The material structure described by MgLi2 crystallizes in the orthorhombic Cmcm space group. Li(1) is bonded to seven equivalent Li(1) and five equivalent Mg(1) atoms to form distorted LiLi7Mg5 cuboctahedra that share corners with nine equivalent Li(1)Li7Mg5 cuboctahedra, corners with nine equivalent Mg(1)Li10Mg2 cuboctahedra, edges with four equivalent Mg(1)Li10Mg2 cuboctahedra, edges with fourteen equivalent Li(1)Li7Mg5 cuboctahedra, faces with seven equivalent Mg(1)Li10Mg2 cuboctahedra, and faces with thirteen equivalent Li(1)Li7Mg5 cuboctahedra. Mg(1) is bonded to ten equivalent Li(1) and two equivalent Mg(1) atoms to form distorted MgLi10Mg2 cuboctahedra that share corners with eighteen equivalent Li(1)Li7Mg5 cuboctahedra, edges with eight equivalent Li(1)Li7Mg5 cuboctahedra, edges with ten equivalent Mg(1)Li10Mg2 cuboctahedra, faces with six equivalent Mg(1)Li10Mg2 cuboctahedra, and faces with fourteen equivalent Li(1)Li7Mg5 cuboctahedra. is represented by the CIF card [CIF]
data_Li2Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.299
_cell_length_b   5.299
_cell_length_c   5.071
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.505
_symmetry_Int_Tables_number   1
_cell_volume   122.687
_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  0.011  0.334  0.750  1.0
  Li  Li1  1  0.334  0.011  0.750  1.0
  Li  Li2  1  0.666  0.989  0.250  1.0
  Li  Li3  1  0.989  0.666  0.250  1.0
  Mg  Mg4  1  0.671  0.671  0.750  1.0
  Mg  Mg5  1  0.329  0.329  0.250  1.0
[/CIF]
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The material structure described by MgLi2 crystallizes in the orthorhombic Cmcm space group. Li(1) is bonded to seven equivalent Li(1) and five equivalent Mg(1) atoms to form distorted LiLi7Mg5 cuboctahedra that share corners with nine equivalent Li(1)Li7Mg5 cuboctahedra, corners with nine equivalent Mg(1)Li10Mg2 cuboctahedra, edges with four equivalent Mg(1)Li10Mg2 cuboctahedra, edges with fourteen equivalent Li(1)Li7Mg5 cuboctahedra, faces with seven equivalent Mg(1)Li10Mg2 cuboctahedra, and faces with thirteen equivalent Li(1)Li7Mg5 cuboctahedra. Mg(1) is bonded to ten equivalent Li(1) and two equivalent Mg(1) atoms to form distorted MgLi10Mg2 cuboctahedra that share corners with eighteen equivalent Li(1)Li7Mg5 cuboctahedra, edges with eight equivalent Li(1)Li7Mg5 cuboctahedra, edges with ten equivalent Mg(1)Li10Mg2 cuboctahedra, faces with six equivalent Mg(1)Li10Mg2 cuboctahedra, and faces with fourteen equivalent Li(1)Li7Mg5 cuboctahedra. is represented by the CIF card [CIF]
data_Li2Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.299
_cell_length_b   5.299
_cell_length_c   5.071
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.505
_symmetry_Int_Tables_number   1
_cell_volume   122.687
_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  0.011  0.334  0.750  1.0
  Li  Li1  1  0.334  0.011  0.750  1.0
  Li  Li2  1  0.666  0.989  0.250  1.0
  Li  Li3  1  0.989  0.666  0.250  1.0
  Mg  Mg4  1  0.671  0.671  0.750  1.0
  Mg  Mg5  1  0.329  0.329  0.250  1.0
[/CIF]
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