The compound described by LiMg is beta-derived structured and crystallizes in the trigonal P3m1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to three equivalent Li(2), six equivalent Li(1), and three equivalent Mg(1) atoms to form LiLi9Mg3 cuboctahedra that share corners with six equivalent Li(3)Li6Mg6 cuboctahedra, corners with six equivalent Li(1)Li9Mg3 cuboctahedra, corners with six equivalent Mg(2)Li3Mg9 cuboctahedra, edges with six equivalent Li(1)Li9Mg3 cuboctahedra, edges with six equivalent Li(2)Li9Mg3 cuboctahedra, edges with six equivalent Mg(1)Li6Mg6 cuboctahedra,  a faceface with one Li(3)Li6Mg6 cuboctahedra,  a faceface with one Mg(2)Li3Mg9 cuboctahedra, faces with six equivalent Li(1)Li9Mg3 cuboctahedra, faces with six equivalent Li(2)Li9Mg3 cuboctahedra, and faces with six equivalent Mg(1)Li6Mg6 cuboctahedra. In the second Li site, Li(2) is bonded to three equivalent Li(1), six equivalent Li(2), and three equivalent Mg(2) atoms to form distorted LiLi9Mg3 cuboctahedra that share corners with six equivalent Li(2)Li9Mg3 cuboctahedra, corners with six equivalent Mg(3)Li3Mg9 cuboctahedra, corners with six equivalent Mg(1)Li6Mg6 cuboctahedra, edges with six equivalent Li(1)Li9Mg3 cuboctahedra, edges with six equivalent Li(2)Li9Mg3 cuboctahedra, edges with six equivalent Mg(2)Li3Mg9 cuboctahedra,  a faceface with one Mg(3)Li3Mg9 cuboctahedra,  a faceface with one Mg(1)Li6Mg6 cuboctahedra, faces with six equivalent Li(1)Li9Mg3 cuboctahedra, faces with six equivalent Li(2)Li9Mg3 cuboctahedra, and faces with six equivalent Mg(2)Li3Mg9 cuboctahedra. In the third Li site, Li(3) is bonded to six equivalent Li(3), three equivalent Mg(1), and three equivalent Mg(3) atoms to form distorted LiLi6Mg6 cuboctahedra that share corners with six equivalent Li(3)Li6Mg6 cuboctahedra, corners with six equivalent Li(1)Li9Mg3 cuboctahedra, corners with six equivalent Mg(2)Li3Mg9 cuboctahedra, edges with six equivalent Li(3)Li6Mg6 cuboctahedra, edges with six equivalent Mg(3)Li3Mg9 cuboctahedra, edges with six equivalent Mg(1)Li6Mg6 cuboctahedra,  a faceface with one Li(1)Li9Mg3 cuboctahedra,  a faceface with one Mg(2)Li3Mg9 cuboctahedra, faces with six equivalent Li(3)Li6Mg6 cuboctahedra, faces with six equivalent Mg(3)Li3Mg9 cuboctahedra, and faces with six equivalent Mg(1)Li6Mg6 cuboctahedra. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to three equivalent Li(1), three equivalent Li(3), and six equivalent Mg(1) atoms to form MgLi6Mg6 cuboctahedra that share corners with six equivalent Li(2)Li9Mg3 cuboctahedra, corners with six equivalent Mg(3)Li3Mg9 cuboctahedra, corners with six equivalent Mg(1)Li6Mg6 cuboctahedra, edges with six equivalent Li(3)Li6Mg6 cuboctahedra, edges with six equivalent Li(1)Li9Mg3 cuboctahedra, edges with six equivalent Mg(1)Li6Mg6 cuboctahedra,  a faceface with one Li(2)Li9Mg3 cuboctahedra,  a faceface with one Mg(3)Li3Mg9 cuboctahedra, faces with six equivalent Li(3)Li6Mg6 cuboctahedra, faces with six equivalent Li(1)Li9Mg3 cuboctahedra, and faces with six equivalent Mg(1)Li6Mg6 cuboctahedra. In the second Mg site, Mg(2) is bonded to three equivalent Li(2), three equivalent Mg(3), and six equivalent Mg(2) atoms to form distorted MgLi3Mg9 cuboctahedra that share corners with six equivalent Li(3)Li6Mg6 cuboctahedra, corners with six equivalent Li(1)Li9Mg3 cuboctahedra, corners with six equivalent Mg(2)Li3Mg9 cuboctahedra, edges with six equivalent Li(2)Li9Mg3 cuboctahedra, edges with six equivalent Mg(2)Li3Mg9 cuboctahedra, edges with six equivalent Mg(3)Li3Mg9 cuboctahedra,  a faceface with one Li(3)Li6Mg6 cuboctahedra,  a faceface with one Li(1)Li9Mg3 cuboctahedra, faces with six equivalent Li(2)Li9Mg3 cuboctahedra, faces with six equivalent Mg(2)Li3Mg9 cuboctahedra, and faces with six equivalent Mg(3)Li3Mg9 cuboctahedra. In the third Mg site, Mg(3) is bonded to three equivalent Li(3), three equivalent Mg(2), and six equivalent Mg(3) atoms to form distorted MgLi3Mg9 cuboctahedra that share corners with six equivalent Li(2)Li9Mg3 cuboctahedra, corners with six equivalent Mg(3)Li3Mg9 cuboctahedra, corners with six equivalent Mg(1)Li6Mg6 cuboctahedra, edges with six equivalent Li(3)Li6Mg6 cuboctahedra, edges with six equivalent Mg(2)Li3Mg9 cuboctahedra, edges with six equivalent Mg(3)Li3Mg9 cuboctahedra,  a faceface with one Li(2)Li9Mg3 cuboctahedra,  a faceface with one Mg(1)Li6Mg6 cuboctahedra, faces with six equivalent Li(3)Li6Mg6 cuboctahedra, faces with six equivalent Mg(2)Li3Mg9 cuboctahedra, and faces with six equivalent Mg(3)Li3Mg9 cuboctahedra. is represented by the CIF card [CIF]
data_LiMg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.115
_cell_length_b   3.115
_cell_length_c   15.169
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   127.447
_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  0.333  0.667  0.831  1.0
  Li  Li1  1  0.000  0.000  0.668  1.0
  Li  Li2  1  0.333  0.667  0.167  1.0
  Mg  Mg3  1  0.000  0.000  0.002  1.0
  Mg  Mg4  1  0.333  0.667  0.503  1.0
  Mg  Mg5  1  0.000  0.000  0.330  1.0
[/CIF]
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The compound described by LiMg is beta-derived structured and crystallizes in the trigonal P3m1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to three equivalent Li(2), six equivalent Li(1), and three equivalent Mg(1) atoms to form LiLi9Mg3 cuboctahedra that share corners with six equivalent Li(3)Li6Mg6 cuboctahedra, corners with six equivalent Li(1)Li9Mg3 cuboctahedra, corners with six equivalent Mg(2)Li3Mg9 cuboctahedra, edges with six equivalent Li(1)Li9Mg3 cuboctahedra, edges with six equivalent Li(2)Li9Mg3 cuboctahedra, edges with six equivalent Mg(1)Li6Mg6 cuboctahedra,  a faceface with one Li(3)Li6Mg6 cuboctahedra,  a faceface with one Mg(2)Li3Mg9 cuboctahedra, faces with six equivalent Li(1)Li9Mg3 cuboctahedra, faces with six equivalent Li(2)Li9Mg3 cuboctahedra, and faces with six equivalent Mg(1)Li6Mg6 cuboctahedra. In the second Li site, Li(2) is bonded to three equivalent Li(1), six equivalent Li(2), and three equivalent Mg(2) atoms to form distorted LiLi9Mg3 cuboctahedra that share corners with six equivalent Li(2)Li9Mg3 cuboctahedra, corners with six equivalent Mg(3)Li3Mg9 cuboctahedra, corners with six equivalent Mg(1)Li6Mg6 cuboctahedra, edges with six equivalent Li(1)Li9Mg3 cuboctahedra, edges with six equivalent Li(2)Li9Mg3 cuboctahedra, edges with six equivalent Mg(2)Li3Mg9 cuboctahedra,  a faceface with one Mg(3)Li3Mg9 cuboctahedra,  a faceface with one Mg(1)Li6Mg6 cuboctahedra, faces with six equivalent Li(1)Li9Mg3 cuboctahedra, faces with six equivalent Li(2)Li9Mg3 cuboctahedra, and faces with six equivalent Mg(2)Li3Mg9 cuboctahedra. In the third Li site, Li(3) is bonded to six equivalent Li(3), three equivalent Mg(1), and three equivalent Mg(3) atoms to form distorted LiLi6Mg6 cuboctahedra that share corners with six equivalent Li(3)Li6Mg6 cuboctahedra, corners with six equivalent Li(1)Li9Mg3 cuboctahedra, corners with six equivalent Mg(2)Li3Mg9 cuboctahedra, edges with six equivalent Li(3)Li6Mg6 cuboctahedra, edges with six equivalent Mg(3)Li3Mg9 cuboctahedra, edges with six equivalent Mg(1)Li6Mg6 cuboctahedra,  a faceface with one Li(1)Li9Mg3 cuboctahedra,  a faceface with one Mg(2)Li3Mg9 cuboctahedra, faces with six equivalent Li(3)Li6Mg6 cuboctahedra, faces with six equivalent Mg(3)Li3Mg9 cuboctahedra, and faces with six equivalent Mg(1)Li6Mg6 cuboctahedra. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to three equivalent Li(1), three equivalent Li(3), and six equivalent Mg(1) atoms to form MgLi6Mg6 cuboctahedra that share corners with six equivalent Li(2)Li9Mg3 cuboctahedra, corners with six equivalent Mg(3)Li3Mg9 cuboctahedra, corners with six equivalent Mg(1)Li6Mg6 cuboctahedra, edges with six equivalent Li(3)Li6Mg6 cuboctahedra, edges with six equivalent Li(1)Li9Mg3 cuboctahedra, edges with six equivalent Mg(1)Li6Mg6 cuboctahedra,  a faceface with one Li(2)Li9Mg3 cuboctahedra,  a faceface with one Mg(3)Li3Mg9 cuboctahedra, faces with six equivalent Li(3)Li6Mg6 cuboctahedra, faces with six equivalent Li(1)Li9Mg3 cuboctahedra, and faces with six equivalent Mg(1)Li6Mg6 cuboctahedra. In the second Mg site, Mg(2) is bonded to three equivalent Li(2), three equivalent Mg(3), and six equivalent Mg(2) atoms to form distorted MgLi3Mg9 cuboctahedra that share corners with six equivalent Li(3)Li6Mg6 cuboctahedra, corners with six equivalent Li(1)Li9Mg3 cuboctahedra, corners with six equivalent Mg(2)Li3Mg9 cuboctahedra, edges with six equivalent Li(2)Li9Mg3 cuboctahedra, edges with six equivalent Mg(2)Li3Mg9 cuboctahedra, edges with six equivalent Mg(3)Li3Mg9 cuboctahedra,  a faceface with one Li(3)Li6Mg6 cuboctahedra,  a faceface with one Li(1)Li9Mg3 cuboctahedra, faces with six equivalent Li(2)Li9Mg3 cuboctahedra, faces with six equivalent Mg(2)Li3Mg9 cuboctahedra, and faces with six equivalent Mg(3)Li3Mg9 cuboctahedra. In the third Mg site, Mg(3) is bonded to three equivalent Li(3), three equivalent Mg(2), and six equivalent Mg(3) atoms to form distorted MgLi3Mg9 cuboctahedra that share corners with six equivalent Li(2)Li9Mg3 cuboctahedra, corners with six equivalent Mg(3)Li3Mg9 cuboctahedra, corners with six equivalent Mg(1)Li6Mg6 cuboctahedra, edges with six equivalent Li(3)Li6Mg6 cuboctahedra, edges with six equivalent Mg(2)Li3Mg9 cuboctahedra, edges with six equivalent Mg(3)Li3Mg9 cuboctahedra,  a faceface with one Li(2)Li9Mg3 cuboctahedra,  a faceface with one Mg(1)Li6Mg6 cuboctahedra, faces with six equivalent Li(3)Li6Mg6 cuboctahedra, faces with six equivalent Mg(2)Li3Mg9 cuboctahedra, and faces with six equivalent Mg(3)Li3Mg9 cuboctahedra. is represented by the CIF card [CIF]
data_LiMg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.115
_cell_length_b   3.115
_cell_length_c   15.169
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   127.447
_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  0.333  0.667  0.831  1.0
  Li  Li1  1  0.000  0.000  0.668  1.0
  Li  Li2  1  0.333  0.667  0.167  1.0
  Mg  Mg3  1  0.000  0.000  0.002  1.0
  Mg  Mg4  1  0.333  0.667  0.503  1.0
  Mg  Mg5  1  0.000  0.000  0.330  1.0
[/CIF]
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