The compound described by Li3Sc is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 12-coordinate geometry to eight Li(1,1) and four equivalent Sc(1) atoms. In the second Li site, Li(1) is bonded in a 12-coordinate geometry to eight Li(1,1) and four equivalent Sc(1) atoms. Sc(1) is bonded to twelve Li(1,1) atoms to form a mixture of face and corner-sharing ScLi12 cuboctahedra. is represented by the CIF card [CIF]
data_Li3Sc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.231
_cell_length_b   6.231
_cell_length_c   4.933
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   165.879
_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
  Li  Li0  1  0.161  0.322  0.250  1.0
  Li  Li1  1  0.678  0.839  0.250  1.0
  Li  Li2  1  0.161  0.839  0.250  1.0
  Li  Li3  1  0.839  0.678  0.750  1.0
  Li  Li4  1  0.322  0.161  0.750  1.0
  Li  Li5  1  0.839  0.161  0.750  1.0
  Sc  Sc6  1  0.333  0.667  0.750  1.0
  Sc  Sc7  1  0.667  0.333  0.250  1.0
[/CIF]
.
The compound described by Li3Sc is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 12-coordinate geometry to eight Li(1,1) and four equivalent Sc(1) atoms. In the second Li site, Li(1) is bonded in a 12-coordinate geometry to eight Li(1,1) and four equivalent Sc(1) atoms. Sc(1) is bonded to twelve Li(1,1) atoms to form a mixture of face and corner-sharing ScLi12 cuboctahedra. is represented by the CIF card [CIF]
data_Li3Sc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.231
_cell_length_b   6.231
_cell_length_c   4.933
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   165.879
_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
  Li  Li0  1  0.161  0.322  0.250  1.0
  Li  Li1  1  0.678  0.839  0.250  1.0
  Li  Li2  1  0.161  0.839  0.250  1.0
  Li  Li3  1  0.839  0.678  0.750  1.0
  Li  Li4  1  0.322  0.161  0.750  1.0
  Li  Li5  1  0.839  0.161  0.750  1.0
  Sc  Sc6  1  0.333  0.667  0.750  1.0
  Sc  Sc7  1  0.667  0.333  0.250  1.0
[/CIF]
.