The compound described by LiMg crystallizes in the orthorhombic Amm2 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent Li(1), two equivalent Li(2), two equivalent Li(3), two equivalent Mg(1), and four equivalent Mg(2) atoms to form distorted LiLi6Mg6 cuboctahedra that share corners with six equivalent Li(1)Li6Mg6 cuboctahedra, corners with six equivalent Li(2)Li8Mg4 cuboctahedra, corners with six equivalent Mg(1)Li4Mg8 cuboctahedra, edges with three equivalent Li(2)Li8Mg4 cuboctahedra, edges with three equivalent Mg(1)Li4Mg8 cuboctahedra, edges with four equivalent Mg(2)Li6Mg6 cuboctahedra, edges with eight equivalent Mg(3)Li4Mg8 cuboctahedra, faces with two equivalent Li(2)Li8Mg4 cuboctahedra, faces with two equivalent Mg(1)Li4Mg8 cuboctahedra, faces with two equivalent Mg(3)Li4Mg8 cuboctahedra, faces with four equivalent Li(1)Li6Mg6 cuboctahedra, and faces with four equivalent Mg(2)Li6Mg6 cuboctahedra. In the second Li site, Li(2) is bonded to two equivalent Li(1), two equivalent Li(2), four equivalent Li(3), two equivalent Mg(1), and two equivalent Mg(3) atoms to form distorted LiLi8Mg4 cuboctahedra that share corners with six equivalent Li(1)Li6Mg6 cuboctahedra, corners with six equivalent Li(2)Li8Mg4 cuboctahedra, corners with six equivalent Mg(1)Li4Mg8 cuboctahedra, edges with three equivalent Li(1)Li6Mg6 cuboctahedra, edges with three equivalent Mg(1)Li4Mg8 cuboctahedra, edges with eight equivalent Mg(2)Li6Mg6 cuboctahedra, faces with two equivalent Li(1)Li6Mg6 cuboctahedra, faces with two equivalent Mg(1)Li4Mg8 cuboctahedra, faces with two equivalent Mg(2)Li6Mg6 cuboctahedra, faces with four equivalent Li(2)Li8Mg4 cuboctahedra, and faces with six equivalent Mg(3)Li4Mg8 cuboctahedra. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to two equivalent Li(1), four equivalent Li(2), two equivalent Mg(2), and two equivalent Mg(3) atoms. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Li(1), two equivalent Li(2), two equivalent Mg(1), two equivalent Mg(2), and four equivalent Mg(3) atoms to form distorted MgLi4Mg8 cuboctahedra that share corners with six equivalent Li(1)Li6Mg6 cuboctahedra, corners with six equivalent Li(2)Li8Mg4 cuboctahedra, corners with six equivalent Mg(1)Li4Mg8 cuboctahedra, edges with three equivalent Li(1)Li6Mg6 cuboctahedra, edges with three equivalent Li(2)Li8Mg4 cuboctahedra, edges with four equivalent Mg(3)Li4Mg8 cuboctahedra, faces with two equivalent Li(1)Li6Mg6 cuboctahedra, faces with two equivalent Li(2)Li8Mg4 cuboctahedra, faces with four equivalent Mg(1)Li4Mg8 cuboctahedra, faces with four equivalent Mg(3)Li4Mg8 cuboctahedra, and faces with six equivalent Mg(2)Li6Mg6 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Li(3), four equivalent Li(1), two equivalent Mg(1), two equivalent Mg(2), and two equivalent Mg(3) atoms to form distorted MgLi6Mg6 cuboctahedra that share corners with six equivalent Mg(3)Li4Mg8 cuboctahedra, corners with six equivalent Mg(2)Li6Mg6 cuboctahedra, edges with three equivalent Mg(3)Li4Mg8 cuboctahedra, edges with four equivalent Li(1)Li6Mg6 cuboctahedra, edges with eight equivalent Li(2)Li8Mg4 cuboctahedra, faces with two equivalent Li(2)Li8Mg4 cuboctahedra, faces with two equivalent Mg(3)Li4Mg8 cuboctahedra, faces with four equivalent Li(1)Li6Mg6 cuboctahedra, faces with four equivalent Mg(2)Li6Mg6 cuboctahedra, and faces with six equivalent Mg(1)Li4Mg8 cuboctahedra. In the third Mg site, Mg(3) is bonded to two equivalent Li(2), two equivalent Li(3), two equivalent Mg(2), two equivalent Mg(3), and four equivalent Mg(1) atoms to form distorted MgLi4Mg8 cuboctahedra that share corners with six equivalent Mg(3)Li4Mg8 cuboctahedra, corners with six equivalent Mg(2)Li6Mg6 cuboctahedra, edges with three equivalent Mg(2)Li6Mg6 cuboctahedra, edges with four equivalent Mg(1)Li4Mg8 cuboctahedra, edges with eight equivalent Li(1)Li6Mg6 cuboctahedra, faces with two equivalent Li(1)Li6Mg6 cuboctahedra, faces with two equivalent Mg(2)Li6Mg6 cuboctahedra, faces with four equivalent Mg(1)Li4Mg8 cuboctahedra, faces with four equivalent Mg(3)Li4Mg8 cuboctahedra, and faces with six equivalent Li(2)Li8Mg4 cuboctahedra. is represented by the CIF card [CIF]
data_LiMg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.108
_cell_length_b   8.108
_cell_length_c   5.036
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   157.241
_symmetry_Int_Tables_number   1
_cell_volume   128.079
_cell_formula_units_Z   3
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  0.999  0.001  0.000  1.0
  Li  Li1  1  0.665  0.335  0.000  1.0
  Li  Li2  1  0.112  0.888  0.500  1.0
  Mg  Mg3  1  0.332  0.668  0.000  1.0
  Mg  Mg4  1  0.450  0.550  0.500  1.0
  Mg  Mg5  1  0.775  0.225  0.500  1.0
[/CIF]
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The compound described by LiMg crystallizes in the orthorhombic Amm2 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent Li(1), two equivalent Li(2), two equivalent Li(3), two equivalent Mg(1), and four equivalent Mg(2) atoms to form distorted LiLi6Mg6 cuboctahedra that share corners with six equivalent Li(1)Li6Mg6 cuboctahedra, corners with six equivalent Li(2)Li8Mg4 cuboctahedra, corners with six equivalent Mg(1)Li4Mg8 cuboctahedra, edges with three equivalent Li(2)Li8Mg4 cuboctahedra, edges with three equivalent Mg(1)Li4Mg8 cuboctahedra, edges with four equivalent Mg(2)Li6Mg6 cuboctahedra, edges with eight equivalent Mg(3)Li4Mg8 cuboctahedra, faces with two equivalent Li(2)Li8Mg4 cuboctahedra, faces with two equivalent Mg(1)Li4Mg8 cuboctahedra, faces with two equivalent Mg(3)Li4Mg8 cuboctahedra, faces with four equivalent Li(1)Li6Mg6 cuboctahedra, and faces with four equivalent Mg(2)Li6Mg6 cuboctahedra. In the second Li site, Li(2) is bonded to two equivalent Li(1), two equivalent Li(2), four equivalent Li(3), two equivalent Mg(1), and two equivalent Mg(3) atoms to form distorted LiLi8Mg4 cuboctahedra that share corners with six equivalent Li(1)Li6Mg6 cuboctahedra, corners with six equivalent Li(2)Li8Mg4 cuboctahedra, corners with six equivalent Mg(1)Li4Mg8 cuboctahedra, edges with three equivalent Li(1)Li6Mg6 cuboctahedra, edges with three equivalent Mg(1)Li4Mg8 cuboctahedra, edges with eight equivalent Mg(2)Li6Mg6 cuboctahedra, faces with two equivalent Li(1)Li6Mg6 cuboctahedra, faces with two equivalent Mg(1)Li4Mg8 cuboctahedra, faces with two equivalent Mg(2)Li6Mg6 cuboctahedra, faces with four equivalent Li(2)Li8Mg4 cuboctahedra, and faces with six equivalent Mg(3)Li4Mg8 cuboctahedra. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to two equivalent Li(1), four equivalent Li(2), two equivalent Mg(2), and two equivalent Mg(3) atoms. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Li(1), two equivalent Li(2), two equivalent Mg(1), two equivalent Mg(2), and four equivalent Mg(3) atoms to form distorted MgLi4Mg8 cuboctahedra that share corners with six equivalent Li(1)Li6Mg6 cuboctahedra, corners with six equivalent Li(2)Li8Mg4 cuboctahedra, corners with six equivalent Mg(1)Li4Mg8 cuboctahedra, edges with three equivalent Li(1)Li6Mg6 cuboctahedra, edges with three equivalent Li(2)Li8Mg4 cuboctahedra, edges with four equivalent Mg(3)Li4Mg8 cuboctahedra, faces with two equivalent Li(1)Li6Mg6 cuboctahedra, faces with two equivalent Li(2)Li8Mg4 cuboctahedra, faces with four equivalent Mg(1)Li4Mg8 cuboctahedra, faces with four equivalent Mg(3)Li4Mg8 cuboctahedra, and faces with six equivalent Mg(2)Li6Mg6 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Li(3), four equivalent Li(1), two equivalent Mg(1), two equivalent Mg(2), and two equivalent Mg(3) atoms to form distorted MgLi6Mg6 cuboctahedra that share corners with six equivalent Mg(3)Li4Mg8 cuboctahedra, corners with six equivalent Mg(2)Li6Mg6 cuboctahedra, edges with three equivalent Mg(3)Li4Mg8 cuboctahedra, edges with four equivalent Li(1)Li6Mg6 cuboctahedra, edges with eight equivalent Li(2)Li8Mg4 cuboctahedra, faces with two equivalent Li(2)Li8Mg4 cuboctahedra, faces with two equivalent Mg(3)Li4Mg8 cuboctahedra, faces with four equivalent Li(1)Li6Mg6 cuboctahedra, faces with four equivalent Mg(2)Li6Mg6 cuboctahedra, and faces with six equivalent Mg(1)Li4Mg8 cuboctahedra. In the third Mg site, Mg(3) is bonded to two equivalent Li(2), two equivalent Li(3), two equivalent Mg(2), two equivalent Mg(3), and four equivalent Mg(1) atoms to form distorted MgLi4Mg8 cuboctahedra that share corners with six equivalent Mg(3)Li4Mg8 cuboctahedra, corners with six equivalent Mg(2)Li6Mg6 cuboctahedra, edges with three equivalent Mg(2)Li6Mg6 cuboctahedra, edges with four equivalent Mg(1)Li4Mg8 cuboctahedra, edges with eight equivalent Li(1)Li6Mg6 cuboctahedra, faces with two equivalent Li(1)Li6Mg6 cuboctahedra, faces with two equivalent Mg(2)Li6Mg6 cuboctahedra, faces with four equivalent Mg(1)Li4Mg8 cuboctahedra, faces with four equivalent Mg(3)Li4Mg8 cuboctahedra, and faces with six equivalent Li(2)Li8Mg4 cuboctahedra. is represented by the CIF card [CIF]
data_LiMg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.108
_cell_length_b   8.108
_cell_length_c   5.036
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   157.241
_symmetry_Int_Tables_number   1
_cell_volume   128.079
_cell_formula_units_Z   3
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  0.999  0.001  0.000  1.0
  Li  Li1  1  0.665  0.335  0.000  1.0
  Li  Li2  1  0.112  0.888  0.500  1.0
  Mg  Mg3  1  0.332  0.668  0.000  1.0
  Mg  Mg4  1  0.450  0.550  0.500  1.0
  Mg  Mg5  1  0.775  0.225  0.500  1.0
[/CIF]
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