The structure described by LiMg2 crystallizes in the orthorhombic Cmcm space group. Li(1) is bonded to six equivalent Li(1), two equivalent Mg(2), and four equivalent Mg(1) atoms to form distorted LiLi6Mg6 cuboctahedra that share corners with six equivalent Li(1)Li6Mg6 cuboctahedra, corners with six equivalent Mg(2)Li2Mg10 cuboctahedra, corners with six equivalent Mg(1)Li4Mg8 cuboctahedra, edges with three equivalent Mg(1)Li4Mg8 cuboctahedra, edges with four equivalent Li(1)Li6Mg6 cuboctahedra, edges with eleven equivalent Mg(2)Li2Mg10 cuboctahedra, faces with four equivalent Mg(2)Li2Mg10 cuboctahedra, faces with eight equivalent Li(1)Li6Mg6 cuboctahedra, and faces with eight equivalent Mg(1)Li4Mg8 cuboctahedra. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to four equivalent Li(1), two equivalent Mg(1), and six equivalent Mg(2) atoms to form distorted MgLi4Mg8 cuboctahedra that share corners with six equivalent Li(1)Li6Mg6 cuboctahedra, corners with six equivalent Mg(2)Li2Mg10 cuboctahedra, corners with six equivalent Mg(1)Li4Mg8 cuboctahedra, edges with three equivalent Li(1)Li6Mg6 cuboctahedra, edges with seven equivalent Mg(2)Li2Mg10 cuboctahedra, edges with eight equivalent Mg(1)Li4Mg8 cuboctahedra, faces with six equivalent Mg(2)Li2Mg10 cuboctahedra, faces with six equivalent Mg(1)Li4Mg8 cuboctahedra, and faces with eight equivalent Li(1)Li6Mg6 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Li(1), four equivalent Mg(2), and six equivalent Mg(1) atoms to form distorted MgLi2Mg10 cuboctahedra that share corners with six equivalent Li(1)Li6Mg6 cuboctahedra, corners with six equivalent Mg(2)Li2Mg10 cuboctahedra, corners with six equivalent Mg(1)Li4Mg8 cuboctahedra, edges with seven equivalent Mg(1)Li4Mg8 cuboctahedra, edges with eleven equivalent Li(1)Li6Mg6 cuboctahedra, faces with four equivalent Li(1)Li6Mg6 cuboctahedra, faces with six equivalent Mg(1)Li4Mg8 cuboctahedra, and faces with ten equivalent Mg(2)Li2Mg10 cuboctahedra. is represented by the CIF card [CIF]
data_LiMg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.275
_cell_length_b   8.275
_cell_length_c   5.140
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   158.324
_symmetry_Int_Tables_number   1
_cell_volume   129.998
_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  0.279  0.721  0.250  1.0
  Li  Li1  1  0.721  0.279  0.750  1.0
  Mg  Mg2  1  0.614  0.386  0.250  1.0
  Mg  Mg3  1  0.943  0.057  0.250  1.0
  Mg  Mg4  1  0.057  0.943  0.750  1.0
  Mg  Mg5  1  0.386  0.614  0.750  1.0
[/CIF]
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The structure described by LiMg2 crystallizes in the orthorhombic Cmcm space group. Li(1) is bonded to six equivalent Li(1), two equivalent Mg(2), and four equivalent Mg(1) atoms to form distorted LiLi6Mg6 cuboctahedra that share corners with six equivalent Li(1)Li6Mg6 cuboctahedra, corners with six equivalent Mg(2)Li2Mg10 cuboctahedra, corners with six equivalent Mg(1)Li4Mg8 cuboctahedra, edges with three equivalent Mg(1)Li4Mg8 cuboctahedra, edges with four equivalent Li(1)Li6Mg6 cuboctahedra, edges with eleven equivalent Mg(2)Li2Mg10 cuboctahedra, faces with four equivalent Mg(2)Li2Mg10 cuboctahedra, faces with eight equivalent Li(1)Li6Mg6 cuboctahedra, and faces with eight equivalent Mg(1)Li4Mg8 cuboctahedra. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to four equivalent Li(1), two equivalent Mg(1), and six equivalent Mg(2) atoms to form distorted MgLi4Mg8 cuboctahedra that share corners with six equivalent Li(1)Li6Mg6 cuboctahedra, corners with six equivalent Mg(2)Li2Mg10 cuboctahedra, corners with six equivalent Mg(1)Li4Mg8 cuboctahedra, edges with three equivalent Li(1)Li6Mg6 cuboctahedra, edges with seven equivalent Mg(2)Li2Mg10 cuboctahedra, edges with eight equivalent Mg(1)Li4Mg8 cuboctahedra, faces with six equivalent Mg(2)Li2Mg10 cuboctahedra, faces with six equivalent Mg(1)Li4Mg8 cuboctahedra, and faces with eight equivalent Li(1)Li6Mg6 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Li(1), four equivalent Mg(2), and six equivalent Mg(1) atoms to form distorted MgLi2Mg10 cuboctahedra that share corners with six equivalent Li(1)Li6Mg6 cuboctahedra, corners with six equivalent Mg(2)Li2Mg10 cuboctahedra, corners with six equivalent Mg(1)Li4Mg8 cuboctahedra, edges with seven equivalent Mg(1)Li4Mg8 cuboctahedra, edges with eleven equivalent Li(1)Li6Mg6 cuboctahedra, faces with four equivalent Li(1)Li6Mg6 cuboctahedra, faces with six equivalent Mg(1)Li4Mg8 cuboctahedra, and faces with ten equivalent Mg(2)Li2Mg10 cuboctahedra. is represented by the CIF card [CIF]
data_LiMg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.275
_cell_length_b   8.275
_cell_length_c   5.140
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   158.324
_symmetry_Int_Tables_number   1
_cell_volume   129.998
_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  0.279  0.721  0.250  1.0
  Li  Li1  1  0.721  0.279  0.750  1.0
  Mg  Mg2  1  0.614  0.386  0.250  1.0
  Mg  Mg3  1  0.943  0.057  0.250  1.0
  Mg  Mg4  1  0.057  0.943  0.750  1.0
  Mg  Mg5  1  0.386  0.614  0.750  1.0
[/CIF]
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