The compound described by LiMg crystallizes in the hexagonal P-6m2 space group. There are two 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(2) atoms to form distorted LiLi9Mg3 cuboctahedra that share corners with six equivalent Mg(1)Mg12 cuboctahedra, corners with twelve equivalent Li(1)Li9Mg3 cuboctahedra, edges with six equivalent Li(2)Li12 cuboctahedra, edges with six equivalent Li(1)Li9Mg3 cuboctahedra, edges with six equivalent Mg(2)Li3Mg9 cuboctahedra,  a faceface with one Mg(1)Mg12 cuboctahedra, faces with six equivalent Li(2)Li12 cuboctahedra, faces with six equivalent Mg(2)Li3Mg9 cuboctahedra, and faces with seven equivalent Li(1)Li9Mg3 cuboctahedra. In the second Li site, Li(2) is bonded to six equivalent Li(1) and six equivalent Li(2) atoms to form LiLi12 cuboctahedra that share corners with six equivalent Li(2)Li12 cuboctahedra, corners with twelve equivalent Mg(2)Li3Mg9 cuboctahedra, edges with six equivalent Li(2)Li12 cuboctahedra, edges with twelve equivalent Li(1)Li9Mg3 cuboctahedra, faces with two equivalent Mg(2)Li3Mg9 cuboctahedra, faces with six equivalent Li(2)Li12 cuboctahedra, and faces with twelve equivalent Li(1)Li9Mg3 cuboctahedra. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to six equivalent Mg(1) and six equivalent Mg(2) atoms to form MgMg12 cuboctahedra that share corners with six equivalent Mg(1)Mg12 cuboctahedra, corners with twelve equivalent Li(1)Li9Mg3 cuboctahedra, edges with six equivalent Mg(1)Mg12 cuboctahedra, edges with twelve equivalent Mg(2)Li3Mg9 cuboctahedra, faces with two equivalent Li(1)Li9Mg3 cuboctahedra, faces with six equivalent Mg(1)Mg12 cuboctahedra, and faces with twelve equivalent Mg(2)Li3Mg9 cuboctahedra. In the second Mg site, Mg(2) is bonded to three equivalent Li(1), three equivalent Mg(1), and six equivalent Mg(2) atoms to form distorted MgLi3Mg9 cuboctahedra that share corners with six equivalent Li(2)Li12 cuboctahedra, corners with twelve equivalent Mg(2)Li3Mg9 cuboctahedra, edges with six equivalent Li(1)Li9Mg3 cuboctahedra, edges with six equivalent Mg(2)Li3Mg9 cuboctahedra, edges with six equivalent Mg(1)Mg12 cuboctahedra,  a faceface with one Li(2)Li12 cuboctahedra, faces with six equivalent Li(1)Li9Mg3 cuboctahedra, faces with six equivalent Mg(1)Mg12 cuboctahedra, and faces with seven equivalent Mg(2)Li3Mg9 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.136
_cell_length_b   3.136
_cell_length_c   15.198
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.995
_symmetry_Int_Tables_number   1
_cell_volume   129.444
_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  0.000  1.000  0.666  1.0
  Li  Li1  1  0.667  0.333  0.500  1.0
  Li  Li2  1  0.000  1.000  0.334  1.0
  Mg  Mg3  1  0.000  1.000  0.000  1.0
  Mg  Mg4  1  0.667  0.333  0.829  1.0
  Mg  Mg5  1  0.667  0.333  0.171  1.0
[/CIF]
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The compound described by LiMg crystallizes in the hexagonal P-6m2 space group. There are two 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(2) atoms to form distorted LiLi9Mg3 cuboctahedra that share corners with six equivalent Mg(1)Mg12 cuboctahedra, corners with twelve equivalent Li(1)Li9Mg3 cuboctahedra, edges with six equivalent Li(2)Li12 cuboctahedra, edges with six equivalent Li(1)Li9Mg3 cuboctahedra, edges with six equivalent Mg(2)Li3Mg9 cuboctahedra,  a faceface with one Mg(1)Mg12 cuboctahedra, faces with six equivalent Li(2)Li12 cuboctahedra, faces with six equivalent Mg(2)Li3Mg9 cuboctahedra, and faces with seven equivalent Li(1)Li9Mg3 cuboctahedra. In the second Li site, Li(2) is bonded to six equivalent Li(1) and six equivalent Li(2) atoms to form LiLi12 cuboctahedra that share corners with six equivalent Li(2)Li12 cuboctahedra, corners with twelve equivalent Mg(2)Li3Mg9 cuboctahedra, edges with six equivalent Li(2)Li12 cuboctahedra, edges with twelve equivalent Li(1)Li9Mg3 cuboctahedra, faces with two equivalent Mg(2)Li3Mg9 cuboctahedra, faces with six equivalent Li(2)Li12 cuboctahedra, and faces with twelve equivalent Li(1)Li9Mg3 cuboctahedra. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to six equivalent Mg(1) and six equivalent Mg(2) atoms to form MgMg12 cuboctahedra that share corners with six equivalent Mg(1)Mg12 cuboctahedra, corners with twelve equivalent Li(1)Li9Mg3 cuboctahedra, edges with six equivalent Mg(1)Mg12 cuboctahedra, edges with twelve equivalent Mg(2)Li3Mg9 cuboctahedra, faces with two equivalent Li(1)Li9Mg3 cuboctahedra, faces with six equivalent Mg(1)Mg12 cuboctahedra, and faces with twelve equivalent Mg(2)Li3Mg9 cuboctahedra. In the second Mg site, Mg(2) is bonded to three equivalent Li(1), three equivalent Mg(1), and six equivalent Mg(2) atoms to form distorted MgLi3Mg9 cuboctahedra that share corners with six equivalent Li(2)Li12 cuboctahedra, corners with twelve equivalent Mg(2)Li3Mg9 cuboctahedra, edges with six equivalent Li(1)Li9Mg3 cuboctahedra, edges with six equivalent Mg(2)Li3Mg9 cuboctahedra, edges with six equivalent Mg(1)Mg12 cuboctahedra,  a faceface with one Li(2)Li12 cuboctahedra, faces with six equivalent Li(1)Li9Mg3 cuboctahedra, faces with six equivalent Mg(1)Mg12 cuboctahedra, and faces with seven equivalent Mg(2)Li3Mg9 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.136
_cell_length_b   3.136
_cell_length_c   15.198
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.995
_symmetry_Int_Tables_number   1
_cell_volume   129.444
_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  0.000  1.000  0.666  1.0
  Li  Li1  1  0.667  0.333  0.500  1.0
  Li  Li2  1  0.000  1.000  0.334  1.0
  Mg  Mg3  1  0.000  1.000  0.000  1.0
  Mg  Mg4  1  0.667  0.333  0.829  1.0
  Mg  Mg5  1  0.667  0.333  0.171  1.0
[/CIF]
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