The material structure described by LiMg5 crystallizes in the monoclinic Cm space group. Li(1) is bonded to two equivalent Li(1), one Mg(4), two equivalent Mg(1), two equivalent Mg(3), two equivalent Mg(5), and three equivalent Mg(2) atoms to form distorted LiLi2Mg10 cuboctahedra that share corners with six equivalent Li(1)Li2Mg10 cuboctahedra, corners with six equivalent Mg(3)Li2Mg10 cuboctahedra, corners with six equivalent Mg(5)Li2Mg10 cuboctahedra, edges with two equivalent Mg(2)Li3Mg9 cuboctahedra, edges with three equivalent Mg(3)Li2Mg10 cuboctahedra, edges with three equivalent Mg(5)Li2Mg10 cuboctahedra, edges with four equivalent Mg(4)LiMg11 cuboctahedra, edges with six equivalent Mg(1)Li2Mg10 cuboctahedra, faces with two equivalent Li(1)Li2Mg10 cuboctahedra, faces with three equivalent Mg(1)Li2Mg10 cuboctahedra, faces with three equivalent Mg(3)Li2Mg10 cuboctahedra, faces with three equivalent Mg(5)Li2Mg10 cuboctahedra, faces with four equivalent Mg(4)LiMg11 cuboctahedra, and faces with five equivalent Mg(2)Li3Mg9 cuboctahedra. There are five inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Li(1), one Mg(3), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), and three equivalent Mg(5) atoms to form distorted MgLi2Mg10 cuboctahedra that share corners with six equivalent Mg(1)Li2Mg10 cuboctahedra, corners with six equivalent Mg(2)Li3Mg9 cuboctahedra, corners with six equivalent Mg(4)LiMg11 cuboctahedra, edges with two equivalent Mg(5)Li2Mg10 cuboctahedra, edges with three equivalent Mg(2)Li3Mg9 cuboctahedra, edges with three equivalent Mg(4)LiMg11 cuboctahedra, edges with four equivalent Mg(3)Li2Mg10 cuboctahedra, edges with six equivalent Li(1)Li2Mg10 cuboctahedra, faces with two equivalent Mg(1)Li2Mg10 cuboctahedra, faces with three equivalent Li(1)Li2Mg10 cuboctahedra, faces with three equivalent Mg(2)Li3Mg9 cuboctahedra, faces with three equivalent Mg(4)LiMg11 cuboctahedra, faces with four equivalent Mg(3)Li2Mg10 cuboctahedra, and faces with five equivalent Mg(5)Li2Mg10 cuboctahedra. In the second Mg site, Mg(2) is bonded to three equivalent Li(1), one Mg(5), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), and two equivalent Mg(4) atoms to form distorted MgLi3Mg9 cuboctahedra that share corners with six equivalent Mg(1)Li2Mg10 cuboctahedra, corners with six equivalent Mg(2)Li3Mg9 cuboctahedra, corners with six equivalent Mg(4)LiMg11 cuboctahedra, edges with two equivalent Li(1)Li2Mg10 cuboctahedra, edges with three equivalent Mg(1)Li2Mg10 cuboctahedra, edges with three equivalent Mg(4)LiMg11 cuboctahedra, edges with four equivalent Mg(5)Li2Mg10 cuboctahedra, edges with six equivalent Mg(3)Li2Mg10 cuboctahedra, faces with two equivalent Mg(2)Li3Mg9 cuboctahedra, faces with three equivalent Mg(1)Li2Mg10 cuboctahedra, faces with three equivalent Mg(3)Li2Mg10 cuboctahedra, faces with three equivalent Mg(4)LiMg11 cuboctahedra, faces with four equivalent Mg(5)Li2Mg10 cuboctahedra, and faces with five equivalent Li(1)Li2Mg10 cuboctahedra. In the third Mg site, Mg(3) is bonded to two equivalent Li(1), one Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(5), and three equivalent Mg(4) atoms to form distorted MgLi2Mg10 cuboctahedra that share corners with six equivalent Li(1)Li2Mg10 cuboctahedra, corners with six equivalent Mg(3)Li2Mg10 cuboctahedra, corners with six equivalent Mg(5)Li2Mg10 cuboctahedra, edges with two equivalent Mg(4)LiMg11 cuboctahedra, edges with three equivalent Li(1)Li2Mg10 cuboctahedra, edges with three equivalent Mg(5)Li2Mg10 cuboctahedra, edges with four equivalent Mg(1)Li2Mg10 cuboctahedra, edges with six equivalent Mg(2)Li3Mg9 cuboctahedra, faces with two equivalent Mg(3)Li2Mg10 cuboctahedra, faces with three equivalent Li(1)Li2Mg10 cuboctahedra, faces with three equivalent Mg(5)Li2Mg10 cuboctahedra, faces with three equivalent Mg(2)Li3Mg9 cuboctahedra, faces with four equivalent Mg(1)Li2Mg10 cuboctahedra, and faces with five equivalent Mg(4)LiMg11 cuboctahedra. In the fourth Mg site, Mg(4) is bonded to one Li(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), two equivalent Mg(5), and three equivalent Mg(3) atoms to form distorted MgLiMg11 cuboctahedra that share corners with six equivalent Mg(1)Li2Mg10 cuboctahedra, corners with six equivalent Mg(2)Li3Mg9 cuboctahedra, corners with six equivalent Mg(4)LiMg11 cuboctahedra, edges with two equivalent Mg(3)Li2Mg10 cuboctahedra, edges with three equivalent Mg(1)Li2Mg10 cuboctahedra, edges with three equivalent Mg(2)Li3Mg9 cuboctahedra, edges with four equivalent Li(1)Li2Mg10 cuboctahedra, edges with six equivalent Mg(5)Li2Mg10 cuboctahedra, faces with two equivalent Mg(4)LiMg11 cuboctahedra, faces with three equivalent Mg(1)Li2Mg10 cuboctahedra, faces with three equivalent Mg(5)Li2Mg10 cuboctahedra, faces with three equivalent Mg(2)Li3Mg9 cuboctahedra, faces with four equivalent Li(1)Li2Mg10 cuboctahedra, and faces with five equivalent Mg(3)Li2Mg10 cuboctahedra. In the fifth Mg site, Mg(5) is bonded to two equivalent Li(1), one Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mg(5), and three equivalent Mg(1) atoms to form MgLi2Mg10 cuboctahedra that share corners with six equivalent Li(1)Li2Mg10 cuboctahedra, corners with six equivalent Mg(3)Li2Mg10 cuboctahedra, corners with six equivalent Mg(5)Li2Mg10 cuboctahedra, edges with two equivalent Mg(1)Li2Mg10 cuboctahedra, edges with three equivalent Li(1)Li2Mg10 cuboctahedra, edges with three equivalent Mg(3)Li2Mg10 cuboctahedra, edges with four equivalent Mg(2)Li3Mg9 cuboctahedra, edges with six equivalent Mg(4)LiMg11 cuboctahedra, faces with two equivalent Mg(5)Li2Mg10 cuboctahedra, faces with three equivalent Li(1)Li2Mg10 cuboctahedra, faces with three equivalent Mg(3)Li2Mg10 cuboctahedra, faces with three equivalent Mg(4)LiMg11 cuboctahedra, faces with four equivalent Mg(2)Li3Mg9 cuboctahedra, and faces with five equivalent Mg(1)Li2Mg10 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMg5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.972
_cell_length_b   5.972
_cell_length_c   7.479
_cell_angle_alpha   75.972
_cell_angle_beta   75.972
_cell_angle_gamma   30.605
_symmetry_Int_Tables_number   1
_cell_volume   131.456
_cell_formula_units_Z   1
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  0.611  0.279  1.0
  Mg  Mg1  1  0.002  0.002  0.005  1.0
  Mg  Mg2  1  0.331  0.331  0.332  1.0
  Mg  Mg3  1  0.946  0.946  0.606  1.0
  Mg  Mg4  1  0.666  0.666  0.665  1.0
  Mg  Mg5  1  0.277  0.277  0.947  1.0
[/CIF]
.
The material structure described by LiMg5 crystallizes in the monoclinic Cm space group. Li(1) is bonded to two equivalent Li(1), one Mg(4), two equivalent Mg(1), two equivalent Mg(3), two equivalent Mg(5), and three equivalent Mg(2) atoms to form distorted LiLi2Mg10 cuboctahedra that share corners with six equivalent Li(1)Li2Mg10 cuboctahedra, corners with six equivalent Mg(3)Li2Mg10 cuboctahedra, corners with six equivalent Mg(5)Li2Mg10 cuboctahedra, edges with two equivalent Mg(2)Li3Mg9 cuboctahedra, edges with three equivalent Mg(3)Li2Mg10 cuboctahedra, edges with three equivalent Mg(5)Li2Mg10 cuboctahedra, edges with four equivalent Mg(4)LiMg11 cuboctahedra, edges with six equivalent Mg(1)Li2Mg10 cuboctahedra, faces with two equivalent Li(1)Li2Mg10 cuboctahedra, faces with three equivalent Mg(1)Li2Mg10 cuboctahedra, faces with three equivalent Mg(3)Li2Mg10 cuboctahedra, faces with three equivalent Mg(5)Li2Mg10 cuboctahedra, faces with four equivalent Mg(4)LiMg11 cuboctahedra, and faces with five equivalent Mg(2)Li3Mg9 cuboctahedra. There are five inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Li(1), one Mg(3), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), and three equivalent Mg(5) atoms to form distorted MgLi2Mg10 cuboctahedra that share corners with six equivalent Mg(1)Li2Mg10 cuboctahedra, corners with six equivalent Mg(2)Li3Mg9 cuboctahedra, corners with six equivalent Mg(4)LiMg11 cuboctahedra, edges with two equivalent Mg(5)Li2Mg10 cuboctahedra, edges with three equivalent Mg(2)Li3Mg9 cuboctahedra, edges with three equivalent Mg(4)LiMg11 cuboctahedra, edges with four equivalent Mg(3)Li2Mg10 cuboctahedra, edges with six equivalent Li(1)Li2Mg10 cuboctahedra, faces with two equivalent Mg(1)Li2Mg10 cuboctahedra, faces with three equivalent Li(1)Li2Mg10 cuboctahedra, faces with three equivalent Mg(2)Li3Mg9 cuboctahedra, faces with three equivalent Mg(4)LiMg11 cuboctahedra, faces with four equivalent Mg(3)Li2Mg10 cuboctahedra, and faces with five equivalent Mg(5)Li2Mg10 cuboctahedra. In the second Mg site, Mg(2) is bonded to three equivalent Li(1), one Mg(5), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), and two equivalent Mg(4) atoms to form distorted MgLi3Mg9 cuboctahedra that share corners with six equivalent Mg(1)Li2Mg10 cuboctahedra, corners with six equivalent Mg(2)Li3Mg9 cuboctahedra, corners with six equivalent Mg(4)LiMg11 cuboctahedra, edges with two equivalent Li(1)Li2Mg10 cuboctahedra, edges with three equivalent Mg(1)Li2Mg10 cuboctahedra, edges with three equivalent Mg(4)LiMg11 cuboctahedra, edges with four equivalent Mg(5)Li2Mg10 cuboctahedra, edges with six equivalent Mg(3)Li2Mg10 cuboctahedra, faces with two equivalent Mg(2)Li3Mg9 cuboctahedra, faces with three equivalent Mg(1)Li2Mg10 cuboctahedra, faces with three equivalent Mg(3)Li2Mg10 cuboctahedra, faces with three equivalent Mg(4)LiMg11 cuboctahedra, faces with four equivalent Mg(5)Li2Mg10 cuboctahedra, and faces with five equivalent Li(1)Li2Mg10 cuboctahedra. In the third Mg site, Mg(3) is bonded to two equivalent Li(1), one Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(5), and three equivalent Mg(4) atoms to form distorted MgLi2Mg10 cuboctahedra that share corners with six equivalent Li(1)Li2Mg10 cuboctahedra, corners with six equivalent Mg(3)Li2Mg10 cuboctahedra, corners with six equivalent Mg(5)Li2Mg10 cuboctahedra, edges with two equivalent Mg(4)LiMg11 cuboctahedra, edges with three equivalent Li(1)Li2Mg10 cuboctahedra, edges with three equivalent Mg(5)Li2Mg10 cuboctahedra, edges with four equivalent Mg(1)Li2Mg10 cuboctahedra, edges with six equivalent Mg(2)Li3Mg9 cuboctahedra, faces with two equivalent Mg(3)Li2Mg10 cuboctahedra, faces with three equivalent Li(1)Li2Mg10 cuboctahedra, faces with three equivalent Mg(5)Li2Mg10 cuboctahedra, faces with three equivalent Mg(2)Li3Mg9 cuboctahedra, faces with four equivalent Mg(1)Li2Mg10 cuboctahedra, and faces with five equivalent Mg(4)LiMg11 cuboctahedra. In the fourth Mg site, Mg(4) is bonded to one Li(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), two equivalent Mg(5), and three equivalent Mg(3) atoms to form distorted MgLiMg11 cuboctahedra that share corners with six equivalent Mg(1)Li2Mg10 cuboctahedra, corners with six equivalent Mg(2)Li3Mg9 cuboctahedra, corners with six equivalent Mg(4)LiMg11 cuboctahedra, edges with two equivalent Mg(3)Li2Mg10 cuboctahedra, edges with three equivalent Mg(1)Li2Mg10 cuboctahedra, edges with three equivalent Mg(2)Li3Mg9 cuboctahedra, edges with four equivalent Li(1)Li2Mg10 cuboctahedra, edges with six equivalent Mg(5)Li2Mg10 cuboctahedra, faces with two equivalent Mg(4)LiMg11 cuboctahedra, faces with three equivalent Mg(1)Li2Mg10 cuboctahedra, faces with three equivalent Mg(5)Li2Mg10 cuboctahedra, faces with three equivalent Mg(2)Li3Mg9 cuboctahedra, faces with four equivalent Li(1)Li2Mg10 cuboctahedra, and faces with five equivalent Mg(3)Li2Mg10 cuboctahedra. In the fifth Mg site, Mg(5) is bonded to two equivalent Li(1), one Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mg(5), and three equivalent Mg(1) atoms to form MgLi2Mg10 cuboctahedra that share corners with six equivalent Li(1)Li2Mg10 cuboctahedra, corners with six equivalent Mg(3)Li2Mg10 cuboctahedra, corners with six equivalent Mg(5)Li2Mg10 cuboctahedra, edges with two equivalent Mg(1)Li2Mg10 cuboctahedra, edges with three equivalent Li(1)Li2Mg10 cuboctahedra, edges with three equivalent Mg(3)Li2Mg10 cuboctahedra, edges with four equivalent Mg(2)Li3Mg9 cuboctahedra, edges with six equivalent Mg(4)LiMg11 cuboctahedra, faces with two equivalent Mg(5)Li2Mg10 cuboctahedra, faces with three equivalent Li(1)Li2Mg10 cuboctahedra, faces with three equivalent Mg(3)Li2Mg10 cuboctahedra, faces with three equivalent Mg(4)LiMg11 cuboctahedra, faces with four equivalent Mg(2)Li3Mg9 cuboctahedra, and faces with five equivalent Mg(1)Li2Mg10 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMg5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.972
_cell_length_b   5.972
_cell_length_c   7.479
_cell_angle_alpha   75.972
_cell_angle_beta   75.972
_cell_angle_gamma   30.605
_symmetry_Int_Tables_number   1
_cell_volume   131.456
_cell_formula_units_Z   1
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  0.611  0.279  1.0
  Mg  Mg1  1  0.002  0.002  0.005  1.0
  Mg  Mg2  1  0.331  0.331  0.332  1.0
  Mg  Mg3  1  0.946  0.946  0.606  1.0
  Mg  Mg4  1  0.666  0.666  0.665  1.0
  Mg  Mg5  1  0.277  0.277  0.947  1.0
[/CIF]
.