The structure described by LiMg6Ni is beta Cu3Ti-derived structured and crystallizes in the orthorhombic Amm2 space group. Li(1) is bonded to two equivalent Mg(4); four Mg(1,1); four Mg(3,3); and two equivalent Ni(1) atoms to form LiMg10Ni2 cuboctahedra that share corners with four equivalent Mg(4)Li2Mg10 cuboctahedra; corners with six equivalent Li(1)Mg10Ni2 cuboctahedra; edges with two equivalent Mg(4)Li2Mg10 cuboctahedra; edges with four equivalent Ni(1)Li2Mg10 cuboctahedra; edges with eight Mg(1,1,1)Li2Mg8Ni2 cuboctahedra; faces with two equivalent Li(1)Mg10Ni2 cuboctahedra; faces with two equivalent Mg(4)Li2Mg10 cuboctahedra; faces with two equivalent Ni(1)Li2Mg10 cuboctahedra; faces with four Mg(1,1)Li2Mg8Ni2 cuboctahedra; and faces with six equivalent Mg(2)Mg10Ni2 cuboctahedra. There are seven 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 Ni(1) atoms to form distorted MgLi2Mg8Ni2 cuboctahedra that share corners with four equivalent Mg(2)Mg10Ni2 cuboctahedra; corners with four equivalent Ni(1)Li2Mg10 cuboctahedra; corners with ten Mg(1,1)Li2Mg8Ni2 cuboctahedra; edges with two equivalent Mg(1)Li2Mg8Ni2 cuboctahedra; edges with two equivalent Mg(2)Mg10Ni2 cuboctahedra; edges with two equivalent Ni(1)Li2Mg10 cuboctahedra; edges with four equivalent Li(1)Mg10Ni2 cuboctahedra; edges with four equivalent Mg(4)Li2Mg10 cuboctahedra; faces with two equivalent Li(1)Mg10Ni2 cuboctahedra; faces with two equivalent Mg(4)Li2Mg10 cuboctahedra; faces with two equivalent Mg(2)Mg10Ni2 cuboctahedra; faces with two equivalent Ni(1)Li2Mg10 cuboctahedra; and faces with four Mg(1,1)Li2Mg8Ni2 cuboctahedra. In the second 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 Ni(1) atoms to form distorted MgLi2Mg8Ni2 cuboctahedra that share corners with four equivalent Mg(2)Mg10Ni2 cuboctahedra; corners with four equivalent Ni(1)Li2Mg10 cuboctahedra; corners with ten Mg(1,1,1)Li2Mg8Ni2 cuboctahedra; edges with two equivalent Mg(1)Li2Mg8Ni2 cuboctahedra; edges with two equivalent Mg(2)Mg10Ni2 cuboctahedra; edges with two equivalent Ni(1)Li2Mg10 cuboctahedra; edges with four equivalent Li(1)Mg10Ni2 cuboctahedra; edges with four equivalent Mg(4)Li2Mg10 cuboctahedra; faces with two equivalent Li(1)Mg10Ni2 cuboctahedra; faces with two equivalent Mg(4)Li2Mg10 cuboctahedra; faces with two equivalent Mg(2)Mg10Ni2 cuboctahedra; faces with two equivalent Ni(1)Li2Mg10 cuboctahedra; and faces with four Mg(1,1)Li2Mg8Ni2 cuboctahedra. In the third Mg site, Mg(2) is bonded to two equivalent Mg(4); four Mg(1,1,1); four Mg(3,3); and two equivalent Ni(1) atoms to form distorted MgMg10Ni2 cuboctahedra that share corners with four equivalent Ni(1)Li2Mg10 cuboctahedra; corners with six equivalent Mg(2)Mg10Ni2 cuboctahedra; corners with eight Mg(1,1,1)Li2Mg8Ni2 cuboctahedra; edges with two equivalent Ni(1)Li2Mg10 cuboctahedra; edges with four equivalent Mg(4)Li2Mg10 cuboctahedra; edges with four Mg(1,1,1)Li2Mg8Ni2 cuboctahedra; faces with two equivalent Mg(4)Li2Mg10 cuboctahedra; faces with two equivalent Mg(2)Mg10Ni2 cuboctahedra; faces with two equivalent Ni(1)Li2Mg10 cuboctahedra; faces with four Mg(1,1,1)Li2Mg8Ni2 cuboctahedra; and faces with six equivalent Li(1)Mg10Ni2 cuboctahedra. In the fourth Mg site, Mg(3) 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 Ni(1) atoms. In the fifth Mg site, Mg(4) is bonded to two equivalent Li(1); two equivalent Mg(2); four Mg(1,1); and four Mg(3,3) atoms to form MgLi2Mg10 cuboctahedra that share corners with four equivalent Li(1)Mg10Ni2 cuboctahedra; corners with six equivalent Mg(4)Li2Mg10 cuboctahedra; edges with two equivalent Li(1)Mg10Ni2 cuboctahedra; edges with four equivalent Mg(2)Mg10Ni2 cuboctahedra; edges with eight Mg(1,1,1)Li2Mg8Ni2 cuboctahedra; faces with two equivalent Li(1)Mg10Ni2 cuboctahedra; faces with two equivalent Mg(4)Li2Mg10 cuboctahedra; faces with two equivalent Mg(2)Mg10Ni2 cuboctahedra; faces with four Mg(1,1)Li2Mg8Ni2 cuboctahedra; and faces with six equivalent Ni(1)Li2Mg10 cuboctahedra. In the sixth 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 Ni(1) atoms to form distorted MgLi2Mg8Ni2 cuboctahedra that share corners with four equivalent Mg(2)Mg10Ni2 cuboctahedra; corners with four equivalent Ni(1)Li2Mg10 cuboctahedra; corners with ten Mg(1,1)Li2Mg8Ni2 cuboctahedra; edges with two equivalent Mg(1)Li2Mg8Ni2 cuboctahedra; edges with two equivalent Mg(2)Mg10Ni2 cuboctahedra; edges with two equivalent Ni(1)Li2Mg10 cuboctahedra; edges with four equivalent Li(1)Mg10Ni2 cuboctahedra; edges with four equivalent Mg(4)Li2Mg10 cuboctahedra; faces with two equivalent Li(1)Mg10Ni2 cuboctahedra; faces with two equivalent Mg(4)Li2Mg10 cuboctahedra; faces with two equivalent Mg(2)Mg10Ni2 cuboctahedra; faces with two equivalent Ni(1)Li2Mg10 cuboctahedra; and faces with four Mg(1,1)Li2Mg8Ni2 cuboctahedra. In the seventh Mg site, Mg(3) 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 Ni(1) atoms. Ni(1) is bonded to two equivalent Li(1); two equivalent Mg(2); four Mg(1,1,1); and four equivalent Mg(3) atoms to form NiLi2Mg10 cuboctahedra that share corners with four equivalent Mg(2)Mg10Ni2 cuboctahedra; corners with six equivalent Ni(1)Li2Mg10 cuboctahedra; corners with eight Mg(1,1,1)Li2Mg8Ni2 cuboctahedra; edges with two equivalent Mg(2)Mg10Ni2 cuboctahedra; edges with four equivalent Li(1)Mg10Ni2 cuboctahedra; edges with four Mg(1,1,1)Li2Mg8Ni2 cuboctahedra; faces with two equivalent Li(1)Mg10Ni2 cuboctahedra; faces with two equivalent Mg(2)Mg10Ni2 cuboctahedra; faces with two equivalent Ni(1)Li2Mg10 cuboctahedra; faces with four Mg(1,1,1)Li2Mg8Ni2 cuboctahedra; and faces with six equivalent Mg(4)Li2Mg10 cuboctahedra. is represented by the CIF card [CIF]
data_LiMg6Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.048
_cell_length_b   6.048
_cell_length_c   4.956
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   118.510
_symmetry_Int_Tables_number   1
_cell_volume   159.285
_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  0.170  0.830  0.000  1.0
  Mg  Mg1  1  0.844  0.667  0.500  1.0
  Mg  Mg2  1  0.333  0.156  0.500  1.0
  Mg  Mg3  1  0.836  0.164  0.500  1.0
  Mg  Mg4  1  0.643  0.828  0.000  1.0
  Mg  Mg5  1  0.172  0.357  0.000  1.0
  Mg  Mg6  1  0.664  0.336  0.000  1.0
  Ni  Ni7  1  0.338  0.662  0.500  1.0
[/CIF]
.
The structure described by LiMg6Ni is beta Cu3Ti-derived structured and crystallizes in the orthorhombic Amm2 space group. Li(1) is bonded to two equivalent Mg(4); four Mg(1,1); four Mg(3,3); and two equivalent Ni(1) atoms to form LiMg10Ni2 cuboctahedra that share corners with four equivalent Mg(4)Li2Mg10 cuboctahedra; corners with six equivalent Li(1)Mg10Ni2 cuboctahedra; edges with two equivalent Mg(4)Li2Mg10 cuboctahedra; edges with four equivalent Ni(1)Li2Mg10 cuboctahedra; edges with eight Mg(1,1,1)Li2Mg8Ni2 cuboctahedra; faces with two equivalent Li(1)Mg10Ni2 cuboctahedra; faces with two equivalent Mg(4)Li2Mg10 cuboctahedra; faces with two equivalent Ni(1)Li2Mg10 cuboctahedra; faces with four Mg(1,1)Li2Mg8Ni2 cuboctahedra; and faces with six equivalent Mg(2)Mg10Ni2 cuboctahedra. There are seven 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 Ni(1) atoms to form distorted MgLi2Mg8Ni2 cuboctahedra that share corners with four equivalent Mg(2)Mg10Ni2 cuboctahedra; corners with four equivalent Ni(1)Li2Mg10 cuboctahedra; corners with ten Mg(1,1)Li2Mg8Ni2 cuboctahedra; edges with two equivalent Mg(1)Li2Mg8Ni2 cuboctahedra; edges with two equivalent Mg(2)Mg10Ni2 cuboctahedra; edges with two equivalent Ni(1)Li2Mg10 cuboctahedra; edges with four equivalent Li(1)Mg10Ni2 cuboctahedra; edges with four equivalent Mg(4)Li2Mg10 cuboctahedra; faces with two equivalent Li(1)Mg10Ni2 cuboctahedra; faces with two equivalent Mg(4)Li2Mg10 cuboctahedra; faces with two equivalent Mg(2)Mg10Ni2 cuboctahedra; faces with two equivalent Ni(1)Li2Mg10 cuboctahedra; and faces with four Mg(1,1)Li2Mg8Ni2 cuboctahedra. In the second 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 Ni(1) atoms to form distorted MgLi2Mg8Ni2 cuboctahedra that share corners with four equivalent Mg(2)Mg10Ni2 cuboctahedra; corners with four equivalent Ni(1)Li2Mg10 cuboctahedra; corners with ten Mg(1,1,1)Li2Mg8Ni2 cuboctahedra; edges with two equivalent Mg(1)Li2Mg8Ni2 cuboctahedra; edges with two equivalent Mg(2)Mg10Ni2 cuboctahedra; edges with two equivalent Ni(1)Li2Mg10 cuboctahedra; edges with four equivalent Li(1)Mg10Ni2 cuboctahedra; edges with four equivalent Mg(4)Li2Mg10 cuboctahedra; faces with two equivalent Li(1)Mg10Ni2 cuboctahedra; faces with two equivalent Mg(4)Li2Mg10 cuboctahedra; faces with two equivalent Mg(2)Mg10Ni2 cuboctahedra; faces with two equivalent Ni(1)Li2Mg10 cuboctahedra; and faces with four Mg(1,1)Li2Mg8Ni2 cuboctahedra. In the third Mg site, Mg(2) is bonded to two equivalent Mg(4); four Mg(1,1,1); four Mg(3,3); and two equivalent Ni(1) atoms to form distorted MgMg10Ni2 cuboctahedra that share corners with four equivalent Ni(1)Li2Mg10 cuboctahedra; corners with six equivalent Mg(2)Mg10Ni2 cuboctahedra; corners with eight Mg(1,1,1)Li2Mg8Ni2 cuboctahedra; edges with two equivalent Ni(1)Li2Mg10 cuboctahedra; edges with four equivalent Mg(4)Li2Mg10 cuboctahedra; edges with four Mg(1,1,1)Li2Mg8Ni2 cuboctahedra; faces with two equivalent Mg(4)Li2Mg10 cuboctahedra; faces with two equivalent Mg(2)Mg10Ni2 cuboctahedra; faces with two equivalent Ni(1)Li2Mg10 cuboctahedra; faces with four Mg(1,1,1)Li2Mg8Ni2 cuboctahedra; and faces with six equivalent Li(1)Mg10Ni2 cuboctahedra. In the fourth Mg site, Mg(3) 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 Ni(1) atoms. In the fifth Mg site, Mg(4) is bonded to two equivalent Li(1); two equivalent Mg(2); four Mg(1,1); and four Mg(3,3) atoms to form MgLi2Mg10 cuboctahedra that share corners with four equivalent Li(1)Mg10Ni2 cuboctahedra; corners with six equivalent Mg(4)Li2Mg10 cuboctahedra; edges with two equivalent Li(1)Mg10Ni2 cuboctahedra; edges with four equivalent Mg(2)Mg10Ni2 cuboctahedra; edges with eight Mg(1,1,1)Li2Mg8Ni2 cuboctahedra; faces with two equivalent Li(1)Mg10Ni2 cuboctahedra; faces with two equivalent Mg(4)Li2Mg10 cuboctahedra; faces with two equivalent Mg(2)Mg10Ni2 cuboctahedra; faces with four Mg(1,1)Li2Mg8Ni2 cuboctahedra; and faces with six equivalent Ni(1)Li2Mg10 cuboctahedra. In the sixth 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 Ni(1) atoms to form distorted MgLi2Mg8Ni2 cuboctahedra that share corners with four equivalent Mg(2)Mg10Ni2 cuboctahedra; corners with four equivalent Ni(1)Li2Mg10 cuboctahedra; corners with ten Mg(1,1)Li2Mg8Ni2 cuboctahedra; edges with two equivalent Mg(1)Li2Mg8Ni2 cuboctahedra; edges with two equivalent Mg(2)Mg10Ni2 cuboctahedra; edges with two equivalent Ni(1)Li2Mg10 cuboctahedra; edges with four equivalent Li(1)Mg10Ni2 cuboctahedra; edges with four equivalent Mg(4)Li2Mg10 cuboctahedra; faces with two equivalent Li(1)Mg10Ni2 cuboctahedra; faces with two equivalent Mg(4)Li2Mg10 cuboctahedra; faces with two equivalent Mg(2)Mg10Ni2 cuboctahedra; faces with two equivalent Ni(1)Li2Mg10 cuboctahedra; and faces with four Mg(1,1)Li2Mg8Ni2 cuboctahedra. In the seventh Mg site, Mg(3) 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 Ni(1) atoms. Ni(1) is bonded to two equivalent Li(1); two equivalent Mg(2); four Mg(1,1,1); and four equivalent Mg(3) atoms to form NiLi2Mg10 cuboctahedra that share corners with four equivalent Mg(2)Mg10Ni2 cuboctahedra; corners with six equivalent Ni(1)Li2Mg10 cuboctahedra; corners with eight Mg(1,1,1)Li2Mg8Ni2 cuboctahedra; edges with two equivalent Mg(2)Mg10Ni2 cuboctahedra; edges with four equivalent Li(1)Mg10Ni2 cuboctahedra; edges with four Mg(1,1,1)Li2Mg8Ni2 cuboctahedra; faces with two equivalent Li(1)Mg10Ni2 cuboctahedra; faces with two equivalent Mg(2)Mg10Ni2 cuboctahedra; faces with two equivalent Ni(1)Li2Mg10 cuboctahedra; faces with four Mg(1,1,1)Li2Mg8Ni2 cuboctahedra; and faces with six equivalent Mg(4)Li2Mg10 cuboctahedra. is represented by the CIF card [CIF]
data_LiMg6Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.048
_cell_length_b   6.048
_cell_length_c   4.956
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   118.510
_symmetry_Int_Tables_number   1
_cell_volume   159.285
_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  0.170  0.830  0.000  1.0
  Mg  Mg1  1  0.844  0.667  0.500  1.0
  Mg  Mg2  1  0.333  0.156  0.500  1.0
  Mg  Mg3  1  0.836  0.164  0.500  1.0
  Mg  Mg4  1  0.643  0.828  0.000  1.0
  Mg  Mg5  1  0.172  0.357  0.000  1.0
  Mg  Mg6  1  0.664  0.336  0.000  1.0
  Ni  Ni7  1  0.338  0.662  0.500  1.0
[/CIF]
.