The crystal structure described by LiMg2 crystallizes in the orthorhombic Cmcm space group. Li(1) is bonded to two equivalent Li(1), four equivalent Mg(1), and six equivalent Mg(2) atoms to form distorted LiLi2Mg10 cuboctahedra that share corners with six equivalent Li(1)Li2Mg10 cuboctahedra, corners with six equivalent Mg(1)Li4Mg8 cuboctahedra, corners with six equivalent Mg(2)Li6Mg6 cuboctahedra, edges with three equivalent Mg(1)Li4Mg8 cuboctahedra, edges with seven equivalent Mg(2)Li6Mg6 cuboctahedra, edges with eight equivalent Li(1)Li2Mg10 cuboctahedra, faces with six equivalent Li(1)Li2Mg10 cuboctahedra, faces with six equivalent Mg(2)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(2), and six equivalent Mg(1) atoms to form distorted MgLi4Mg8 cuboctahedra that share corners with six equivalent Li(1)Li2Mg10 cuboctahedra, corners with six equivalent Mg(1)Li4Mg8 cuboctahedra, corners with six equivalent Mg(2)Li6Mg6 cuboctahedra, edges with three equivalent Li(1)Li2Mg10 cuboctahedra, edges with four equivalent Mg(1)Li4Mg8 cuboctahedra, edges with eleven equivalent Mg(2)Li6Mg6 cuboctahedra, faces with four equivalent Mg(2)Li6Mg6 cuboctahedra, faces with eight equivalent Li(1)Li2Mg10 cuboctahedra, and faces with eight equivalent Mg(1)Li4Mg8 cuboctahedra. In the second Mg site, Mg(2) is bonded to six equivalent Li(1), two equivalent Mg(1), and four equivalent Mg(2) atoms to form distorted MgLi6Mg6 cuboctahedra that share corners with six equivalent Li(1)Li2Mg10 cuboctahedra, corners with six equivalent Mg(1)Li4Mg8 cuboctahedra, corners with six equivalent Mg(2)Li6Mg6 cuboctahedra, edges with seven equivalent Li(1)Li2Mg10 cuboctahedra, edges with eleven equivalent Mg(1)Li4Mg8 cuboctahedra, faces with four equivalent Mg(1)Li4Mg8 cuboctahedra, faces with six equivalent Li(1)Li2Mg10 cuboctahedra, and faces with ten equivalent Mg(2)Li6Mg6 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.262
_cell_length_b   8.262
_cell_length_c   5.028
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   158.123
_symmetry_Int_Tables_number   1
_cell_volume   127.893
_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  0.611  0.389  0.250  1.0
  Li  Li1  1  0.389  0.611  0.750  1.0
  Mg  Mg2  1  0.278  0.722  0.250  1.0
  Mg  Mg3  1  0.945  0.055  0.250  1.0
  Mg  Mg4  1  0.722  0.278  0.750  1.0
  Mg  Mg5  1  0.055  0.945  0.750  1.0
[/CIF]
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The crystal structure described by LiMg2 crystallizes in the orthorhombic Cmcm space group. Li(1) is bonded to two equivalent Li(1), four equivalent Mg(1), and six equivalent Mg(2) atoms to form distorted LiLi2Mg10 cuboctahedra that share corners with six equivalent Li(1)Li2Mg10 cuboctahedra, corners with six equivalent Mg(1)Li4Mg8 cuboctahedra, corners with six equivalent Mg(2)Li6Mg6 cuboctahedra, edges with three equivalent Mg(1)Li4Mg8 cuboctahedra, edges with seven equivalent Mg(2)Li6Mg6 cuboctahedra, edges with eight equivalent Li(1)Li2Mg10 cuboctahedra, faces with six equivalent Li(1)Li2Mg10 cuboctahedra, faces with six equivalent Mg(2)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(2), and six equivalent Mg(1) atoms to form distorted MgLi4Mg8 cuboctahedra that share corners with six equivalent Li(1)Li2Mg10 cuboctahedra, corners with six equivalent Mg(1)Li4Mg8 cuboctahedra, corners with six equivalent Mg(2)Li6Mg6 cuboctahedra, edges with three equivalent Li(1)Li2Mg10 cuboctahedra, edges with four equivalent Mg(1)Li4Mg8 cuboctahedra, edges with eleven equivalent Mg(2)Li6Mg6 cuboctahedra, faces with four equivalent Mg(2)Li6Mg6 cuboctahedra, faces with eight equivalent Li(1)Li2Mg10 cuboctahedra, and faces with eight equivalent Mg(1)Li4Mg8 cuboctahedra. In the second Mg site, Mg(2) is bonded to six equivalent Li(1), two equivalent Mg(1), and four equivalent Mg(2) atoms to form distorted MgLi6Mg6 cuboctahedra that share corners with six equivalent Li(1)Li2Mg10 cuboctahedra, corners with six equivalent Mg(1)Li4Mg8 cuboctahedra, corners with six equivalent Mg(2)Li6Mg6 cuboctahedra, edges with seven equivalent Li(1)Li2Mg10 cuboctahedra, edges with eleven equivalent Mg(1)Li4Mg8 cuboctahedra, faces with four equivalent Mg(1)Li4Mg8 cuboctahedra, faces with six equivalent Li(1)Li2Mg10 cuboctahedra, and faces with ten equivalent Mg(2)Li6Mg6 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.262
_cell_length_b   8.262
_cell_length_c   5.028
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   158.123
_symmetry_Int_Tables_number   1
_cell_volume   127.893
_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  0.611  0.389  0.250  1.0
  Li  Li1  1  0.389  0.611  0.750  1.0
  Mg  Mg2  1  0.278  0.722  0.250  1.0
  Mg  Mg3  1  0.945  0.055  0.250  1.0
  Mg  Mg4  1  0.722  0.278  0.750  1.0
  Mg  Mg5  1  0.055  0.945  0.750  1.0
[/CIF]
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