The structure described by MgLi2 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to four equivalent Li(1), six 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(2)Li8Mg4 cuboctahedra, corners with six equivalent Mg(1)Li6Mg6 cuboctahedra, edges with seven equivalent Li(2)Li8Mg4 cuboctahedra, edges with eleven equivalent Mg(1)Li6Mg6 cuboctahedra, faces with four equivalent Mg(1)Li6Mg6 cuboctahedra, faces with six equivalent Li(2)Li8Mg4 cuboctahedra, and faces with ten equivalent Li(1)Li10Mg2 cuboctahedra. In the second Li site, Li(2) is bonded to two equivalent Li(2), six equivalent Li(1), and four equivalent Mg(1) atoms to form distorted LiLi8Mg4 cuboctahedra that share corners with six equivalent Li(1)Li10Mg2 cuboctahedra, corners with six equivalent Li(2)Li8Mg4 cuboctahedra, corners with six equivalent Mg(1)Li6Mg6 cuboctahedra, edges with three equivalent Mg(1)Li6Mg6 cuboctahedra, edges with seven equivalent Li(1)Li10Mg2 cuboctahedra, edges with eight equivalent Li(2)Li8Mg4 cuboctahedra, faces with six equivalent Li(1)Li10Mg2 cuboctahedra, faces with six equivalent Li(2)Li8Mg4 cuboctahedra, and faces with eight equivalent Mg(1)Li6Mg6 cuboctahedra. Mg(1) is bonded to two equivalent Li(1), four equivalent Li(2), and six equivalent Mg(1) atoms to form distorted MgLi6Mg6 cuboctahedra that share corners with six equivalent Li(1)Li10Mg2 cuboctahedra, corners with six equivalent Li(2)Li8Mg4 cuboctahedra, corners with six equivalent Mg(1)Li6Mg6 cuboctahedra, edges with three equivalent Li(2)Li8Mg4 cuboctahedra, edges with four equivalent Mg(1)Li6Mg6 cuboctahedra, edges with eleven equivalent Li(1)Li10Mg2 cuboctahedra, faces with four equivalent Li(1)Li10Mg2 cuboctahedra, faces with eight equivalent Li(2)Li8Mg4 cuboctahedra, and faces with eight equivalent Mg(1)Li6Mg6 cuboctahedra. is represented by the CIF card [CIF]
data_Li2Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.081
_cell_length_b   8.165
_cell_length_c   5.047
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   79.124
_symmetry_Int_Tables_number   1
_cell_volume   124.698
_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  0.002  0.996  0.000  1.0
  Li  Li1  1  0.667  0.666  0.000  1.0
  Li  Li2  1  0.444  0.112  0.500  1.0
  Li  Li3  1  0.109  0.781  0.500  1.0
  Mg  Mg4  1  0.336  0.327  0.000  1.0
  Mg  Mg5  1  0.775  0.450  0.500  1.0
[/CIF]
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The structure described by MgLi2 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to four equivalent Li(1), six 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(2)Li8Mg4 cuboctahedra, corners with six equivalent Mg(1)Li6Mg6 cuboctahedra, edges with seven equivalent Li(2)Li8Mg4 cuboctahedra, edges with eleven equivalent Mg(1)Li6Mg6 cuboctahedra, faces with four equivalent Mg(1)Li6Mg6 cuboctahedra, faces with six equivalent Li(2)Li8Mg4 cuboctahedra, and faces with ten equivalent Li(1)Li10Mg2 cuboctahedra. In the second Li site, Li(2) is bonded to two equivalent Li(2), six equivalent Li(1), and four equivalent Mg(1) atoms to form distorted LiLi8Mg4 cuboctahedra that share corners with six equivalent Li(1)Li10Mg2 cuboctahedra, corners with six equivalent Li(2)Li8Mg4 cuboctahedra, corners with six equivalent Mg(1)Li6Mg6 cuboctahedra, edges with three equivalent Mg(1)Li6Mg6 cuboctahedra, edges with seven equivalent Li(1)Li10Mg2 cuboctahedra, edges with eight equivalent Li(2)Li8Mg4 cuboctahedra, faces with six equivalent Li(1)Li10Mg2 cuboctahedra, faces with six equivalent Li(2)Li8Mg4 cuboctahedra, and faces with eight equivalent Mg(1)Li6Mg6 cuboctahedra. Mg(1) is bonded to two equivalent Li(1), four equivalent Li(2), and six equivalent Mg(1) atoms to form distorted MgLi6Mg6 cuboctahedra that share corners with six equivalent Li(1)Li10Mg2 cuboctahedra, corners with six equivalent Li(2)Li8Mg4 cuboctahedra, corners with six equivalent Mg(1)Li6Mg6 cuboctahedra, edges with three equivalent Li(2)Li8Mg4 cuboctahedra, edges with four equivalent Mg(1)Li6Mg6 cuboctahedra, edges with eleven equivalent Li(1)Li10Mg2 cuboctahedra, faces with four equivalent Li(1)Li10Mg2 cuboctahedra, faces with eight equivalent Li(2)Li8Mg4 cuboctahedra, and faces with eight equivalent Mg(1)Li6Mg6 cuboctahedra. is represented by the CIF card [CIF]
data_Li2Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.081
_cell_length_b   8.165
_cell_length_c   5.047
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   79.124
_symmetry_Int_Tables_number   1
_cell_volume   124.698
_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  0.002  0.996  0.000  1.0
  Li  Li1  1  0.667  0.666  0.000  1.0
  Li  Li2  1  0.444  0.112  0.500  1.0
  Li  Li3  1  0.109  0.781  0.500  1.0
  Mg  Mg4  1  0.336  0.327  0.000  1.0
  Mg  Mg5  1  0.775  0.450  0.500  1.0
[/CIF]
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