The material described by NaLiMg6 crystallizes in the orthorhombic Amm2 space group. Na(1) is bonded to two equivalent Li(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(2) atoms to form NaLi2Mg10 cuboctahedra that share corners with four equivalent Li(1)Na2Mg10 cuboctahedra, corners with six equivalent Na(1)Li2Mg10 cuboctahedra, corners with eight equivalent Mg(1)Na2Li2Mg8 cuboctahedra, edges with two equivalent Li(1)Na2Mg10 cuboctahedra, edges with four equivalent Mg(1)Na2Li2Mg8 cuboctahedra, edges with four equivalent Mg(4)Na2Mg10 cuboctahedra, edges with eight equivalent Mg(2)Na2Li2Mg8 cuboctahedra, faces with two equivalent Na(1)Li2Mg10 cuboctahedra, faces with two equivalent Li(1)Na2Mg10 cuboctahedra, faces with two equivalent Mg(4)Na2Mg10 cuboctahedra, faces with four equivalent Mg(1)Na2Li2Mg8 cuboctahedra, faces with four equivalent Mg(2)Na2Li2Mg8 cuboctahedra, and faces with six equivalent Mg(3)Li2Mg10 cuboctahedra. Li(1) is bonded to two equivalent Na(1), two equivalent Mg(3), four equivalent Mg(1), and four equivalent Mg(2) atoms to form LiNa2Mg10 cuboctahedra that share corners with four equivalent Na(1)Li2Mg10 cuboctahedra, corners with six equivalent Li(1)Na2Mg10 cuboctahedra, corners with eight equivalent Mg(1)Na2Li2Mg8 cuboctahedra, edges with two equivalent Na(1)Li2Mg10 cuboctahedra, edges with four equivalent Mg(3)Li2Mg10 cuboctahedra, edges with four equivalent Mg(1)Na2Li2Mg8 cuboctahedra, edges with eight equivalent Mg(2)Na2Li2Mg8 cuboctahedra, faces with two equivalent Na(1)Li2Mg10 cuboctahedra, faces with two equivalent Li(1)Na2Mg10 cuboctahedra, faces with two equivalent Mg(3)Li2Mg10 cuboctahedra, faces with four equivalent Mg(1)Na2Li2Mg8 cuboctahedra, faces with four equivalent Mg(2)Na2Li2Mg8 cuboctahedra, and faces with six equivalent Mg(4)Na2Mg10 cuboctahedra. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Na(1), two equivalent Li(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), and two equivalent Mg(4) atoms to form distorted MgNa2Li2Mg8 cuboctahedra that share corners with four equivalent Na(1)Li2Mg10 cuboctahedra, corners with four equivalent Li(1)Na2Mg10 cuboctahedra, corners with ten equivalent Mg(1)Na2Li2Mg8 cuboctahedra, edges with two equivalent Na(1)Li2Mg10 cuboctahedra, edges with two equivalent Li(1)Na2Mg10 cuboctahedra, edges with two equivalent Mg(1)Na2Li2Mg8 cuboctahedra, edges with four equivalent Mg(3)Li2Mg10 cuboctahedra, edges with four equivalent Mg(2)Na2Li2Mg8 cuboctahedra, edges with four equivalent Mg(4)Na2Mg10 cuboctahedra, faces with two equivalent Na(1)Li2Mg10 cuboctahedra, faces with two equivalent Li(1)Na2Mg10 cuboctahedra, faces with two equivalent Mg(3)Li2Mg10 cuboctahedra, faces with two equivalent Mg(4)Na2Mg10 cuboctahedra, faces with four equivalent Mg(1)Na2Li2Mg8 cuboctahedra, and faces with eight equivalent Mg(2)Na2Li2Mg8 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Na(1), two equivalent Li(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), and two equivalent Mg(4) atoms to form distorted MgNa2Li2Mg8 cuboctahedra that share corners with four equivalent Mg(3)Li2Mg10 cuboctahedra, corners with four equivalent Mg(4)Na2Mg10 cuboctahedra, corners with ten equivalent Mg(2)Na2Li2Mg8 cuboctahedra, edges with two equivalent Mg(3)Li2Mg10 cuboctahedra, edges with two equivalent Mg(2)Na2Li2Mg8 cuboctahedra, edges with two equivalent Mg(4)Na2Mg10 cuboctahedra, edges with four equivalent Na(1)Li2Mg10 cuboctahedra, edges with four equivalent Li(1)Na2Mg10 cuboctahedra, edges with four equivalent Mg(1)Na2Li2Mg8 cuboctahedra, faces with two equivalent Na(1)Li2Mg10 cuboctahedra, faces with two equivalent Li(1)Na2Mg10 cuboctahedra, faces with two equivalent Mg(3)Li2Mg10 cuboctahedra, faces with two equivalent Mg(4)Na2Mg10 cuboctahedra, faces with four equivalent Mg(2)Na2Li2Mg8 cuboctahedra, and faces with eight equivalent Mg(1)Na2Li2Mg8 cuboctahedra. 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 MgLi2Mg10 cuboctahedra that share corners with four equivalent Mg(4)Na2Mg10 cuboctahedra, corners with six equivalent Mg(3)Li2Mg10 cuboctahedra, corners with eight equivalent Mg(2)Na2Li2Mg8 cuboctahedra, edges with two equivalent Mg(4)Na2Mg10 cuboctahedra, edges with four equivalent Li(1)Na2Mg10 cuboctahedra, edges with four equivalent Mg(2)Na2Li2Mg8 cuboctahedra, edges with eight equivalent Mg(1)Na2Li2Mg8 cuboctahedra, faces with two equivalent Li(1)Na2Mg10 cuboctahedra, faces with two equivalent Mg(3)Li2Mg10 cuboctahedra, faces with two equivalent Mg(4)Na2Mg10 cuboctahedra, faces with four equivalent Mg(1)Na2Li2Mg8 cuboctahedra, faces with four equivalent Mg(2)Na2Li2Mg8 cuboctahedra, and faces with six equivalent Na(1)Li2Mg10 cuboctahedra. In the fourth Mg site, Mg(4) is bonded to two equivalent Na(1), two equivalent Mg(3), four equivalent Mg(1), and four equivalent Mg(2) atoms to form MgNa2Mg10 cuboctahedra that share corners with four equivalent Mg(3)Li2Mg10 cuboctahedra, corners with six equivalent Mg(4)Na2Mg10 cuboctahedra, corners with eight equivalent Mg(2)Na2Li2Mg8 cuboctahedra, edges with two equivalent Mg(3)Li2Mg10 cuboctahedra, edges with four equivalent Na(1)Li2Mg10 cuboctahedra, edges with four equivalent Mg(2)Na2Li2Mg8 cuboctahedra, edges with eight equivalent Mg(1)Na2Li2Mg8 cuboctahedra, faces with two equivalent Na(1)Li2Mg10 cuboctahedra, faces with two equivalent Mg(3)Li2Mg10 cuboctahedra, faces with two equivalent Mg(4)Na2Mg10 cuboctahedra, faces with four equivalent Mg(1)Na2Li2Mg8 cuboctahedra, faces with four equivalent Mg(2)Na2Li2Mg8 cuboctahedra, and faces with six equivalent Li(1)Na2Mg10 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaLiMg6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.283
_cell_length_b   6.390
_cell_length_c   6.438
_cell_angle_alpha   119.756
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   188.665
_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  0.500  0.167  0.333  1.0
  Mg  Mg1  1  0.500  0.667  0.833  1.0
  Mg  Mg2  1  0.500  0.167  0.833  1.0
  Mg  Mg3  1  0.000  0.836  0.166  1.0
  Mg  Mg4  1  0.000  0.330  0.166  1.0
  Mg  Mg5  1  0.000  0.333  0.665  1.0
  Mg  Mg6  1  0.000  0.834  0.669  1.0
  Na  Na7  1  0.500  0.667  0.333  1.0
[/CIF]
.
The material described by NaLiMg6 crystallizes in the orthorhombic Amm2 space group. Na(1) is bonded to two equivalent Li(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(2) atoms to form NaLi2Mg10 cuboctahedra that share corners with four equivalent Li(1)Na2Mg10 cuboctahedra, corners with six equivalent Na(1)Li2Mg10 cuboctahedra, corners with eight equivalent Mg(1)Na2Li2Mg8 cuboctahedra, edges with two equivalent Li(1)Na2Mg10 cuboctahedra, edges with four equivalent Mg(1)Na2Li2Mg8 cuboctahedra, edges with four equivalent Mg(4)Na2Mg10 cuboctahedra, edges with eight equivalent Mg(2)Na2Li2Mg8 cuboctahedra, faces with two equivalent Na(1)Li2Mg10 cuboctahedra, faces with two equivalent Li(1)Na2Mg10 cuboctahedra, faces with two equivalent Mg(4)Na2Mg10 cuboctahedra, faces with four equivalent Mg(1)Na2Li2Mg8 cuboctahedra, faces with four equivalent Mg(2)Na2Li2Mg8 cuboctahedra, and faces with six equivalent Mg(3)Li2Mg10 cuboctahedra. Li(1) is bonded to two equivalent Na(1), two equivalent Mg(3), four equivalent Mg(1), and four equivalent Mg(2) atoms to form LiNa2Mg10 cuboctahedra that share corners with four equivalent Na(1)Li2Mg10 cuboctahedra, corners with six equivalent Li(1)Na2Mg10 cuboctahedra, corners with eight equivalent Mg(1)Na2Li2Mg8 cuboctahedra, edges with two equivalent Na(1)Li2Mg10 cuboctahedra, edges with four equivalent Mg(3)Li2Mg10 cuboctahedra, edges with four equivalent Mg(1)Na2Li2Mg8 cuboctahedra, edges with eight equivalent Mg(2)Na2Li2Mg8 cuboctahedra, faces with two equivalent Na(1)Li2Mg10 cuboctahedra, faces with two equivalent Li(1)Na2Mg10 cuboctahedra, faces with two equivalent Mg(3)Li2Mg10 cuboctahedra, faces with four equivalent Mg(1)Na2Li2Mg8 cuboctahedra, faces with four equivalent Mg(2)Na2Li2Mg8 cuboctahedra, and faces with six equivalent Mg(4)Na2Mg10 cuboctahedra. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Na(1), two equivalent Li(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), and two equivalent Mg(4) atoms to form distorted MgNa2Li2Mg8 cuboctahedra that share corners with four equivalent Na(1)Li2Mg10 cuboctahedra, corners with four equivalent Li(1)Na2Mg10 cuboctahedra, corners with ten equivalent Mg(1)Na2Li2Mg8 cuboctahedra, edges with two equivalent Na(1)Li2Mg10 cuboctahedra, edges with two equivalent Li(1)Na2Mg10 cuboctahedra, edges with two equivalent Mg(1)Na2Li2Mg8 cuboctahedra, edges with four equivalent Mg(3)Li2Mg10 cuboctahedra, edges with four equivalent Mg(2)Na2Li2Mg8 cuboctahedra, edges with four equivalent Mg(4)Na2Mg10 cuboctahedra, faces with two equivalent Na(1)Li2Mg10 cuboctahedra, faces with two equivalent Li(1)Na2Mg10 cuboctahedra, faces with two equivalent Mg(3)Li2Mg10 cuboctahedra, faces with two equivalent Mg(4)Na2Mg10 cuboctahedra, faces with four equivalent Mg(1)Na2Li2Mg8 cuboctahedra, and faces with eight equivalent Mg(2)Na2Li2Mg8 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Na(1), two equivalent Li(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), and two equivalent Mg(4) atoms to form distorted MgNa2Li2Mg8 cuboctahedra that share corners with four equivalent Mg(3)Li2Mg10 cuboctahedra, corners with four equivalent Mg(4)Na2Mg10 cuboctahedra, corners with ten equivalent Mg(2)Na2Li2Mg8 cuboctahedra, edges with two equivalent Mg(3)Li2Mg10 cuboctahedra, edges with two equivalent Mg(2)Na2Li2Mg8 cuboctahedra, edges with two equivalent Mg(4)Na2Mg10 cuboctahedra, edges with four equivalent Na(1)Li2Mg10 cuboctahedra, edges with four equivalent Li(1)Na2Mg10 cuboctahedra, edges with four equivalent Mg(1)Na2Li2Mg8 cuboctahedra, faces with two equivalent Na(1)Li2Mg10 cuboctahedra, faces with two equivalent Li(1)Na2Mg10 cuboctahedra, faces with two equivalent Mg(3)Li2Mg10 cuboctahedra, faces with two equivalent Mg(4)Na2Mg10 cuboctahedra, faces with four equivalent Mg(2)Na2Li2Mg8 cuboctahedra, and faces with eight equivalent Mg(1)Na2Li2Mg8 cuboctahedra. 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 MgLi2Mg10 cuboctahedra that share corners with four equivalent Mg(4)Na2Mg10 cuboctahedra, corners with six equivalent Mg(3)Li2Mg10 cuboctahedra, corners with eight equivalent Mg(2)Na2Li2Mg8 cuboctahedra, edges with two equivalent Mg(4)Na2Mg10 cuboctahedra, edges with four equivalent Li(1)Na2Mg10 cuboctahedra, edges with four equivalent Mg(2)Na2Li2Mg8 cuboctahedra, edges with eight equivalent Mg(1)Na2Li2Mg8 cuboctahedra, faces with two equivalent Li(1)Na2Mg10 cuboctahedra, faces with two equivalent Mg(3)Li2Mg10 cuboctahedra, faces with two equivalent Mg(4)Na2Mg10 cuboctahedra, faces with four equivalent Mg(1)Na2Li2Mg8 cuboctahedra, faces with four equivalent Mg(2)Na2Li2Mg8 cuboctahedra, and faces with six equivalent Na(1)Li2Mg10 cuboctahedra. In the fourth Mg site, Mg(4) is bonded to two equivalent Na(1), two equivalent Mg(3), four equivalent Mg(1), and four equivalent Mg(2) atoms to form MgNa2Mg10 cuboctahedra that share corners with four equivalent Mg(3)Li2Mg10 cuboctahedra, corners with six equivalent Mg(4)Na2Mg10 cuboctahedra, corners with eight equivalent Mg(2)Na2Li2Mg8 cuboctahedra, edges with two equivalent Mg(3)Li2Mg10 cuboctahedra, edges with four equivalent Na(1)Li2Mg10 cuboctahedra, edges with four equivalent Mg(2)Na2Li2Mg8 cuboctahedra, edges with eight equivalent Mg(1)Na2Li2Mg8 cuboctahedra, faces with two equivalent Na(1)Li2Mg10 cuboctahedra, faces with two equivalent Mg(3)Li2Mg10 cuboctahedra, faces with two equivalent Mg(4)Na2Mg10 cuboctahedra, faces with four equivalent Mg(1)Na2Li2Mg8 cuboctahedra, faces with four equivalent Mg(2)Na2Li2Mg8 cuboctahedra, and faces with six equivalent Li(1)Na2Mg10 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaLiMg6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.283
_cell_length_b   6.390
_cell_length_c   6.438
_cell_angle_alpha   119.756
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   188.665
_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  0.500  0.167  0.333  1.0
  Mg  Mg1  1  0.500  0.667  0.833  1.0
  Mg  Mg2  1  0.500  0.167  0.833  1.0
  Mg  Mg3  1  0.000  0.836  0.166  1.0
  Mg  Mg4  1  0.000  0.330  0.166  1.0
  Mg  Mg5  1  0.000  0.333  0.665  1.0
  Mg  Mg6  1  0.000  0.834  0.669  1.0
  Na  Na7  1  0.500  0.667  0.333  1.0
[/CIF]
.