data_ScAl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   3.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScAl3
_chemical_formula_sum   'Sc1 Al3'
_cell_volume   72.7
_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  Sc3  1  0.87  0.0  0.0  1.0
  Al  Al0  1  0.43  0.94  0.54  1.0
  Al  Al1  1  0.43  0.06  0.54  1.0
  Al  Al2  1  0.0  0.0  0.0  1.0

data_ScAl3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   5.02
_cell_length_c   5.02
_cell_angle_alpha   110.33
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScAl3
_chemical_formula_sum   'Sc1 Al3'
_cell_volume   72.7
_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  0.0  0.87  0.0  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  Al  Al2  1  0.54  0.43  0.06  1.0
  Al  Al3  1  0.54  0.43  0.94  1.0

Sc Al Al Al
Sc Al Al Al 0 3 + o o 1 2 o + o 
Al3Sc crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one dialuminium molecule and one AlSc cluster. In the AlSc cluster, Sc(1) is bonded in a single-bond geometry to one Al(3) atom. The Sc(1)-Al(3) bond length is 0.67 Å. Al(3) is bonded in a single-bond geometry to one Sc(1) atom.