The compound described by Li3Ac crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to four equivalent Ac(1) atoms. In the second Li site, Li(2) is bonded in a square co-planar geometry to four equivalent Ac(1) atoms. Ac(1) is bonded to four equivalent Li(2) and eight equivalent Li(1) atoms to form a mixture of face, corner, and edge-sharing AcLi12 cuboctahedra. is represented by the CIF card [CIF]
data_Li3Ac
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.973
_cell_length_b   5.973
_cell_length_c   5.973
_cell_angle_alpha   132.818
_cell_angle_beta   132.818
_cell_angle_gamma   68.940
_symmetry_Int_Tables_number   1
_cell_volume   112.540
_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
  Li  Li0  1  0.750  0.250  0.500  1.0
  Li  Li1  1  0.250  0.750  0.500  1.0
  Li  Li2  1  0.500  0.500  0.000  1.0
  Ac  Ac3  1  0.000  0.000  0.000  1.0
[/CIF]
.
The compound described by Li3Ac crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to four equivalent Ac(1) atoms. In the second Li site, Li(2) is bonded in a square co-planar geometry to four equivalent Ac(1) atoms. Ac(1) is bonded to four equivalent Li(2) and eight equivalent Li(1) atoms to form a mixture of face, corner, and edge-sharing AcLi12 cuboctahedra. is represented by the CIF card [CIF]
data_Li3Ac
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.973
_cell_length_b   5.973
_cell_length_c   5.973
_cell_angle_alpha   132.818
_cell_angle_beta   132.818
_cell_angle_gamma   68.940
_symmetry_Int_Tables_number   1
_cell_volume   112.540
_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
  Li  Li0  1  0.750  0.250  0.500  1.0
  Li  Li1  1  0.250  0.750  0.500  1.0
  Li  Li2  1  0.500  0.500  0.000  1.0
  Ac  Ac3  1  0.000  0.000  0.000  1.0
[/CIF]
.