate geometry to six equivalent Au(1) atoms. In the second Sc site, Sc(2) is bonded in a 12-coordinate geometry to six equivalent Au(1) and six equivalent Si(1) atoms. Au(1) is bonded in a 6-coordinate geometry to three equivalent Sc(1), three equivalent Sc(2), and three equivalent Si(1) atoms. Si(1) is bonded in a 6-coordinate geometry to three equivalent Sc(2) and three equivalent Au(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_ScSiAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.223
_cell_length_b   4.223
_cell_length_c   6.898
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   106.517
_cell_formula_units_Z   2
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
  Sc  Sc0  1  0.000  0.000  0.000  1.0
  Sc  Sc1  1  0.000  0.000  0.500  1.0
  Si  Si2  1  0.333  0.667  0.706  1.0
  Si  Si3  1  0.333  0.667  0.294  1.0
  Au  Au4  1  0.667  0.333  0.215  1.0
  Au  Au5  1  0.667  0.333  0.785  1.0
[/CIF]
.
The material described by ScAuSi crystallizes in the hexagonal P-6m2 space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 6-coordinate geometry to six equivalent Au(1) atoms. In the second Sc site, Sc(2) is bonded in a 12-coordinate geometry to six equivalent Au(1) and six equivalent Si(1) atoms. Au(1) is bonded in a 6-coordinate geometry to three equivalent Sc(1), three equivalent Sc(2), and three equivalent Si(1) atoms. Si(1) is bonded in a 6-coordinate geometry to three equivalent Sc(2) and three equivalent Au(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_ScSiAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.223
_cell_length_b   4.223
_cell_length_c   6.898
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   106.517
_cell_formula_units_Z   2
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
  Sc  Sc0  1  0.000  0.000  0.000  1.0
  Sc  Sc1  1  0.000  0.000  0.500  1.0
  Si  Si2  1  0.333  0.667  0.706  1.0
  Si  Si3  1  0.333  0.667  0.294  1.0
  Au  Au4  1  0.667  0.333  0.215  1.0
  Au  Au5  1  0.667  0.333  0.785  1.0
[/CIF]
.