The material structure described by MgLi2 crystallizes in the monoclinic C2/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted body-centered cubic geometry to four equivalent Li(2) and four equivalent Mg(1) atoms. In the second Li site, Li(2) is bonded in a distorted body-centered cubic geometry to two equivalent Li(2), four equivalent Li(1), and two equivalent Mg(1) atoms. Mg(1) is bonded in a 6-coordinate geometry to two equivalent Li(2) and four equivalent Li(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.310
_cell_length_b   5.744
_cell_length_c   7.017
_cell_angle_alpha   72.474
_cell_angle_beta   90.000
_cell_angle_gamma   106.745
_symmetry_Int_Tables_number   1
_cell_volume   121.264
_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  0.029  0.059  0.959  1.0
  Li  Li1  1  0.699  0.397  0.110  1.0
  Li  Li2  1  0.357  0.714  0.279  1.0
  Li  Li3  1  0.026  0.052  0.430  1.0
  Mg  Mg4  1  0.686  0.373  0.611  1.0
  Mg  Mg5  1  0.369  0.738  0.778  1.0
[/CIF]
.
The material structure described by MgLi2 crystallizes in the monoclinic C2/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted body-centered cubic geometry to four equivalent Li(2) and four equivalent Mg(1) atoms. In the second Li site, Li(2) is bonded in a distorted body-centered cubic geometry to two equivalent Li(2), four equivalent Li(1), and two equivalent Mg(1) atoms. Mg(1) is bonded in a 6-coordinate geometry to two equivalent Li(2) and four equivalent Li(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.310
_cell_length_b   5.744
_cell_length_c   7.017
_cell_angle_alpha   72.474
_cell_angle_beta   90.000
_cell_angle_gamma   106.745
_symmetry_Int_Tables_number   1
_cell_volume   121.264
_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  0.029  0.059  0.959  1.0
  Li  Li1  1  0.699  0.397  0.110  1.0
  Li  Li2  1  0.357  0.714  0.279  1.0
  Li  Li3  1  0.026  0.052  0.430  1.0
  Mg  Mg4  1  0.686  0.373  0.611  1.0
  Mg  Mg5  1  0.369  0.738  0.778  1.0
[/CIF]
.