The crystal structure described by LiMg2 crystallizes in the monoclinic Cm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent Li(1), two equivalent Li(2), one Mg(3), two equivalent Mg(1), two equivalent Mg(4), and three equivalent Mg(2) atoms to form distorted LiLi4Mg8 cuboctahedra that share corners with six equivalent Li(1)Li4Mg8 cuboctahedra, corners with six equivalent Li(2)Li4Mg8 cuboctahedra, corners with six equivalent Mg(4)Li4Mg8 cuboctahedra, edges with two equivalent Mg(2)Li5Mg7 cuboctahedra, edges with three equivalent Li(2)Li4Mg8 cuboctahedra, edges with three equivalent Mg(4)Li4Mg8 cuboctahedra, edges with four equivalent Mg(3)Li4Mg8 cuboctahedra, edges with six equivalent Mg(1)Li3Mg9 cuboctahedra, faces with two equivalent Li(1)Li4Mg8 cuboctahedra, faces with three equivalent Li(2)Li4Mg8 cuboctahedra, faces with three equivalent Mg(1)Li3Mg9 cuboctahedra, faces with three equivalent Mg(4)Li4Mg8 cuboctahedra, faces with four equivalent Mg(3)Li4Mg8 cuboctahedra, and faces with five equivalent Mg(2)Li5Mg7 cuboctahedra. In the second Li site, Li(2) is bonded to two equivalent Li(1), two equivalent Li(2), one Mg(1), two equivalent Mg(2), two equivalent Mg(4), and three equivalent Mg(3) atoms to form distorted LiLi4Mg8 cuboctahedra that share corners with six equivalent Li(1)Li4Mg8 cuboctahedra, corners with six equivalent Li(2)Li4Mg8 cuboctahedra, corners with six equivalent Mg(4)Li4Mg8 cuboctahedra, edges with two equivalent Mg(3)Li4Mg8 cuboctahedra, edges with three equivalent Li(1)Li4Mg8 cuboctahedra, edges with three equivalent Mg(4)Li4Mg8 cuboctahedra, edges with four equivalent Mg(1)Li3Mg9 cuboctahedra, edges with six equivalent Mg(2)Li5Mg7 cuboctahedra, faces with two equivalent Li(2)Li4Mg8 cuboctahedra, faces with three equivalent Li(1)Li4Mg8 cuboctahedra, faces with three equivalent Mg(4)Li4Mg8 cuboctahedra, faces with three equivalent Mg(2)Li5Mg7 cuboctahedra, faces with four equivalent Mg(1)Li3Mg9 cuboctahedra, and faces with five equivalent Mg(3)Li4Mg8 cuboctahedra. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one Li(2), two equivalent Li(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), and three equivalent Mg(4) atoms to form distorted MgLi3Mg9 cuboctahedra that share corners with six equivalent Mg(1)Li3Mg9 cuboctahedra, corners with six equivalent Mg(3)Li4Mg8 cuboctahedra, corners with six equivalent Mg(2)Li5Mg7 cuboctahedra, edges with two equivalent Mg(4)Li4Mg8 cuboctahedra, edges with three equivalent Mg(3)Li4Mg8 cuboctahedra, edges with three equivalent Mg(2)Li5Mg7 cuboctahedra, edges with four equivalent Li(2)Li4Mg8 cuboctahedra, edges with six equivalent Li(1)Li4Mg8 cuboctahedra, faces with two equivalent Mg(1)Li3Mg9 cuboctahedra, faces with three equivalent Li(1)Li4Mg8 cuboctahedra, faces with three equivalent Mg(3)Li4Mg8 cuboctahedra, faces with three equivalent Mg(2)Li5Mg7 cuboctahedra, faces with four equivalent Li(2)Li4Mg8 cuboctahedra, and faces with five equivalent Mg(4)Li4Mg8 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Li(2), three equivalent Li(1), one Mg(4), two equivalent Mg(1), two equivalent Mg(2), and two equivalent Mg(3) atoms to form distorted MgLi5Mg7 cuboctahedra that share corners with six equivalent Mg(1)Li3Mg9 cuboctahedra, corners with six equivalent Mg(3)Li4Mg8 cuboctahedra, corners with six equivalent Mg(2)Li5Mg7 cuboctahedra, edges with two equivalent Li(1)Li4Mg8 cuboctahedra, edges with three equivalent Mg(1)Li3Mg9 cuboctahedra, edges with three equivalent Mg(3)Li4Mg8 cuboctahedra, edges with four equivalent Mg(4)Li4Mg8 cuboctahedra, edges with six equivalent Li(2)Li4Mg8 cuboctahedra, faces with two equivalent Mg(2)Li5Mg7 cuboctahedra, faces with three equivalent Li(2)Li4Mg8 cuboctahedra, faces with three equivalent Mg(1)Li3Mg9 cuboctahedra, faces with three equivalent Mg(3)Li4Mg8 cuboctahedra, faces with four equivalent Mg(4)Li4Mg8 cuboctahedra, and faces with five equivalent Li(1)Li4Mg8 cuboctahedra. In the third Mg site, Mg(3) is bonded to one Li(1), three equivalent Li(2), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), and two equivalent Mg(4) atoms to form distorted MgLi4Mg8 cuboctahedra that share corners with six equivalent Mg(1)Li3Mg9 cuboctahedra, corners with six equivalent Mg(3)Li4Mg8 cuboctahedra, corners with six equivalent Mg(2)Li5Mg7 cuboctahedra, edges with two equivalent Li(2)Li4Mg8 cuboctahedra, edges with three equivalent Mg(1)Li3Mg9 cuboctahedra, edges with three equivalent Mg(2)Li5Mg7 cuboctahedra, edges with four equivalent Li(1)Li4Mg8 cuboctahedra, edges with six equivalent Mg(4)Li4Mg8 cuboctahedra, faces with two equivalent Mg(3)Li4Mg8 cuboctahedra, faces with three equivalent Mg(1)Li3Mg9 cuboctahedra, faces with three equivalent Mg(4)Li4Mg8 cuboctahedra, faces with three equivalent Mg(2)Li5Mg7 cuboctahedra, faces with four equivalent Li(1)Li4Mg8 cuboctahedra, and faces with five equivalent Li(2)Li4Mg8 cuboctahedra. In the fourth Mg site, Mg(4) is bonded to two equivalent Li(1), two equivalent Li(2), one Mg(2), two equivalent Mg(3), two equivalent Mg(4), and three equivalent Mg(1) atoms to form distorted MgLi4Mg8 cuboctahedra that share corners with six equivalent Li(1)Li4Mg8 cuboctahedra, corners with six equivalent Li(2)Li4Mg8 cuboctahedra, corners with six equivalent Mg(4)Li4Mg8 cuboctahedra, edges with two equivalent Mg(1)Li3Mg9 cuboctahedra, edges with three equivalent Li(1)Li4Mg8 cuboctahedra, edges with three equivalent Li(2)Li4Mg8 cuboctahedra, edges with four equivalent Mg(2)Li5Mg7 cuboctahedra, edges with six equivalent Mg(3)Li4Mg8 cuboctahedra, faces with two equivalent Mg(4)Li4Mg8 cuboctahedra, faces with three equivalent Li(1)Li4Mg8 cuboctahedra, faces with three equivalent Li(2)Li4Mg8 cuboctahedra, faces with three equivalent Mg(3)Li4Mg8 cuboctahedra, faces with four equivalent Mg(2)Li5Mg7 cuboctahedra, and faces with five equivalent Mg(1)Li3Mg9 cuboctahedra. is represented by the CIF file [CIF]
data_LiMg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.934
_cell_length_b   5.934
_cell_length_c   7.340
_cell_angle_alpha   74.992
_cell_angle_beta   74.992
_cell_angle_gamma   31.054
_symmetry_Int_Tables_number   1
_cell_volume   128.395
_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  0.613  0.613  0.274  1.0
  Li  Li1  1  0.947  0.947  0.607  1.0
  Mg  Mg2  1  0.999  0.999  0.007  1.0
  Mg  Mg3  1  0.330  0.330  0.340  1.0
  Mg  Mg4  1  0.663  0.663  0.668  1.0
  Mg  Mg5  1  0.281  0.281  0.938  1.0
[/CIF]
.
The crystal structure described by LiMg2 crystallizes in the monoclinic Cm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent Li(1), two equivalent Li(2), one Mg(3), two equivalent Mg(1), two equivalent Mg(4), and three equivalent Mg(2) atoms to form distorted LiLi4Mg8 cuboctahedra that share corners with six equivalent Li(1)Li4Mg8 cuboctahedra, corners with six equivalent Li(2)Li4Mg8 cuboctahedra, corners with six equivalent Mg(4)Li4Mg8 cuboctahedra, edges with two equivalent Mg(2)Li5Mg7 cuboctahedra, edges with three equivalent Li(2)Li4Mg8 cuboctahedra, edges with three equivalent Mg(4)Li4Mg8 cuboctahedra, edges with four equivalent Mg(3)Li4Mg8 cuboctahedra, edges with six equivalent Mg(1)Li3Mg9 cuboctahedra, faces with two equivalent Li(1)Li4Mg8 cuboctahedra, faces with three equivalent Li(2)Li4Mg8 cuboctahedra, faces with three equivalent Mg(1)Li3Mg9 cuboctahedra, faces with three equivalent Mg(4)Li4Mg8 cuboctahedra, faces with four equivalent Mg(3)Li4Mg8 cuboctahedra, and faces with five equivalent Mg(2)Li5Mg7 cuboctahedra. In the second Li site, Li(2) is bonded to two equivalent Li(1), two equivalent Li(2), one Mg(1), two equivalent Mg(2), two equivalent Mg(4), and three equivalent Mg(3) atoms to form distorted LiLi4Mg8 cuboctahedra that share corners with six equivalent Li(1)Li4Mg8 cuboctahedra, corners with six equivalent Li(2)Li4Mg8 cuboctahedra, corners with six equivalent Mg(4)Li4Mg8 cuboctahedra, edges with two equivalent Mg(3)Li4Mg8 cuboctahedra, edges with three equivalent Li(1)Li4Mg8 cuboctahedra, edges with three equivalent Mg(4)Li4Mg8 cuboctahedra, edges with four equivalent Mg(1)Li3Mg9 cuboctahedra, edges with six equivalent Mg(2)Li5Mg7 cuboctahedra, faces with two equivalent Li(2)Li4Mg8 cuboctahedra, faces with three equivalent Li(1)Li4Mg8 cuboctahedra, faces with three equivalent Mg(4)Li4Mg8 cuboctahedra, faces with three equivalent Mg(2)Li5Mg7 cuboctahedra, faces with four equivalent Mg(1)Li3Mg9 cuboctahedra, and faces with five equivalent Mg(3)Li4Mg8 cuboctahedra. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one Li(2), two equivalent Li(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), and three equivalent Mg(4) atoms to form distorted MgLi3Mg9 cuboctahedra that share corners with six equivalent Mg(1)Li3Mg9 cuboctahedra, corners with six equivalent Mg(3)Li4Mg8 cuboctahedra, corners with six equivalent Mg(2)Li5Mg7 cuboctahedra, edges with two equivalent Mg(4)Li4Mg8 cuboctahedra, edges with three equivalent Mg(3)Li4Mg8 cuboctahedra, edges with three equivalent Mg(2)Li5Mg7 cuboctahedra, edges with four equivalent Li(2)Li4Mg8 cuboctahedra, edges with six equivalent Li(1)Li4Mg8 cuboctahedra, faces with two equivalent Mg(1)Li3Mg9 cuboctahedra, faces with three equivalent Li(1)Li4Mg8 cuboctahedra, faces with three equivalent Mg(3)Li4Mg8 cuboctahedra, faces with three equivalent Mg(2)Li5Mg7 cuboctahedra, faces with four equivalent Li(2)Li4Mg8 cuboctahedra, and faces with five equivalent Mg(4)Li4Mg8 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Li(2), three equivalent Li(1), one Mg(4), two equivalent Mg(1), two equivalent Mg(2), and two equivalent Mg(3) atoms to form distorted MgLi5Mg7 cuboctahedra that share corners with six equivalent Mg(1)Li3Mg9 cuboctahedra, corners with six equivalent Mg(3)Li4Mg8 cuboctahedra, corners with six equivalent Mg(2)Li5Mg7 cuboctahedra, edges with two equivalent Li(1)Li4Mg8 cuboctahedra, edges with three equivalent Mg(1)Li3Mg9 cuboctahedra, edges with three equivalent Mg(3)Li4Mg8 cuboctahedra, edges with four equivalent Mg(4)Li4Mg8 cuboctahedra, edges with six equivalent Li(2)Li4Mg8 cuboctahedra, faces with two equivalent Mg(2)Li5Mg7 cuboctahedra, faces with three equivalent Li(2)Li4Mg8 cuboctahedra, faces with three equivalent Mg(1)Li3Mg9 cuboctahedra, faces with three equivalent Mg(3)Li4Mg8 cuboctahedra, faces with four equivalent Mg(4)Li4Mg8 cuboctahedra, and faces with five equivalent Li(1)Li4Mg8 cuboctahedra. In the third Mg site, Mg(3) is bonded to one Li(1), three equivalent Li(2), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), and two equivalent Mg(4) atoms to form distorted MgLi4Mg8 cuboctahedra that share corners with six equivalent Mg(1)Li3Mg9 cuboctahedra, corners with six equivalent Mg(3)Li4Mg8 cuboctahedra, corners with six equivalent Mg(2)Li5Mg7 cuboctahedra, edges with two equivalent Li(2)Li4Mg8 cuboctahedra, edges with three equivalent Mg(1)Li3Mg9 cuboctahedra, edges with three equivalent Mg(2)Li5Mg7 cuboctahedra, edges with four equivalent Li(1)Li4Mg8 cuboctahedra, edges with six equivalent Mg(4)Li4Mg8 cuboctahedra, faces with two equivalent Mg(3)Li4Mg8 cuboctahedra, faces with three equivalent Mg(1)Li3Mg9 cuboctahedra, faces with three equivalent Mg(4)Li4Mg8 cuboctahedra, faces with three equivalent Mg(2)Li5Mg7 cuboctahedra, faces with four equivalent Li(1)Li4Mg8 cuboctahedra, and faces with five equivalent Li(2)Li4Mg8 cuboctahedra. In the fourth Mg site, Mg(4) is bonded to two equivalent Li(1), two equivalent Li(2), one Mg(2), two equivalent Mg(3), two equivalent Mg(4), and three equivalent Mg(1) atoms to form distorted MgLi4Mg8 cuboctahedra that share corners with six equivalent Li(1)Li4Mg8 cuboctahedra, corners with six equivalent Li(2)Li4Mg8 cuboctahedra, corners with six equivalent Mg(4)Li4Mg8 cuboctahedra, edges with two equivalent Mg(1)Li3Mg9 cuboctahedra, edges with three equivalent Li(1)Li4Mg8 cuboctahedra, edges with three equivalent Li(2)Li4Mg8 cuboctahedra, edges with four equivalent Mg(2)Li5Mg7 cuboctahedra, edges with six equivalent Mg(3)Li4Mg8 cuboctahedra, faces with two equivalent Mg(4)Li4Mg8 cuboctahedra, faces with three equivalent Li(1)Li4Mg8 cuboctahedra, faces with three equivalent Li(2)Li4Mg8 cuboctahedra, faces with three equivalent Mg(3)Li4Mg8 cuboctahedra, faces with four equivalent Mg(2)Li5Mg7 cuboctahedra, and faces with five equivalent Mg(1)Li3Mg9 cuboctahedra. is represented by the CIF file [CIF]
data_LiMg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.934
_cell_length_b   5.934
_cell_length_c   7.340
_cell_angle_alpha   74.992
_cell_angle_beta   74.992
_cell_angle_gamma   31.054
_symmetry_Int_Tables_number   1
_cell_volume   128.395
_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  0.613  0.613  0.274  1.0
  Li  Li1  1  0.947  0.947  0.607  1.0
  Mg  Mg2  1  0.999  0.999  0.007  1.0
  Mg  Mg3  1  0.330  0.330  0.340  1.0
  Mg  Mg4  1  0.663  0.663  0.668  1.0
  Mg  Mg5  1  0.281  0.281  0.938  1.0
[/CIF]
.