The structure described by MgLi2 is Molybdenite structured and crystallizes in the hexagonal P6_3/mmc space group. Li(1) is bonded to nine equivalent Li(1) and three equivalent Mg(1) atoms to form LiLi9Mg3 cuboctahedra that share corners with six equivalent Mg(1)Li6Mg6 cuboctahedra, corners with twelve equivalent Li(1)Li9Mg3 cuboctahedra, edges with six equivalent Mg(1)Li6Mg6 cuboctahedra, edges with twelve equivalent Li(1)Li9Mg3 cuboctahedra, faces with seven equivalent Mg(1)Li6Mg6 cuboctahedra, and faces with thirteen equivalent Li(1)Li9Mg3 cuboctahedra. Mg(1) is bonded to six equivalent Li(1) and six equivalent Mg(1) atoms to form MgLi6Mg6 cuboctahedra that share corners with six equivalent Mg(1)Li6Mg6 cuboctahedra, corners with twelve equivalent Li(1)Li9Mg3 cuboctahedra, edges with six equivalent Mg(1)Li6Mg6 cuboctahedra, edges with twelve equivalent Li(1)Li9Mg3 cuboctahedra, faces with six equivalent Mg(1)Li6Mg6 cuboctahedra, and faces with fourteen equivalent Li(1)Li9Mg3 cuboctahedra. is represented by the CIF file [CIF]
data_Li2Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.078
_cell_length_b   3.078
_cell_length_c   15.434
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   126.654
_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  0.000  0.000  0.999  1.0
  Li  Li1  1  0.000  0.000  0.334  1.0
  Li  Li2  1  0.667  0.333  0.499  1.0
  Li  Li3  1  0.667  0.333  0.834  1.0
  Mg  Mg4  1  0.667  0.333  0.167  1.0
  Mg  Mg5  1  0.000  0.000  0.667  1.0
[/CIF]
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The structure described by MgLi2 is Molybdenite structured and crystallizes in the hexagonal P6_3/mmc space group. Li(1) is bonded to nine equivalent Li(1) and three equivalent Mg(1) atoms to form LiLi9Mg3 cuboctahedra that share corners with six equivalent Mg(1)Li6Mg6 cuboctahedra, corners with twelve equivalent Li(1)Li9Mg3 cuboctahedra, edges with six equivalent Mg(1)Li6Mg6 cuboctahedra, edges with twelve equivalent Li(1)Li9Mg3 cuboctahedra, faces with seven equivalent Mg(1)Li6Mg6 cuboctahedra, and faces with thirteen equivalent Li(1)Li9Mg3 cuboctahedra. Mg(1) is bonded to six equivalent Li(1) and six equivalent Mg(1) atoms to form MgLi6Mg6 cuboctahedra that share corners with six equivalent Mg(1)Li6Mg6 cuboctahedra, corners with twelve equivalent Li(1)Li9Mg3 cuboctahedra, edges with six equivalent Mg(1)Li6Mg6 cuboctahedra, edges with twelve equivalent Li(1)Li9Mg3 cuboctahedra, faces with six equivalent Mg(1)Li6Mg6 cuboctahedra, and faces with fourteen equivalent Li(1)Li9Mg3 cuboctahedra. is represented by the CIF file [CIF]
data_Li2Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.078
_cell_length_b   3.078
_cell_length_c   15.434
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   126.654
_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  0.000  0.000  0.999  1.0
  Li  Li1  1  0.000  0.000  0.334  1.0
  Li  Li2  1  0.667  0.333  0.499  1.0
  Li  Li3  1  0.667  0.333  0.834  1.0
  Mg  Mg4  1  0.667  0.333  0.167  1.0
  Mg  Mg5  1  0.000  0.000  0.667  1.0
[/CIF]
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