The crystal structure described by LiMg2 crystallizes in the monoclinic C2/m space group. Li(1) is bonded to three equivalent Li(1), four equivalent Mg(2), and five equivalent Mg(1) atoms to form distorted LiLi3Mg9 cuboctahedra that share corners with six equivalent Li(1)Li3Mg9 cuboctahedra, corners with six equivalent Mg(2)Li4Mg8 cuboctahedra, corners with six equivalent Mg(1)Li5Mg7 cuboctahedra, edges with four equivalent Li(1)Li3Mg9 cuboctahedra, edges with five equivalent Mg(1)Li5Mg7 cuboctahedra, edges with nine equivalent Mg(2)Li4Mg8 cuboctahedra, faces with six equivalent Li(1)Li3Mg9 cuboctahedra, faces with six equivalent Mg(2)Li4Mg8 cuboctahedra, and faces with eight equivalent Mg(1)Li5Mg7 cuboctahedra. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to five equivalent Li(1), three equivalent Mg(2), and four equivalent Mg(1) atoms to form distorted MgLi5Mg7 cuboctahedra that share corners with six equivalent Li(1)Li3Mg9 cuboctahedra, corners with six equivalent Mg(2)Li4Mg8 cuboctahedra, corners with six equivalent Mg(1)Li5Mg7 cuboctahedra, edges with five equivalent Li(1)Li3Mg9 cuboctahedra, edges with six equivalent Mg(1)Li5Mg7 cuboctahedra, edges with seven equivalent Mg(2)Li4Mg8 cuboctahedra, faces with five equivalent Mg(1)Li5Mg7 cuboctahedra, faces with seven equivalent Mg(2)Li4Mg8 cuboctahedra, and faces with eight equivalent Li(1)Li3Mg9 cuboctahedra. In the second Mg site, Mg(2) is bonded to four equivalent Li(1), three equivalent Mg(1), and five equivalent Mg(2) atoms to form distorted MgLi4Mg8 cuboctahedra that share corners with six equivalent Li(1)Li3Mg9 cuboctahedra, corners with six equivalent Mg(2)Li4Mg8 cuboctahedra, corners with six equivalent Mg(1)Li5Mg7 cuboctahedra, edges with two equivalent Mg(2)Li4Mg8 cuboctahedra, edges with seven equivalent Mg(1)Li5Mg7 cuboctahedra, edges with nine equivalent Li(1)Li3Mg9 cuboctahedra, faces with six equivalent Li(1)Li3Mg9 cuboctahedra, faces with seven equivalent Mg(2)Li4Mg8 cuboctahedra, and faces with seven equivalent Mg(1)Li5Mg7 cuboctahedra. is represented by the CIF card [CIF]
data_LiMg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.886
_cell_length_b   5.886
_cell_length_c   7.377
_cell_angle_alpha   75.299
_cell_angle_beta   75.299
_cell_angle_gamma   31.579
_symmetry_Int_Tables_number   1
_cell_volume   129.090
_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  0.528  0.528  0.195  1.0
  Li  Li1  1  0.472  0.472  0.805  1.0
  Mg  Mg2  1  0.808  0.808  0.136  1.0
  Mg  Mg3  1  0.139  0.139  0.471  1.0
  Mg  Mg4  1  0.861  0.861  0.529  1.0
  Mg  Mg5  1  0.192  0.192  0.864  1.0
[/CIF]
.
The crystal structure described by LiMg2 crystallizes in the monoclinic C2/m space group. Li(1) is bonded to three equivalent Li(1), four equivalent Mg(2), and five equivalent Mg(1) atoms to form distorted LiLi3Mg9 cuboctahedra that share corners with six equivalent Li(1)Li3Mg9 cuboctahedra, corners with six equivalent Mg(2)Li4Mg8 cuboctahedra, corners with six equivalent Mg(1)Li5Mg7 cuboctahedra, edges with four equivalent Li(1)Li3Mg9 cuboctahedra, edges with five equivalent Mg(1)Li5Mg7 cuboctahedra, edges with nine equivalent Mg(2)Li4Mg8 cuboctahedra, faces with six equivalent Li(1)Li3Mg9 cuboctahedra, faces with six equivalent Mg(2)Li4Mg8 cuboctahedra, and faces with eight equivalent Mg(1)Li5Mg7 cuboctahedra. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to five equivalent Li(1), three equivalent Mg(2), and four equivalent Mg(1) atoms to form distorted MgLi5Mg7 cuboctahedra that share corners with six equivalent Li(1)Li3Mg9 cuboctahedra, corners with six equivalent Mg(2)Li4Mg8 cuboctahedra, corners with six equivalent Mg(1)Li5Mg7 cuboctahedra, edges with five equivalent Li(1)Li3Mg9 cuboctahedra, edges with six equivalent Mg(1)Li5Mg7 cuboctahedra, edges with seven equivalent Mg(2)Li4Mg8 cuboctahedra, faces with five equivalent Mg(1)Li5Mg7 cuboctahedra, faces with seven equivalent Mg(2)Li4Mg8 cuboctahedra, and faces with eight equivalent Li(1)Li3Mg9 cuboctahedra. In the second Mg site, Mg(2) is bonded to four equivalent Li(1), three equivalent Mg(1), and five equivalent Mg(2) atoms to form distorted MgLi4Mg8 cuboctahedra that share corners with six equivalent Li(1)Li3Mg9 cuboctahedra, corners with six equivalent Mg(2)Li4Mg8 cuboctahedra, corners with six equivalent Mg(1)Li5Mg7 cuboctahedra, edges with two equivalent Mg(2)Li4Mg8 cuboctahedra, edges with seven equivalent Mg(1)Li5Mg7 cuboctahedra, edges with nine equivalent Li(1)Li3Mg9 cuboctahedra, faces with six equivalent Li(1)Li3Mg9 cuboctahedra, faces with seven equivalent Mg(2)Li4Mg8 cuboctahedra, and faces with seven equivalent Mg(1)Li5Mg7 cuboctahedra. is represented by the CIF card [CIF]
data_LiMg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.886
_cell_length_b   5.886
_cell_length_c   7.377
_cell_angle_alpha   75.299
_cell_angle_beta   75.299
_cell_angle_gamma   31.579
_symmetry_Int_Tables_number   1
_cell_volume   129.090
_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  0.528  0.528  0.195  1.0
  Li  Li1  1  0.472  0.472  0.805  1.0
  Mg  Mg2  1  0.808  0.808  0.136  1.0
  Mg  Mg3  1  0.139  0.139  0.471  1.0
  Mg  Mg4  1  0.861  0.861  0.529  1.0
  Mg  Mg5  1  0.192  0.192  0.864  1.0
[/CIF]
.