The material structure described by Au3Sc is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. Sc(1) is bonded in a distorted body-centered cubic geometry to six equivalent Au(2) and eight equivalent Au(1) atoms. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded to four equivalent Sc(1) and four equivalent Au(2) atoms to form a mixture of distorted edge, corner, and face-sharing AuSc4Au4 tetrahedra. In the second Au site, Au(2) is bonded in a 14-coordinate geometry to six equivalent Sc(1) and eight equivalent Au(1) atoms. is represented by the CIF file [CIF]
data_ScAu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.687
_cell_length_b   4.687
_cell_length_c   4.687
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   72.825
_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
  Sc  Sc0  1  0.000  0.000  0.000  1.0
  Au  Au1  1  0.250  0.250  0.250  1.0
  Au  Au2  1  0.750  0.750  0.750  1.0
  Au  Au3  1  0.500  0.500  0.500  1.0
[/CIF]
.
The material structure described by Au3Sc is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. Sc(1) is bonded in a distorted body-centered cubic geometry to six equivalent Au(2) and eight equivalent Au(1) atoms. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded to four equivalent Sc(1) and four equivalent Au(2) atoms to form a mixture of distorted edge, corner, and face-sharing AuSc4Au4 tetrahedra. In the second Au site, Au(2) is bonded in a 14-coordinate geometry to six equivalent Sc(1) and eight equivalent Au(1) atoms. is represented by the CIF file [CIF]
data_ScAu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.687
_cell_length_b   4.687
_cell_length_c   4.687
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   72.825
_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
  Sc  Sc0  1  0.000  0.000  0.000  1.0
  Au  Au1  1  0.250  0.250  0.250  1.0
  Au  Au2  1  0.750  0.750  0.750  1.0
  Au  Au3  1  0.500  0.500  0.500  1.0
[/CIF]
.