The compound described by LiMg crystallizes in the monoclinic Cm space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent Li(1), two equivalent Li(3), three equivalent Li(2), one Mg(2), two equivalent Mg(1), and two equivalent Mg(3) atoms to form distorted LiLi7Mg5 cuboctahedra that share corners with six equivalent Li(3)Li6Mg6 cuboctahedra, corners with six equivalent Li(1)Li7Mg5 cuboctahedra, corners with six equivalent Mg(3)Li5Mg7 cuboctahedra, edges with two equivalent Li(2)Li7Mg5 cuboctahedra, edges with three equivalent Li(3)Li6Mg6 cuboctahedra, edges with three equivalent Mg(3)Li5Mg7 cuboctahedra, edges with four equivalent Mg(2)Li6Mg6 cuboctahedra, edges with six equivalent Mg(1)Li5Mg7 cuboctahedra, faces with two equivalent Li(1)Li7Mg5 cuboctahedra, faces with three equivalent Li(3)Li6Mg6 cuboctahedra, faces with three equivalent Mg(1)Li5Mg7 cuboctahedra, faces with three equivalent Mg(3)Li5Mg7 cuboctahedra, faces with four equivalent Mg(2)Li6Mg6 cuboctahedra, and faces with five equivalent Li(2)Li7Mg5 cuboctahedra. In the second Li site, Li(2) is bonded to two equivalent Li(2), two equivalent Li(3), three equivalent Li(1), one Mg(3), two equivalent Mg(1), and two equivalent Mg(2) atoms to form distorted LiLi7Mg5 cuboctahedra that share corners with six equivalent Li(2)Li7Mg5 cuboctahedra, corners with six equivalent Mg(1)Li5Mg7 cuboctahedra, corners with six equivalent Mg(2)Li6Mg6 cuboctahedra, edges with two equivalent Li(1)Li7Mg5 cuboctahedra, edges with three equivalent Mg(1)Li5Mg7 cuboctahedra, edges with three equivalent Mg(2)Li6Mg6 cuboctahedra, edges with four equivalent Mg(3)Li5Mg7 cuboctahedra, edges with six equivalent Li(3)Li6Mg6 cuboctahedra, faces with two equivalent Li(2)Li7Mg5 cuboctahedra, faces with three equivalent Li(3)Li6Mg6 cuboctahedra, faces with three equivalent Mg(1)Li5Mg7 cuboctahedra, faces with three equivalent Mg(2)Li6Mg6 cuboctahedra, faces with four equivalent Mg(3)Li5Mg7 cuboctahedra, and faces with five equivalent Li(1)Li7Mg5 cuboctahedra. In the third Li site, Li(3) is bonded to two equivalent Li(1), two equivalent Li(2), two equivalent Li(3), one Mg(1), two equivalent Mg(3), and three equivalent Mg(2) atoms to form distorted LiLi6Mg6 cuboctahedra that share corners with six equivalent Li(3)Li6Mg6 cuboctahedra, corners with six equivalent Li(1)Li7Mg5 cuboctahedra, corners with six equivalent Mg(3)Li5Mg7 cuboctahedra, edges with two equivalent Mg(2)Li6Mg6 cuboctahedra, edges with three equivalent Li(1)Li7Mg5 cuboctahedra, edges with three equivalent Mg(3)Li5Mg7 cuboctahedra, edges with four equivalent Mg(1)Li5Mg7 cuboctahedra, edges with six equivalent Li(2)Li7Mg5 cuboctahedra, faces with two equivalent Li(3)Li6Mg6 cuboctahedra, faces with three equivalent Li(1)Li7Mg5 cuboctahedra, faces with three equivalent Li(2)Li7Mg5 cuboctahedra, faces with three equivalent Mg(3)Li5Mg7 cuboctahedra, faces with four equivalent Mg(1)Li5Mg7 cuboctahedra, and faces with five equivalent Mg(2)Li6Mg6 cuboctahedra. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one Li(3), two equivalent Li(1), two equivalent Li(2), two equivalent Mg(1), two equivalent Mg(2), and three equivalent Mg(3) atoms to form distorted MgLi5Mg7 cuboctahedra that share corners with six equivalent Li(2)Li7Mg5 cuboctahedra, corners with six equivalent Mg(1)Li5Mg7 cuboctahedra, corners with six equivalent Mg(2)Li6Mg6 cuboctahedra, edges with two equivalent Mg(3)Li5Mg7 cuboctahedra, edges with three equivalent Li(2)Li7Mg5 cuboctahedra, edges with three equivalent Mg(2)Li6Mg6 cuboctahedra, edges with four equivalent Li(3)Li6Mg6 cuboctahedra, edges with six equivalent Li(1)Li7Mg5 cuboctahedra, faces with two equivalent Mg(1)Li5Mg7 cuboctahedra, faces with three equivalent Li(1)Li7Mg5 cuboctahedra, faces with three equivalent Li(2)Li7Mg5 cuboctahedra, faces with three equivalent Mg(2)Li6Mg6 cuboctahedra, faces with four equivalent Li(3)Li6Mg6 cuboctahedra, and faces with five equivalent Mg(3)Li5Mg7 cuboctahedra. In the second Mg site, Mg(2) is bonded to one Li(1), two equivalent Li(2), three equivalent Li(3), 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 Li(2)Li7Mg5 cuboctahedra, corners with six equivalent Mg(1)Li5Mg7 cuboctahedra, corners with six equivalent Mg(2)Li6Mg6 cuboctahedra, edges with two equivalent Li(3)Li6Mg6 cuboctahedra, edges with three equivalent Li(2)Li7Mg5 cuboctahedra, edges with three equivalent Mg(1)Li5Mg7 cuboctahedra, edges with four equivalent Li(1)Li7Mg5 cuboctahedra, edges with six equivalent Mg(3)Li5Mg7 cuboctahedra, faces with two equivalent Mg(2)Li6Mg6 cuboctahedra, faces with three equivalent Li(2)Li7Mg5 cuboctahedra, faces with three equivalent Mg(1)Li5Mg7 cuboctahedra, faces with three equivalent Mg(3)Li5Mg7 cuboctahedra, faces with four equivalent Li(1)Li7Mg5 cuboctahedra, and faces with five equivalent Li(3)Li6Mg6 cuboctahedra. In the third Mg site, Mg(3) is bonded to one Li(2), two equivalent Li(1), two equivalent Li(3), two equivalent Mg(2), two equivalent Mg(3), and three equivalent Mg(1) atoms to form distorted MgLi5Mg7 cuboctahedra that share corners with six equivalent Li(3)Li6Mg6 cuboctahedra, corners with six equivalent Li(1)Li7Mg5 cuboctahedra, corners with six equivalent Mg(3)Li5Mg7 cuboctahedra, edges with two equivalent Mg(1)Li5Mg7 cuboctahedra, edges with three equivalent Li(3)Li6Mg6 cuboctahedra, edges with three equivalent Li(1)Li7Mg5 cuboctahedra, edges with four equivalent Li(2)Li7Mg5 cuboctahedra, edges with six equivalent Mg(2)Li6Mg6 cuboctahedra, faces with two equivalent Mg(3)Li5Mg7 cuboctahedra, faces with three equivalent Li(3)Li6Mg6 cuboctahedra, faces with three equivalent Li(1)Li7Mg5 cuboctahedra, faces with three equivalent Mg(2)Li6Mg6 cuboctahedra, faces with four equivalent Li(2)Li7Mg5 cuboctahedra, and faces with five equivalent Mg(1)Li5Mg7 cuboctahedra. is represented by the CIF card [CIF]
data_LiMg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.833
_cell_length_b   5.833
_cell_length_c   7.421
_cell_angle_alpha   73.763
_cell_angle_beta   73.763
_cell_angle_gamma   31.307
_symmetry_Int_Tables_number   1
_cell_volume   125.530
_cell_formula_units_Z   3
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  0.612  0.612  0.277  1.0
  Li  Li1  1  0.333  0.333  0.335  1.0
  Li  Li2  1  0.946  0.946  0.608  1.0
  Mg  Mg3  1  0.998  0.998  0.009  1.0
  Mg  Mg4  1  0.667  0.667  0.661  1.0
  Mg  Mg5  1  0.279  0.279  0.943  1.0
[/CIF]
.
The compound described by LiMg crystallizes in the monoclinic Cm space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent Li(1), two equivalent Li(3), three equivalent Li(2), one Mg(2), two equivalent Mg(1), and two equivalent Mg(3) atoms to form distorted LiLi7Mg5 cuboctahedra that share corners with six equivalent Li(3)Li6Mg6 cuboctahedra, corners with six equivalent Li(1)Li7Mg5 cuboctahedra, corners with six equivalent Mg(3)Li5Mg7 cuboctahedra, edges with two equivalent Li(2)Li7Mg5 cuboctahedra, edges with three equivalent Li(3)Li6Mg6 cuboctahedra, edges with three equivalent Mg(3)Li5Mg7 cuboctahedra, edges with four equivalent Mg(2)Li6Mg6 cuboctahedra, edges with six equivalent Mg(1)Li5Mg7 cuboctahedra, faces with two equivalent Li(1)Li7Mg5 cuboctahedra, faces with three equivalent Li(3)Li6Mg6 cuboctahedra, faces with three equivalent Mg(1)Li5Mg7 cuboctahedra, faces with three equivalent Mg(3)Li5Mg7 cuboctahedra, faces with four equivalent Mg(2)Li6Mg6 cuboctahedra, and faces with five equivalent Li(2)Li7Mg5 cuboctahedra. In the second Li site, Li(2) is bonded to two equivalent Li(2), two equivalent Li(3), three equivalent Li(1), one Mg(3), two equivalent Mg(1), and two equivalent Mg(2) atoms to form distorted LiLi7Mg5 cuboctahedra that share corners with six equivalent Li(2)Li7Mg5 cuboctahedra, corners with six equivalent Mg(1)Li5Mg7 cuboctahedra, corners with six equivalent Mg(2)Li6Mg6 cuboctahedra, edges with two equivalent Li(1)Li7Mg5 cuboctahedra, edges with three equivalent Mg(1)Li5Mg7 cuboctahedra, edges with three equivalent Mg(2)Li6Mg6 cuboctahedra, edges with four equivalent Mg(3)Li5Mg7 cuboctahedra, edges with six equivalent Li(3)Li6Mg6 cuboctahedra, faces with two equivalent Li(2)Li7Mg5 cuboctahedra, faces with three equivalent Li(3)Li6Mg6 cuboctahedra, faces with three equivalent Mg(1)Li5Mg7 cuboctahedra, faces with three equivalent Mg(2)Li6Mg6 cuboctahedra, faces with four equivalent Mg(3)Li5Mg7 cuboctahedra, and faces with five equivalent Li(1)Li7Mg5 cuboctahedra. In the third Li site, Li(3) is bonded to two equivalent Li(1), two equivalent Li(2), two equivalent Li(3), one Mg(1), two equivalent Mg(3), and three equivalent Mg(2) atoms to form distorted LiLi6Mg6 cuboctahedra that share corners with six equivalent Li(3)Li6Mg6 cuboctahedra, corners with six equivalent Li(1)Li7Mg5 cuboctahedra, corners with six equivalent Mg(3)Li5Mg7 cuboctahedra, edges with two equivalent Mg(2)Li6Mg6 cuboctahedra, edges with three equivalent Li(1)Li7Mg5 cuboctahedra, edges with three equivalent Mg(3)Li5Mg7 cuboctahedra, edges with four equivalent Mg(1)Li5Mg7 cuboctahedra, edges with six equivalent Li(2)Li7Mg5 cuboctahedra, faces with two equivalent Li(3)Li6Mg6 cuboctahedra, faces with three equivalent Li(1)Li7Mg5 cuboctahedra, faces with three equivalent Li(2)Li7Mg5 cuboctahedra, faces with three equivalent Mg(3)Li5Mg7 cuboctahedra, faces with four equivalent Mg(1)Li5Mg7 cuboctahedra, and faces with five equivalent Mg(2)Li6Mg6 cuboctahedra. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one Li(3), two equivalent Li(1), two equivalent Li(2), two equivalent Mg(1), two equivalent Mg(2), and three equivalent Mg(3) atoms to form distorted MgLi5Mg7 cuboctahedra that share corners with six equivalent Li(2)Li7Mg5 cuboctahedra, corners with six equivalent Mg(1)Li5Mg7 cuboctahedra, corners with six equivalent Mg(2)Li6Mg6 cuboctahedra, edges with two equivalent Mg(3)Li5Mg7 cuboctahedra, edges with three equivalent Li(2)Li7Mg5 cuboctahedra, edges with three equivalent Mg(2)Li6Mg6 cuboctahedra, edges with four equivalent Li(3)Li6Mg6 cuboctahedra, edges with six equivalent Li(1)Li7Mg5 cuboctahedra, faces with two equivalent Mg(1)Li5Mg7 cuboctahedra, faces with three equivalent Li(1)Li7Mg5 cuboctahedra, faces with three equivalent Li(2)Li7Mg5 cuboctahedra, faces with three equivalent Mg(2)Li6Mg6 cuboctahedra, faces with four equivalent Li(3)Li6Mg6 cuboctahedra, and faces with five equivalent Mg(3)Li5Mg7 cuboctahedra. In the second Mg site, Mg(2) is bonded to one Li(1), two equivalent Li(2), three equivalent Li(3), 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 Li(2)Li7Mg5 cuboctahedra, corners with six equivalent Mg(1)Li5Mg7 cuboctahedra, corners with six equivalent Mg(2)Li6Mg6 cuboctahedra, edges with two equivalent Li(3)Li6Mg6 cuboctahedra, edges with three equivalent Li(2)Li7Mg5 cuboctahedra, edges with three equivalent Mg(1)Li5Mg7 cuboctahedra, edges with four equivalent Li(1)Li7Mg5 cuboctahedra, edges with six equivalent Mg(3)Li5Mg7 cuboctahedra, faces with two equivalent Mg(2)Li6Mg6 cuboctahedra, faces with three equivalent Li(2)Li7Mg5 cuboctahedra, faces with three equivalent Mg(1)Li5Mg7 cuboctahedra, faces with three equivalent Mg(3)Li5Mg7 cuboctahedra, faces with four equivalent Li(1)Li7Mg5 cuboctahedra, and faces with five equivalent Li(3)Li6Mg6 cuboctahedra. In the third Mg site, Mg(3) is bonded to one Li(2), two equivalent Li(1), two equivalent Li(3), two equivalent Mg(2), two equivalent Mg(3), and three equivalent Mg(1) atoms to form distorted MgLi5Mg7 cuboctahedra that share corners with six equivalent Li(3)Li6Mg6 cuboctahedra, corners with six equivalent Li(1)Li7Mg5 cuboctahedra, corners with six equivalent Mg(3)Li5Mg7 cuboctahedra, edges with two equivalent Mg(1)Li5Mg7 cuboctahedra, edges with three equivalent Li(3)Li6Mg6 cuboctahedra, edges with three equivalent Li(1)Li7Mg5 cuboctahedra, edges with four equivalent Li(2)Li7Mg5 cuboctahedra, edges with six equivalent Mg(2)Li6Mg6 cuboctahedra, faces with two equivalent Mg(3)Li5Mg7 cuboctahedra, faces with three equivalent Li(3)Li6Mg6 cuboctahedra, faces with three equivalent Li(1)Li7Mg5 cuboctahedra, faces with three equivalent Mg(2)Li6Mg6 cuboctahedra, faces with four equivalent Li(2)Li7Mg5 cuboctahedra, and faces with five equivalent Mg(1)Li5Mg7 cuboctahedra. is represented by the CIF card [CIF]
data_LiMg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.833
_cell_length_b   5.833
_cell_length_c   7.421
_cell_angle_alpha   73.763
_cell_angle_beta   73.763
_cell_angle_gamma   31.307
_symmetry_Int_Tables_number   1
_cell_volume   125.530
_cell_formula_units_Z   3
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  0.612  0.612  0.277  1.0
  Li  Li1  1  0.333  0.333  0.335  1.0
  Li  Li2  1  0.946  0.946  0.608  1.0
  Mg  Mg3  1  0.998  0.998  0.009  1.0
  Mg  Mg4  1  0.667  0.667  0.661  1.0
  Mg  Mg5  1  0.279  0.279  0.943  1.0
[/CIF]
.