The material structure described by Li5Mg crystallizes in the monoclinic Cm space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to one Li(4), two equivalent Li(1), two equivalent Li(3), two equivalent Li(5), three equivalent Li(2), and two equivalent Mg(1) atoms to form distorted LiLi10Mg2 cuboctahedra that share corners with six equivalent Li(1)Li10Mg2 cuboctahedra, corners with six equivalent Li(3)Li11Mg cuboctahedra, corners with six equivalent Li(5)Li9Mg3 cuboctahedra, edges with two equivalent Li(2)Li10Mg2 cuboctahedra, edges with three equivalent Li(3)Li11Mg cuboctahedra, edges with three equivalent Li(5)Li9Mg3 cuboctahedra, edges with four equivalent Li(4)Li10Mg2 cuboctahedra, edges with six equivalent Mg(1)Li10Mg2 cuboctahedra, faces with two equivalent Li(1)Li10Mg2 cuboctahedra, faces with three equivalent Li(3)Li11Mg cuboctahedra, faces with three equivalent Li(5)Li9Mg3 cuboctahedra, faces with three equivalent Mg(1)Li10Mg2 cuboctahedra, faces with four equivalent Li(4)Li10Mg2 cuboctahedra, and faces with five equivalent Li(2)Li10Mg2 cuboctahedra. In the second Li site, Li(2) is bonded to one Li(5), two equivalent Li(2), two equivalent Li(3), two equivalent Li(4), three equivalent Li(1), and two equivalent Mg(1) atoms to form distorted LiLi10Mg2 cuboctahedra that share corners with six equivalent Li(2)Li10Mg2 cuboctahedra, corners with six equivalent Li(4)Li10Mg2 cuboctahedra, corners with six equivalent Mg(1)Li10Mg2 cuboctahedra, edges with two equivalent Li(1)Li10Mg2 cuboctahedra, edges with three equivalent Li(4)Li10Mg2 cuboctahedra, edges with three equivalent Mg(1)Li10Mg2 cuboctahedra, edges with four equivalent Li(5)Li9Mg3 cuboctahedra, edges with six equivalent Li(3)Li11Mg cuboctahedra, faces with two equivalent Li(2)Li10Mg2 cuboctahedra, faces with three equivalent Li(4)Li10Mg2 cuboctahedra, faces with three equivalent Li(3)Li11Mg cuboctahedra, faces with three equivalent Mg(1)Li10Mg2 cuboctahedra, faces with four equivalent Li(5)Li9Mg3 cuboctahedra, and faces with five equivalent Li(1)Li10Mg2 cuboctahedra. In the third Li site, Li(3) is bonded to two equivalent Li(1), two equivalent Li(2), two equivalent Li(3), two equivalent Li(5), three equivalent Li(4), and one Mg(1) atom to form distorted LiLi11Mg cuboctahedra that share corners with six equivalent Li(1)Li10Mg2 cuboctahedra, corners with six equivalent Li(3)Li11Mg cuboctahedra, corners with six equivalent Li(5)Li9Mg3 cuboctahedra, edges with two equivalent Li(4)Li10Mg2 cuboctahedra, edges with three equivalent Li(1)Li10Mg2 cuboctahedra, edges with three equivalent Li(5)Li9Mg3 cuboctahedra, edges with four equivalent Mg(1)Li10Mg2 cuboctahedra, edges with six equivalent Li(2)Li10Mg2 cuboctahedra, faces with two equivalent Li(3)Li11Mg cuboctahedra, faces with three equivalent Li(1)Li10Mg2 cuboctahedra, faces with three equivalent Li(2)Li10Mg2 cuboctahedra, faces with three equivalent Li(5)Li9Mg3 cuboctahedra, faces with four equivalent Mg(1)Li10Mg2 cuboctahedra, and faces with five equivalent Li(4)Li10Mg2 cuboctahedra. In the fourth Li site, Li(4) is bonded to one Li(1), two equivalent Li(2), two equivalent Li(4), two equivalent Li(5), three equivalent Li(3), and two equivalent Mg(1) atoms to form distorted LiLi10Mg2 cuboctahedra that share corners with six equivalent Li(2)Li10Mg2 cuboctahedra, corners with six equivalent Li(4)Li10Mg2 cuboctahedra, corners with six equivalent Mg(1)Li10Mg2 cuboctahedra, edges with two equivalent Li(3)Li11Mg cuboctahedra, edges with three equivalent Li(2)Li10Mg2 cuboctahedra, edges with three equivalent Mg(1)Li10Mg2 cuboctahedra, edges with four equivalent Li(1)Li10Mg2 cuboctahedra, edges with six equivalent Li(5)Li9Mg3 cuboctahedra, faces with two equivalent Li(4)Li10Mg2 cuboctahedra, faces with three equivalent Li(2)Li10Mg2 cuboctahedra, faces with three equivalent Li(5)Li9Mg3 cuboctahedra, faces with three equivalent Mg(1)Li10Mg2 cuboctahedra, faces with four equivalent Li(1)Li10Mg2 cuboctahedra, and faces with five equivalent Li(3)Li11Mg cuboctahedra. In the fifth Li site, Li(5) is bonded to one Li(2), two equivalent Li(1), two equivalent Li(3), two equivalent Li(4), two equivalent Li(5), and three equivalent Mg(1) atoms to form LiLi9Mg3 cuboctahedra that share corners with six equivalent Li(1)Li10Mg2 cuboctahedra, corners with six equivalent Li(3)Li11Mg cuboctahedra, corners with six equivalent Li(5)Li9Mg3 cuboctahedra, edges with two equivalent Mg(1)Li10Mg2 cuboctahedra, edges with three equivalent Li(1)Li10Mg2 cuboctahedra, edges with three equivalent Li(3)Li11Mg cuboctahedra, edges with four equivalent Li(2)Li10Mg2 cuboctahedra, edges with six equivalent Li(4)Li10Mg2 cuboctahedra, faces with two equivalent Li(5)Li9Mg3 cuboctahedra, faces with three equivalent Li(1)Li10Mg2 cuboctahedra, faces with three equivalent Li(4)Li10Mg2 cuboctahedra, faces with three equivalent Li(3)Li11Mg cuboctahedra, faces with four equivalent Li(2)Li10Mg2 cuboctahedra, and faces with five equivalent Mg(1)Li10Mg2 cuboctahedra. Mg(1) is bonded to one Li(3), two equivalent Li(1), two equivalent Li(2), two equivalent Li(4), three equivalent Li(5), and two equivalent Mg(1) atoms to form MgLi10Mg2 cuboctahedra that share corners with six equivalent Li(2)Li10Mg2 cuboctahedra, corners with six equivalent Li(4)Li10Mg2 cuboctahedra, corners with six equivalent Mg(1)Li10Mg2 cuboctahedra, edges with two equivalent Li(5)Li9Mg3 cuboctahedra, edges with three equivalent Li(2)Li10Mg2 cuboctahedra, edges with three equivalent Li(4)Li10Mg2 cuboctahedra, edges with four equivalent Li(3)Li11Mg cuboctahedra, edges with six equivalent Li(1)Li10Mg2 cuboctahedra, faces with two equivalent Mg(1)Li10Mg2 cuboctahedra, faces with three equivalent Li(1)Li10Mg2 cuboctahedra, faces with three equivalent Li(2)Li10Mg2 cuboctahedra, faces with three equivalent Li(4)Li10Mg2 cuboctahedra, faces with four equivalent Li(3)Li11Mg cuboctahedra, and faces with five equivalent Li(5)Li9Mg3 cuboctahedra. is represented by the CIF card [CIF]
data_Li5Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.959
_cell_length_b   5.959
_cell_length_c   7.269
_cell_angle_alpha   74.562
_cell_angle_beta   74.562
_cell_angle_gamma   29.585
_symmetry_Int_Tables_number   1
_cell_volume   122.511
_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  1.000  1.000  0.003  1.0
  Li  Li1  1  0.278  0.278  0.944  1.0
  Li  Li2  1  0.666  0.666  0.668  1.0
  Li  Li3  1  0.945  0.945  0.612  1.0
  Li  Li4  1  0.333  0.333  0.332  1.0
  Mg  Mg5  1  0.612  0.612  0.274  1.0
[/CIF]
.
The material structure described by Li5Mg crystallizes in the monoclinic Cm space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to one Li(4), two equivalent Li(1), two equivalent Li(3), two equivalent Li(5), three equivalent Li(2), and two equivalent Mg(1) atoms to form distorted LiLi10Mg2 cuboctahedra that share corners with six equivalent Li(1)Li10Mg2 cuboctahedra, corners with six equivalent Li(3)Li11Mg cuboctahedra, corners with six equivalent Li(5)Li9Mg3 cuboctahedra, edges with two equivalent Li(2)Li10Mg2 cuboctahedra, edges with three equivalent Li(3)Li11Mg cuboctahedra, edges with three equivalent Li(5)Li9Mg3 cuboctahedra, edges with four equivalent Li(4)Li10Mg2 cuboctahedra, edges with six equivalent Mg(1)Li10Mg2 cuboctahedra, faces with two equivalent Li(1)Li10Mg2 cuboctahedra, faces with three equivalent Li(3)Li11Mg cuboctahedra, faces with three equivalent Li(5)Li9Mg3 cuboctahedra, faces with three equivalent Mg(1)Li10Mg2 cuboctahedra, faces with four equivalent Li(4)Li10Mg2 cuboctahedra, and faces with five equivalent Li(2)Li10Mg2 cuboctahedra. In the second Li site, Li(2) is bonded to one Li(5), two equivalent Li(2), two equivalent Li(3), two equivalent Li(4), three equivalent Li(1), and two equivalent Mg(1) atoms to form distorted LiLi10Mg2 cuboctahedra that share corners with six equivalent Li(2)Li10Mg2 cuboctahedra, corners with six equivalent Li(4)Li10Mg2 cuboctahedra, corners with six equivalent Mg(1)Li10Mg2 cuboctahedra, edges with two equivalent Li(1)Li10Mg2 cuboctahedra, edges with three equivalent Li(4)Li10Mg2 cuboctahedra, edges with three equivalent Mg(1)Li10Mg2 cuboctahedra, edges with four equivalent Li(5)Li9Mg3 cuboctahedra, edges with six equivalent Li(3)Li11Mg cuboctahedra, faces with two equivalent Li(2)Li10Mg2 cuboctahedra, faces with three equivalent Li(4)Li10Mg2 cuboctahedra, faces with three equivalent Li(3)Li11Mg cuboctahedra, faces with three equivalent Mg(1)Li10Mg2 cuboctahedra, faces with four equivalent Li(5)Li9Mg3 cuboctahedra, and faces with five equivalent Li(1)Li10Mg2 cuboctahedra. In the third Li site, Li(3) is bonded to two equivalent Li(1), two equivalent Li(2), two equivalent Li(3), two equivalent Li(5), three equivalent Li(4), and one Mg(1) atom to form distorted LiLi11Mg cuboctahedra that share corners with six equivalent Li(1)Li10Mg2 cuboctahedra, corners with six equivalent Li(3)Li11Mg cuboctahedra, corners with six equivalent Li(5)Li9Mg3 cuboctahedra, edges with two equivalent Li(4)Li10Mg2 cuboctahedra, edges with three equivalent Li(1)Li10Mg2 cuboctahedra, edges with three equivalent Li(5)Li9Mg3 cuboctahedra, edges with four equivalent Mg(1)Li10Mg2 cuboctahedra, edges with six equivalent Li(2)Li10Mg2 cuboctahedra, faces with two equivalent Li(3)Li11Mg cuboctahedra, faces with three equivalent Li(1)Li10Mg2 cuboctahedra, faces with three equivalent Li(2)Li10Mg2 cuboctahedra, faces with three equivalent Li(5)Li9Mg3 cuboctahedra, faces with four equivalent Mg(1)Li10Mg2 cuboctahedra, and faces with five equivalent Li(4)Li10Mg2 cuboctahedra. In the fourth Li site, Li(4) is bonded to one Li(1), two equivalent Li(2), two equivalent Li(4), two equivalent Li(5), three equivalent Li(3), and two equivalent Mg(1) atoms to form distorted LiLi10Mg2 cuboctahedra that share corners with six equivalent Li(2)Li10Mg2 cuboctahedra, corners with six equivalent Li(4)Li10Mg2 cuboctahedra, corners with six equivalent Mg(1)Li10Mg2 cuboctahedra, edges with two equivalent Li(3)Li11Mg cuboctahedra, edges with three equivalent Li(2)Li10Mg2 cuboctahedra, edges with three equivalent Mg(1)Li10Mg2 cuboctahedra, edges with four equivalent Li(1)Li10Mg2 cuboctahedra, edges with six equivalent Li(5)Li9Mg3 cuboctahedra, faces with two equivalent Li(4)Li10Mg2 cuboctahedra, faces with three equivalent Li(2)Li10Mg2 cuboctahedra, faces with three equivalent Li(5)Li9Mg3 cuboctahedra, faces with three equivalent Mg(1)Li10Mg2 cuboctahedra, faces with four equivalent Li(1)Li10Mg2 cuboctahedra, and faces with five equivalent Li(3)Li11Mg cuboctahedra. In the fifth Li site, Li(5) is bonded to one Li(2), two equivalent Li(1), two equivalent Li(3), two equivalent Li(4), two equivalent Li(5), and three equivalent Mg(1) atoms to form LiLi9Mg3 cuboctahedra that share corners with six equivalent Li(1)Li10Mg2 cuboctahedra, corners with six equivalent Li(3)Li11Mg cuboctahedra, corners with six equivalent Li(5)Li9Mg3 cuboctahedra, edges with two equivalent Mg(1)Li10Mg2 cuboctahedra, edges with three equivalent Li(1)Li10Mg2 cuboctahedra, edges with three equivalent Li(3)Li11Mg cuboctahedra, edges with four equivalent Li(2)Li10Mg2 cuboctahedra, edges with six equivalent Li(4)Li10Mg2 cuboctahedra, faces with two equivalent Li(5)Li9Mg3 cuboctahedra, faces with three equivalent Li(1)Li10Mg2 cuboctahedra, faces with three equivalent Li(4)Li10Mg2 cuboctahedra, faces with three equivalent Li(3)Li11Mg cuboctahedra, faces with four equivalent Li(2)Li10Mg2 cuboctahedra, and faces with five equivalent Mg(1)Li10Mg2 cuboctahedra. Mg(1) is bonded to one Li(3), two equivalent Li(1), two equivalent Li(2), two equivalent Li(4), three equivalent Li(5), and two equivalent Mg(1) atoms to form MgLi10Mg2 cuboctahedra that share corners with six equivalent Li(2)Li10Mg2 cuboctahedra, corners with six equivalent Li(4)Li10Mg2 cuboctahedra, corners with six equivalent Mg(1)Li10Mg2 cuboctahedra, edges with two equivalent Li(5)Li9Mg3 cuboctahedra, edges with three equivalent Li(2)Li10Mg2 cuboctahedra, edges with three equivalent Li(4)Li10Mg2 cuboctahedra, edges with four equivalent Li(3)Li11Mg cuboctahedra, edges with six equivalent Li(1)Li10Mg2 cuboctahedra, faces with two equivalent Mg(1)Li10Mg2 cuboctahedra, faces with three equivalent Li(1)Li10Mg2 cuboctahedra, faces with three equivalent Li(2)Li10Mg2 cuboctahedra, faces with three equivalent Li(4)Li10Mg2 cuboctahedra, faces with four equivalent Li(3)Li11Mg cuboctahedra, and faces with five equivalent Li(5)Li9Mg3 cuboctahedra. is represented by the CIF card [CIF]
data_Li5Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.959
_cell_length_b   5.959
_cell_length_c   7.269
_cell_angle_alpha   74.562
_cell_angle_beta   74.562
_cell_angle_gamma   29.585
_symmetry_Int_Tables_number   1
_cell_volume   122.511
_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  1.000  1.000  0.003  1.0
  Li  Li1  1  0.278  0.278  0.944  1.0
  Li  Li2  1  0.666  0.666  0.668  1.0
  Li  Li3  1  0.945  0.945  0.612  1.0
  Li  Li4  1  0.333  0.333  0.332  1.0
  Mg  Mg5  1  0.612  0.612  0.274  1.0
[/CIF]
.