The structure described by LiMg2 crystallizes in the orthorhombic Amm2 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), two equivalent Mg(1), two equivalent Mg(4), and four 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 three equivalent Li(2)Li4Mg8 cuboctahedra, edges with three equivalent Mg(4)Li4Mg8 cuboctahedra, edges with four equivalent Mg(3)Li6Mg6 cuboctahedra, edges with eight equivalent Mg(2)Li4Mg8 cuboctahedra, faces with two equivalent Li(2)Li4Mg8 cuboctahedra, faces with two equivalent Mg(2)Li4Mg8 cuboctahedra, faces with two equivalent Mg(4)Li4Mg8 cuboctahedra, faces with four equivalent Li(1)Li4Mg8 cuboctahedra, faces with four equivalent Mg(3)Li6Mg6 cuboctahedra, and faces with six equivalent Mg(1)Li2Mg10 cuboctahedra. In the second Li site, Li(2) is bonded to two equivalent Li(1), two equivalent Li(2), two equivalent Mg(3), two equivalent Mg(4), and four 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 three equivalent Li(1)Li4Mg8 cuboctahedra, edges with three equivalent Mg(4)Li4Mg8 cuboctahedra, edges with four equivalent Mg(2)Li4Mg8 cuboctahedra, edges with eight equivalent Mg(1)Li2Mg10 cuboctahedra, faces with two equivalent Li(1)Li4Mg8 cuboctahedra, faces with two equivalent Mg(1)Li2Mg10 cuboctahedra, faces with two equivalent Mg(4)Li4Mg8 cuboctahedra, faces with four equivalent Li(2)Li4Mg8 cuboctahedra, faces with four equivalent Mg(2)Li4Mg8 cuboctahedra, and faces with six equivalent Mg(3)Li6Mg6 cuboctahedra. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Li(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), and four equivalent Mg(4) atoms to form distorted MgLi2Mg10 cuboctahedra that share corners with six equivalent Mg(1)Li2Mg10 cuboctahedra, corners with six equivalent Mg(2)Li4Mg8 cuboctahedra, corners with six equivalent Mg(3)Li6Mg6 cuboctahedra, edges with three equivalent Mg(2)Li4Mg8 cuboctahedra, edges with three equivalent Mg(3)Li6Mg6 cuboctahedra, edges with four equivalent Mg(4)Li4Mg8 cuboctahedra, edges with eight equivalent Li(2)Li4Mg8 cuboctahedra, faces with two equivalent Li(2)Li4Mg8 cuboctahedra, faces with two equivalent Mg(2)Li4Mg8 cuboctahedra, faces with two equivalent Mg(3)Li6Mg6 cuboctahedra, faces with four equivalent Mg(1)Li2Mg10 cuboctahedra, faces with four equivalent Mg(4)Li4Mg8 cuboctahedra, and faces with six equivalent Li(1)Li4Mg8 cuboctahedra. In the second Mg site, Mg(2) is bonded to four 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)Li2Mg10 cuboctahedra, corners with six equivalent Mg(2)Li4Mg8 cuboctahedra, corners with six equivalent Mg(3)Li6Mg6 cuboctahedra, edges with three equivalent Mg(1)Li2Mg10 cuboctahedra, edges with three equivalent Mg(3)Li6Mg6 cuboctahedra, edges with four equivalent Li(2)Li4Mg8 cuboctahedra, edges with eight equivalent Li(1)Li4Mg8 cuboctahedra, faces with two equivalent Li(1)Li4Mg8 cuboctahedra, faces with two equivalent Mg(1)Li2Mg10 cuboctahedra, faces with two equivalent Mg(3)Li6Mg6 cuboctahedra, faces with four equivalent Li(2)Li4Mg8 cuboctahedra, faces with four equivalent Mg(2)Li4Mg8 cuboctahedra, and faces with six equivalent Mg(4)Li4Mg8 cuboctahedra. In the third Mg site, Mg(3) is bonded to two equivalent Li(2), four equivalent Li(1), two equivalent Mg(1), two equivalent Mg(2), and two equivalent Mg(3) atoms to form distorted MgLi6Mg6 cuboctahedra that share corners with six equivalent Mg(1)Li2Mg10 cuboctahedra, corners with six equivalent Mg(2)Li4Mg8 cuboctahedra, corners with six equivalent Mg(3)Li6Mg6 cuboctahedra, edges with three equivalent Mg(1)Li2Mg10 cuboctahedra, edges with three equivalent Mg(2)Li4Mg8 cuboctahedra, edges with four equivalent Li(1)Li4Mg8 cuboctahedra, edges with eight equivalent Mg(4)Li4Mg8 cuboctahedra, faces with two equivalent Mg(1)Li2Mg10 cuboctahedra, faces with two equivalent Mg(2)Li4Mg8 cuboctahedra, faces with two equivalent Mg(4)Li4Mg8 cuboctahedra, faces with four equivalent Li(1)Li4Mg8 cuboctahedra, faces with four equivalent Mg(3)Li6Mg6 cuboctahedra, and faces with six equivalent Li(2)Li4Mg8 cuboctahedra. In the fourth Mg site, Mg(4) is bonded to two equivalent Li(1), two equivalent Li(2), two equivalent Mg(2), two equivalent Mg(4), and four equivalent Mg(1) atoms to form 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 three equivalent Li(1)Li4Mg8 cuboctahedra, edges with three equivalent Li(2)Li4Mg8 cuboctahedra, edges with four equivalent Mg(1)Li2Mg10 cuboctahedra, edges with eight equivalent Mg(3)Li6Mg6 cuboctahedra, faces with two equivalent Li(1)Li4Mg8 cuboctahedra, faces with two equivalent Li(2)Li4Mg8 cuboctahedra, faces with two equivalent Mg(3)Li6Mg6 cuboctahedra, faces with four equivalent Mg(1)Li2Mg10 cuboctahedra, faces with four equivalent Mg(4)Li4Mg8 cuboctahedra, and faces with six equivalent Mg(2)Li4Mg8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.324
_cell_length_b   8.324
_cell_length_c   5.009
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   158.194
_symmetry_Int_Tables_number   1
_cell_volume   128.912
_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  0.111  0.889  0.500  1.0
  Li  Li1  1  0.778  0.222  0.500  1.0
  Mg  Mg2  1  0.002  0.998  0.000  1.0
  Mg  Mg3  1  0.331  0.669  0.000  1.0
  Mg  Mg4  1  0.667  0.333  0.000  1.0
  Mg  Mg5  1  0.444  0.556  0.500  1.0
[/CIF]
.
The structure described by LiMg2 crystallizes in the orthorhombic Amm2 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), two equivalent Mg(1), two equivalent Mg(4), and four 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 three equivalent Li(2)Li4Mg8 cuboctahedra, edges with three equivalent Mg(4)Li4Mg8 cuboctahedra, edges with four equivalent Mg(3)Li6Mg6 cuboctahedra, edges with eight equivalent Mg(2)Li4Mg8 cuboctahedra, faces with two equivalent Li(2)Li4Mg8 cuboctahedra, faces with two equivalent Mg(2)Li4Mg8 cuboctahedra, faces with two equivalent Mg(4)Li4Mg8 cuboctahedra, faces with four equivalent Li(1)Li4Mg8 cuboctahedra, faces with four equivalent Mg(3)Li6Mg6 cuboctahedra, and faces with six equivalent Mg(1)Li2Mg10 cuboctahedra. In the second Li site, Li(2) is bonded to two equivalent Li(1), two equivalent Li(2), two equivalent Mg(3), two equivalent Mg(4), and four 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 three equivalent Li(1)Li4Mg8 cuboctahedra, edges with three equivalent Mg(4)Li4Mg8 cuboctahedra, edges with four equivalent Mg(2)Li4Mg8 cuboctahedra, edges with eight equivalent Mg(1)Li2Mg10 cuboctahedra, faces with two equivalent Li(1)Li4Mg8 cuboctahedra, faces with two equivalent Mg(1)Li2Mg10 cuboctahedra, faces with two equivalent Mg(4)Li4Mg8 cuboctahedra, faces with four equivalent Li(2)Li4Mg8 cuboctahedra, faces with four equivalent Mg(2)Li4Mg8 cuboctahedra, and faces with six equivalent Mg(3)Li6Mg6 cuboctahedra. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Li(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), and four equivalent Mg(4) atoms to form distorted MgLi2Mg10 cuboctahedra that share corners with six equivalent Mg(1)Li2Mg10 cuboctahedra, corners with six equivalent Mg(2)Li4Mg8 cuboctahedra, corners with six equivalent Mg(3)Li6Mg6 cuboctahedra, edges with three equivalent Mg(2)Li4Mg8 cuboctahedra, edges with three equivalent Mg(3)Li6Mg6 cuboctahedra, edges with four equivalent Mg(4)Li4Mg8 cuboctahedra, edges with eight equivalent Li(2)Li4Mg8 cuboctahedra, faces with two equivalent Li(2)Li4Mg8 cuboctahedra, faces with two equivalent Mg(2)Li4Mg8 cuboctahedra, faces with two equivalent Mg(3)Li6Mg6 cuboctahedra, faces with four equivalent Mg(1)Li2Mg10 cuboctahedra, faces with four equivalent Mg(4)Li4Mg8 cuboctahedra, and faces with six equivalent Li(1)Li4Mg8 cuboctahedra. In the second Mg site, Mg(2) is bonded to four 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)Li2Mg10 cuboctahedra, corners with six equivalent Mg(2)Li4Mg8 cuboctahedra, corners with six equivalent Mg(3)Li6Mg6 cuboctahedra, edges with three equivalent Mg(1)Li2Mg10 cuboctahedra, edges with three equivalent Mg(3)Li6Mg6 cuboctahedra, edges with four equivalent Li(2)Li4Mg8 cuboctahedra, edges with eight equivalent Li(1)Li4Mg8 cuboctahedra, faces with two equivalent Li(1)Li4Mg8 cuboctahedra, faces with two equivalent Mg(1)Li2Mg10 cuboctahedra, faces with two equivalent Mg(3)Li6Mg6 cuboctahedra, faces with four equivalent Li(2)Li4Mg8 cuboctahedra, faces with four equivalent Mg(2)Li4Mg8 cuboctahedra, and faces with six equivalent Mg(4)Li4Mg8 cuboctahedra. In the third Mg site, Mg(3) is bonded to two equivalent Li(2), four equivalent Li(1), two equivalent Mg(1), two equivalent Mg(2), and two equivalent Mg(3) atoms to form distorted MgLi6Mg6 cuboctahedra that share corners with six equivalent Mg(1)Li2Mg10 cuboctahedra, corners with six equivalent Mg(2)Li4Mg8 cuboctahedra, corners with six equivalent Mg(3)Li6Mg6 cuboctahedra, edges with three equivalent Mg(1)Li2Mg10 cuboctahedra, edges with three equivalent Mg(2)Li4Mg8 cuboctahedra, edges with four equivalent Li(1)Li4Mg8 cuboctahedra, edges with eight equivalent Mg(4)Li4Mg8 cuboctahedra, faces with two equivalent Mg(1)Li2Mg10 cuboctahedra, faces with two equivalent Mg(2)Li4Mg8 cuboctahedra, faces with two equivalent Mg(4)Li4Mg8 cuboctahedra, faces with four equivalent Li(1)Li4Mg8 cuboctahedra, faces with four equivalent Mg(3)Li6Mg6 cuboctahedra, and faces with six equivalent Li(2)Li4Mg8 cuboctahedra. In the fourth Mg site, Mg(4) is bonded to two equivalent Li(1), two equivalent Li(2), two equivalent Mg(2), two equivalent Mg(4), and four equivalent Mg(1) atoms to form 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 three equivalent Li(1)Li4Mg8 cuboctahedra, edges with three equivalent Li(2)Li4Mg8 cuboctahedra, edges with four equivalent Mg(1)Li2Mg10 cuboctahedra, edges with eight equivalent Mg(3)Li6Mg6 cuboctahedra, faces with two equivalent Li(1)Li4Mg8 cuboctahedra, faces with two equivalent Li(2)Li4Mg8 cuboctahedra, faces with two equivalent Mg(3)Li6Mg6 cuboctahedra, faces with four equivalent Mg(1)Li2Mg10 cuboctahedra, faces with four equivalent Mg(4)Li4Mg8 cuboctahedra, and faces with six equivalent Mg(2)Li4Mg8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.324
_cell_length_b   8.324
_cell_length_c   5.009
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   158.194
_symmetry_Int_Tables_number   1
_cell_volume   128.912
_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  0.111  0.889  0.500  1.0
  Li  Li1  1  0.778  0.222  0.500  1.0
  Mg  Mg2  1  0.002  0.998  0.000  1.0
  Mg  Mg3  1  0.331  0.669  0.000  1.0
  Mg  Mg4  1  0.667  0.333  0.000  1.0
  Mg  Mg5  1  0.444  0.556  0.500  1.0
[/CIF]
.