The material structure described by LiMg6La crystallizes in the orthorhombic Amm2 space group. Li(1) is bonded to two equivalent Mg(3), four equivalent Mg(1), four equivalent Mg(2), and two equivalent La(1) atoms to form distorted LiLa2Mg10 cuboctahedra that share corners with four equivalent La(1)Li2Mg10 cuboctahedra, corners with six equivalent Li(1)La2Mg10 cuboctahedra, corners with eight equivalent Mg(1)Li2La2Mg8 cuboctahedra, edges with two equivalent La(1)Li2Mg10 cuboctahedra, edges with four equivalent Mg(1)Li2La2Mg8 cuboctahedra, edges with four equivalent Mg(3)Li2Mg10 cuboctahedra, faces with two equivalent Li(1)La2Mg10 cuboctahedra, faces with two equivalent Mg(3)Li2Mg10 cuboctahedra, faces with two equivalent La(1)Li2Mg10 cuboctahedra, faces with four equivalent Mg(1)Li2La2Mg8 cuboctahedra, and faces with six equivalent Mg(4)La2Mg10 cuboctahedra. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Li(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent La(1) atoms to form distorted MgLi2La2Mg8 cuboctahedra that share corners with four equivalent Li(1)La2Mg10 cuboctahedra, corners with four equivalent La(1)Li2Mg10 cuboctahedra, corners with ten equivalent Mg(1)Li2La2Mg8 cuboctahedra, edges with two equivalent Li(1)La2Mg10 cuboctahedra, edges with two equivalent Mg(1)Li2La2Mg8 cuboctahedra, edges with two equivalent La(1)Li2Mg10 cuboctahedra, edges with four equivalent Mg(4)La2Mg10 cuboctahedra, edges with four equivalent Mg(3)Li2Mg10 cuboctahedra, faces with two equivalent Li(1)La2Mg10 cuboctahedra, faces with two equivalent Mg(4)La2Mg10 cuboctahedra, faces with two equivalent Mg(3)Li2Mg10 cuboctahedra, faces with two equivalent La(1)Li2Mg10 cuboctahedra, and faces with four equivalent Mg(1)Li2La2Mg8 cuboctahedra. In the second Mg site, Mg(2) is bonded in a 12-coordinate geometry to two equivalent Li(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent La(1) atoms. In the third Mg site, Mg(3) is bonded to two equivalent Li(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(2) atoms to form distorted MgLi2Mg10 cuboctahedra that share corners with four equivalent Mg(4)La2Mg10 cuboctahedra, corners with six equivalent Mg(3)Li2Mg10 cuboctahedra, edges with two equivalent Mg(4)La2Mg10 cuboctahedra, edges with four equivalent Li(1)La2Mg10 cuboctahedra, edges with eight equivalent Mg(1)Li2La2Mg8 cuboctahedra, faces with two equivalent Li(1)La2Mg10 cuboctahedra, faces with two equivalent Mg(4)La2Mg10 cuboctahedra, faces with two equivalent Mg(3)Li2Mg10 cuboctahedra, faces with four equivalent Mg(1)Li2La2Mg8 cuboctahedra, and faces with six equivalent La(1)Li2Mg10 cuboctahedra. In the fourth Mg site, Mg(4) is bonded to two equivalent Mg(3), four equivalent Mg(1), four equivalent Mg(2), and two equivalent La(1) atoms to form distorted MgLa2Mg10 cuboctahedra that share corners with four equivalent Mg(3)Li2Mg10 cuboctahedra, corners with six equivalent Mg(4)La2Mg10 cuboctahedra, edges with two equivalent Mg(3)Li2Mg10 cuboctahedra, edges with four equivalent La(1)Li2Mg10 cuboctahedra, edges with eight equivalent Mg(1)Li2La2Mg8 cuboctahedra, faces with two equivalent Mg(4)La2Mg10 cuboctahedra, faces with two equivalent Mg(3)Li2Mg10 cuboctahedra, faces with two equivalent La(1)Li2Mg10 cuboctahedra, faces with four equivalent Mg(1)Li2La2Mg8 cuboctahedra, and faces with six equivalent Li(1)La2Mg10 cuboctahedra. La(1) is bonded to two equivalent Li(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(2) atoms to form LaLi2Mg10 cuboctahedra that share corners with four equivalent Li(1)La2Mg10 cuboctahedra, corners with six equivalent La(1)Li2Mg10 cuboctahedra, corners with eight equivalent Mg(1)Li2La2Mg8 cuboctahedra, edges with two equivalent Li(1)La2Mg10 cuboctahedra, edges with four equivalent Mg(4)La2Mg10 cuboctahedra, edges with four equivalent Mg(1)Li2La2Mg8 cuboctahedra, faces with two equivalent Li(1)La2Mg10 cuboctahedra, faces with two equivalent Mg(4)La2Mg10 cuboctahedra, faces with two equivalent La(1)Li2Mg10 cuboctahedra, faces with four equivalent Mg(1)Li2La2Mg8 cuboctahedra, and faces with six equivalent Mg(3)Li2Mg10 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiLaMg6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.203
_cell_length_b   6.700
_cell_length_c   6.722
_cell_angle_alpha   119.894
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   203.145
_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
  La  La0  1  0.500  0.666  0.332  1.0
  Li  Li1  1  0.500  0.163  0.327  1.0
  Mg  Mg2  1  0.500  0.677  0.839  1.0
  Mg  Mg3  1  0.500  0.162  0.839  1.0
  Mg  Mg4  1  0.000  0.842  0.161  1.0
  Mg  Mg5  1  1.000  0.319  0.161  1.0
  Mg  Mg6  1  0.000  0.332  0.664  1.0
  Mg  Mg7  1  0.000  0.839  0.677  1.0
[/CIF]
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The material structure described by LiMg6La crystallizes in the orthorhombic Amm2 space group. Li(1) is bonded to two equivalent Mg(3), four equivalent Mg(1), four equivalent Mg(2), and two equivalent La(1) atoms to form distorted LiLa2Mg10 cuboctahedra that share corners with four equivalent La(1)Li2Mg10 cuboctahedra, corners with six equivalent Li(1)La2Mg10 cuboctahedra, corners with eight equivalent Mg(1)Li2La2Mg8 cuboctahedra, edges with two equivalent La(1)Li2Mg10 cuboctahedra, edges with four equivalent Mg(1)Li2La2Mg8 cuboctahedra, edges with four equivalent Mg(3)Li2Mg10 cuboctahedra, faces with two equivalent Li(1)La2Mg10 cuboctahedra, faces with two equivalent Mg(3)Li2Mg10 cuboctahedra, faces with two equivalent La(1)Li2Mg10 cuboctahedra, faces with four equivalent Mg(1)Li2La2Mg8 cuboctahedra, and faces with six equivalent Mg(4)La2Mg10 cuboctahedra. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Li(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent La(1) atoms to form distorted MgLi2La2Mg8 cuboctahedra that share corners with four equivalent Li(1)La2Mg10 cuboctahedra, corners with four equivalent La(1)Li2Mg10 cuboctahedra, corners with ten equivalent Mg(1)Li2La2Mg8 cuboctahedra, edges with two equivalent Li(1)La2Mg10 cuboctahedra, edges with two equivalent Mg(1)Li2La2Mg8 cuboctahedra, edges with two equivalent La(1)Li2Mg10 cuboctahedra, edges with four equivalent Mg(4)La2Mg10 cuboctahedra, edges with four equivalent Mg(3)Li2Mg10 cuboctahedra, faces with two equivalent Li(1)La2Mg10 cuboctahedra, faces with two equivalent Mg(4)La2Mg10 cuboctahedra, faces with two equivalent Mg(3)Li2Mg10 cuboctahedra, faces with two equivalent La(1)Li2Mg10 cuboctahedra, and faces with four equivalent Mg(1)Li2La2Mg8 cuboctahedra. In the second Mg site, Mg(2) is bonded in a 12-coordinate geometry to two equivalent Li(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent La(1) atoms. In the third Mg site, Mg(3) is bonded to two equivalent Li(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(2) atoms to form distorted MgLi2Mg10 cuboctahedra that share corners with four equivalent Mg(4)La2Mg10 cuboctahedra, corners with six equivalent Mg(3)Li2Mg10 cuboctahedra, edges with two equivalent Mg(4)La2Mg10 cuboctahedra, edges with four equivalent Li(1)La2Mg10 cuboctahedra, edges with eight equivalent Mg(1)Li2La2Mg8 cuboctahedra, faces with two equivalent Li(1)La2Mg10 cuboctahedra, faces with two equivalent Mg(4)La2Mg10 cuboctahedra, faces with two equivalent Mg(3)Li2Mg10 cuboctahedra, faces with four equivalent Mg(1)Li2La2Mg8 cuboctahedra, and faces with six equivalent La(1)Li2Mg10 cuboctahedra. In the fourth Mg site, Mg(4) is bonded to two equivalent Mg(3), four equivalent Mg(1), four equivalent Mg(2), and two equivalent La(1) atoms to form distorted MgLa2Mg10 cuboctahedra that share corners with four equivalent Mg(3)Li2Mg10 cuboctahedra, corners with six equivalent Mg(4)La2Mg10 cuboctahedra, edges with two equivalent Mg(3)Li2Mg10 cuboctahedra, edges with four equivalent La(1)Li2Mg10 cuboctahedra, edges with eight equivalent Mg(1)Li2La2Mg8 cuboctahedra, faces with two equivalent Mg(4)La2Mg10 cuboctahedra, faces with two equivalent Mg(3)Li2Mg10 cuboctahedra, faces with two equivalent La(1)Li2Mg10 cuboctahedra, faces with four equivalent Mg(1)Li2La2Mg8 cuboctahedra, and faces with six equivalent Li(1)La2Mg10 cuboctahedra. La(1) is bonded to two equivalent Li(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(2) atoms to form LaLi2Mg10 cuboctahedra that share corners with four equivalent Li(1)La2Mg10 cuboctahedra, corners with six equivalent La(1)Li2Mg10 cuboctahedra, corners with eight equivalent Mg(1)Li2La2Mg8 cuboctahedra, edges with two equivalent Li(1)La2Mg10 cuboctahedra, edges with four equivalent Mg(4)La2Mg10 cuboctahedra, edges with four equivalent Mg(1)Li2La2Mg8 cuboctahedra, faces with two equivalent Li(1)La2Mg10 cuboctahedra, faces with two equivalent Mg(4)La2Mg10 cuboctahedra, faces with two equivalent La(1)Li2Mg10 cuboctahedra, faces with four equivalent Mg(1)Li2La2Mg8 cuboctahedra, and faces with six equivalent Mg(3)Li2Mg10 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiLaMg6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.203
_cell_length_b   6.700
_cell_length_c   6.722
_cell_angle_alpha   119.894
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   203.145
_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
  La  La0  1  0.500  0.666  0.332  1.0
  Li  Li1  1  0.500  0.163  0.327  1.0
  Mg  Mg2  1  0.500  0.677  0.839  1.0
  Mg  Mg3  1  0.500  0.162  0.839  1.0
  Mg  Mg4  1  0.000  0.842  0.161  1.0
  Mg  Mg5  1  1.000  0.319  0.161  1.0
  Mg  Mg6  1  0.000  0.332  0.664  1.0
  Mg  Mg7  1  0.000  0.839  0.677  1.0
[/CIF]
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