The compound described by LiMg6Ti 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(3,3,3,3); and two equivalent Ti(1) atoms to form LiMg10Ti2 cuboctahedra that share corners with four equivalent Mg(4)Li2Mg10 cuboctahedra; corners with six equivalent Li(1)Mg10Ti2 cuboctahedra; corners with eight Mg(3,3,3,3)Li2Mg8Ti2 cuboctahedra; edges with two equivalent Mg(4)Li2Mg10 cuboctahedra; edges with four Mg(3,3,3,3)Li2Mg8Ti2 cuboctahedra; edges with four equivalent Ti(1)Li2Mg10 cuboctahedra; edges with eight Mg(1,1,1)Li2Mg8Ti2 cuboctahedra; faces with two equivalent Li(1)Mg10Ti2 cuboctahedra; faces with two equivalent Mg(4)Li2Mg10 cuboctahedra; faces with two equivalent Ti(1)Li2Mg10 cuboctahedra; faces with four Mg(1,1)Li2Mg8Ti2 cuboctahedra; faces with four Mg(3,3,3,3)Li2Mg8Ti2 cuboctahedra; and faces with six equivalent Mg(2)Mg10Ti2 cuboctahedra. There are nine 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 Ti(1) atoms to form distorted MgLi2Mg8Ti2 cuboctahedra that share corners with four equivalent Mg(2)Mg10Ti2 cuboctahedra; corners with four equivalent Ti(1)Li2Mg10 cuboctahedra; corners with ten Mg(1,1)Li2Mg8Ti2 cuboctahedra; edges with two equivalent Mg(1)Li2Mg8Ti2 cuboctahedra; edges with two equivalent Mg(2)Mg10Ti2 cuboctahedra; edges with two equivalent Ti(1)Li2Mg10 cuboctahedra; edges with four equivalent Li(1)Mg10Ti2 cuboctahedra; edges with four equivalent Mg(4)Li2Mg10 cuboctahedra; edges with four equivalent Mg(3)Li2Mg8Ti2 cuboctahedra; faces with two equivalent Li(1)Mg10Ti2 cuboctahedra; faces with two equivalent Mg(4)Li2Mg10 cuboctahedra; faces with two equivalent Mg(2)Mg10Ti2 cuboctahedra; faces with two equivalent Ti(1)Li2Mg10 cuboctahedra; faces with four Mg(1,1)Li2Mg8Ti2 cuboctahedra; and faces with eight Mg(3,3,3)Li2Mg8Ti2 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 Ti(1) atoms to form distorted MgLi2Mg8Ti2 cuboctahedra that share corners with four equivalent Mg(2)Mg10Ti2 cuboctahedra; corners with four equivalent Ti(1)Li2Mg10 cuboctahedra; corners with ten Mg(1,1,1)Li2Mg8Ti2 cuboctahedra; edges with two equivalent Mg(1)Li2Mg8Ti2 cuboctahedra; edges with two equivalent Mg(2)Mg10Ti2 cuboctahedra; edges with two equivalent Ti(1)Li2Mg10 cuboctahedra; edges with four equivalent Li(1)Mg10Ti2 cuboctahedra; edges with four equivalent Mg(4)Li2Mg10 cuboctahedra; edges with four equivalent Mg(3)Li2Mg8Ti2 cuboctahedra; faces with two equivalent Li(1)Mg10Ti2 cuboctahedra; faces with two equivalent Mg(4)Li2Mg10 cuboctahedra; faces with two equivalent Mg(2)Mg10Ti2 cuboctahedra; faces with two equivalent Ti(1)Li2Mg10 cuboctahedra; faces with four Mg(1,1)Li2Mg8Ti2 cuboctahedra; and faces with eight Mg(3,3,3)Li2Mg8Ti2 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 Ti(1) atoms to form MgMg10Ti2 cuboctahedra that share corners with four equivalent Ti(1)Li2Mg10 cuboctahedra; corners with six equivalent Mg(2)Mg10Ti2 cuboctahedra; corners with eight Mg(1,1,1)Li2Mg8Ti2 cuboctahedra; edges with two equivalent Ti(1)Li2Mg10 cuboctahedra; edges with four equivalent Mg(4)Li2Mg10 cuboctahedra; edges with four Mg(1,1,1)Li2Mg8Ti2 cuboctahedra; edges with eight Mg(3,3,3,3)Li2Mg8Ti2 cuboctahedra; faces with two equivalent Mg(4)Li2Mg10 cuboctahedra; faces with two equivalent Mg(2)Mg10Ti2 cuboctahedra; faces with two equivalent Ti(1)Li2Mg10 cuboctahedra; faces with four Mg(1,1,1)Li2Mg8Ti2 cuboctahedra; faces with four Mg(3,3)Li2Mg8Ti2 cuboctahedra; and faces with six equivalent Li(1)Mg10Ti2 cuboctahedra. In the fourth Mg site, Mg(3) 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 Ti(1) atoms to form distorted MgLi2Mg8Ti2 cuboctahedra that share corners with four equivalent Li(1)Mg10Ti2 cuboctahedra; corners with four equivalent Mg(4)Li2Mg10 cuboctahedra; corners with ten Mg(3,3,3)Li2Mg8Ti2 cuboctahedra; edges with two equivalent Li(1)Mg10Ti2 cuboctahedra; edges with two equivalent Mg(4)Li2Mg10 cuboctahedra; edges with two equivalent Mg(3)Li2Mg8Ti2 cuboctahedra; edges with four equivalent Mg(1)Li2Mg8Ti2 cuboctahedra; edges with four equivalent Mg(2)Mg10Ti2 cuboctahedra; edges with four equivalent Ti(1)Li2Mg10 cuboctahedra; faces with two equivalent Li(1)Mg10Ti2 cuboctahedra; faces with two equivalent Mg(4)Li2Mg10 cuboctahedra; faces with two equivalent Mg(2)Mg10Ti2 cuboctahedra; faces with two equivalent Ti(1)Li2Mg10 cuboctahedra; faces with four Mg(3,3)Li2Mg8Ti2 cuboctahedra; and faces with eight Mg(1,1)Li2Mg8Ti2 cuboctahedra. In the fifth Mg site, Mg(3) 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 Ti(1) atoms to form distorted MgLi2Mg8Ti2 cuboctahedra that share corners with four equivalent Li(1)Mg10Ti2 cuboctahedra; corners with four equivalent Mg(4)Li2Mg10 cuboctahedra; corners with ten Mg(3,3,3)Li2Mg8Ti2 cuboctahedra; edges with two equivalent Li(1)Mg10Ti2 cuboctahedra; edges with two equivalent Mg(4)Li2Mg10 cuboctahedra; edges with two equivalent Mg(3)Li2Mg8Ti2 cuboctahedra; edges with four equivalent Mg(1)Li2Mg8Ti2 cuboctahedra; edges with four equivalent Mg(2)Mg10Ti2 cuboctahedra; edges with four equivalent Ti(1)Li2Mg10 cuboctahedra; faces with two equivalent Li(1)Mg10Ti2 cuboctahedra; faces with two equivalent Mg(4)Li2Mg10 cuboctahedra; faces with two equivalent Mg(2)Mg10Ti2 cuboctahedra; faces with two equivalent Ti(1)Li2Mg10 cuboctahedra; faces with four Mg(3,3)Li2Mg8Ti2 cuboctahedra; and faces with eight Mg(1,1,1)Li2Mg8Ti2 cuboctahedra. In the sixth Mg site, Mg(4) is bonded to two equivalent Li(1); two equivalent Mg(2); four Mg(1,1); and four Mg(3,3,3,3) atoms to form distorted MgLi2Mg10 cuboctahedra that share corners with four equivalent Li(1)Mg10Ti2 cuboctahedra; corners with six equivalent Mg(4)Li2Mg10 cuboctahedra; corners with eight Mg(3,3,3,3)Li2Mg8Ti2 cuboctahedra; edges with two equivalent Li(1)Mg10Ti2 cuboctahedra; edges with four Mg(3,3,3,3)Li2Mg8Ti2 cuboctahedra; edges with four equivalent Mg(2)Mg10Ti2 cuboctahedra; edges with eight Mg(1,1,1)Li2Mg8Ti2 cuboctahedra; faces with two equivalent Li(1)Mg10Ti2 cuboctahedra; faces with two equivalent Mg(4)Li2Mg10 cuboctahedra; faces with two equivalent Mg(2)Mg10Ti2 cuboctahedra; faces with four Mg(1,1)Li2Mg8Ti2 cuboctahedra; faces with four Mg(3,3,3,3)Li2Mg8Ti2 cuboctahedra; and faces with six equivalent Ti(1)Li2Mg10 cuboctahedra. In the seventh 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 Ti(1) atoms to form distorted MgLi2Mg8Ti2 cuboctahedra that share corners with four equivalent Mg(2)Mg10Ti2 cuboctahedra; corners with four equivalent Ti(1)Li2Mg10 cuboctahedra; corners with ten Mg(1,1)Li2Mg8Ti2 cuboctahedra; edges with two equivalent Mg(1)Li2Mg8Ti2 cuboctahedra; edges with two equivalent Mg(2)Mg10Ti2 cuboctahedra; edges with two equivalent Ti(1)Li2Mg10 cuboctahedra; edges with four equivalent Li(1)Mg10Ti2 cuboctahedra; edges with four equivalent Mg(4)Li2Mg10 cuboctahedra; edges with four equivalent Mg(3)Li2Mg8Ti2 cuboctahedra; faces with two equivalent Li(1)Mg10Ti2 cuboctahedra; faces with two equivalent Mg(4)Li2Mg10 cuboctahedra; faces with two equivalent Mg(2)Mg10Ti2 cuboctahedra; faces with two equivalent Ti(1)Li2Mg10 cuboctahedra; faces with four Mg(1,1)Li2Mg8Ti2 cuboctahedra; and faces with eight Mg(3,3,3)Li2Mg8Ti2 cuboctahedra. In the eighth Mg site, Mg(3) 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 Ti(1) atoms to form distorted MgLi2Mg8Ti2 cuboctahedra that share corners with four equivalent Li(1)Mg10Ti2 cuboctahedra; corners with four equivalent Mg(4)Li2Mg10 cuboctahedra; corners with ten Mg(3,3,3)Li2Mg8Ti2 cuboctahedra; edges with two equivalent Li(1)Mg10Ti2 cuboctahedra; edges with two equivalent Mg(4)Li2Mg10 cuboctahedra; edges with two equivalent Mg(3)Li2Mg8Ti2 cuboctahedra; edges with four equivalent Mg(1)Li2Mg8Ti2 cuboctahedra; edges with four equivalent Mg(2)Mg10Ti2 cuboctahedra; edges with four equivalent Ti(1)Li2Mg10 cuboctahedra; faces with two equivalent Li(1)Mg10Ti2 cuboctahedra; faces with two equivalent Mg(4)Li2Mg10 cuboctahedra; faces with two equivalent Mg(2)Mg10Ti2 cuboctahedra; faces with two equivalent Ti(1)Li2Mg10 cuboctahedra; faces with four Mg(3,3)Li2Mg8Ti2 cuboctahedra; and faces with eight Mg(1,1,1)Li2Mg8Ti2 cuboctahedra. In the ninth Mg site, Mg(3) 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 Ti(1) atoms to form distorted MgLi2Mg8Ti2 cuboctahedra that share corners with four equivalent Li(1)Mg10Ti2 cuboctahedra; corners with four equivalent Mg(4)Li2Mg10 cuboctahedra; corners with ten Mg(3,3,3)Li2Mg8Ti2 cuboctahedra; edges with two equivalent Li(1)Mg10Ti2 cuboctahedra; edges with two equivalent Mg(4)Li2Mg10 cuboctahedra; edges with two equivalent Mg(3)Li2Mg8Ti2 cuboctahedra; edges with four equivalent Mg(1)Li2Mg8Ti2 cuboctahedra; edges with four equivalent Mg(2)Mg10Ti2 cuboctahedra; edges with four equivalent Ti(1)Li2Mg10 cuboctahedra; faces with two equivalent Li(1)Mg10Ti2 cuboctahedra; faces with two equivalent Mg(4)Li2Mg10 cuboctahedra; faces with two equivalent Mg(2)Mg10Ti2 cuboctahedra; faces with two equivalent Ti(1)Li2Mg10 cuboctahedra; faces with four Mg(3,3)Li2Mg8Ti2 cuboctahedra; and faces with eight Mg(1,1)Li2Mg8Ti2 cuboctahedra. Ti(1) is bonded to two equivalent Li(1); two equivalent Mg(2); four Mg(1,1,1); and four Mg(3,3) atoms to form TiLi2Mg10 cuboctahedra that share corners with four equivalent Mg(2)Mg10Ti2 cuboctahedra; corners with six equivalent Ti(1)Li2Mg10 cuboctahedra; corners with eight Mg(1,1,1)Li2Mg8Ti2 cuboctahedra; edges with two equivalent Mg(2)Mg10Ti2 cuboctahedra; edges with four equivalent Li(1)Mg10Ti2 cuboctahedra; edges with four Mg(1,1,1)Li2Mg8Ti2 cuboctahedra; edges with eight Mg(3,3,3,3)Li2Mg8Ti2 cuboctahedra; faces with two equivalent Li(1)Mg10Ti2 cuboctahedra; faces with two equivalent Mg(2)Mg10Ti2 cuboctahedra; faces with two equivalent Ti(1)Li2Mg10 cuboctahedra; faces with four Mg(1,1,1)Li2Mg8Ti2 cuboctahedra; faces with four Mg(3,3)Li2Mg8Ti2 cuboctahedra; and faces with six equivalent Mg(4)Li2Mg10 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMg6Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.026
_cell_length_b   6.267
_cell_length_c   6.304
_cell_angle_alpha   119.809
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   172.308
_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  0.669  0.338  1.0
  Mg  Mg1  1  1.000  0.827  0.167  1.0
  Mg  Mg2  1  0.000  0.340  0.167  1.0
  Mg  Mg3  1  0.000  0.335  0.671  1.0
  Mg  Mg4  1  0.500  0.672  0.827  1.0
  Mg  Mg5  1  0.500  0.155  0.827  1.0
  Mg  Mg6  1  0.500  0.167  0.334  1.0
  Ti  Ti7  1  0.000  0.834  0.669  1.0
[/CIF]
.
The compound described by LiMg6Ti 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(3,3,3,3); and two equivalent Ti(1) atoms to form LiMg10Ti2 cuboctahedra that share corners with four equivalent Mg(4)Li2Mg10 cuboctahedra; corners with six equivalent Li(1)Mg10Ti2 cuboctahedra; corners with eight Mg(3,3,3,3)Li2Mg8Ti2 cuboctahedra; edges with two equivalent Mg(4)Li2Mg10 cuboctahedra; edges with four Mg(3,3,3,3)Li2Mg8Ti2 cuboctahedra; edges with four equivalent Ti(1)Li2Mg10 cuboctahedra; edges with eight Mg(1,1,1)Li2Mg8Ti2 cuboctahedra; faces with two equivalent Li(1)Mg10Ti2 cuboctahedra; faces with two equivalent Mg(4)Li2Mg10 cuboctahedra; faces with two equivalent Ti(1)Li2Mg10 cuboctahedra; faces with four Mg(1,1)Li2Mg8Ti2 cuboctahedra; faces with four Mg(3,3,3,3)Li2Mg8Ti2 cuboctahedra; and faces with six equivalent Mg(2)Mg10Ti2 cuboctahedra. There are nine 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 Ti(1) atoms to form distorted MgLi2Mg8Ti2 cuboctahedra that share corners with four equivalent Mg(2)Mg10Ti2 cuboctahedra; corners with four equivalent Ti(1)Li2Mg10 cuboctahedra; corners with ten Mg(1,1)Li2Mg8Ti2 cuboctahedra; edges with two equivalent Mg(1)Li2Mg8Ti2 cuboctahedra; edges with two equivalent Mg(2)Mg10Ti2 cuboctahedra; edges with two equivalent Ti(1)Li2Mg10 cuboctahedra; edges with four equivalent Li(1)Mg10Ti2 cuboctahedra; edges with four equivalent Mg(4)Li2Mg10 cuboctahedra; edges with four equivalent Mg(3)Li2Mg8Ti2 cuboctahedra; faces with two equivalent Li(1)Mg10Ti2 cuboctahedra; faces with two equivalent Mg(4)Li2Mg10 cuboctahedra; faces with two equivalent Mg(2)Mg10Ti2 cuboctahedra; faces with two equivalent Ti(1)Li2Mg10 cuboctahedra; faces with four Mg(1,1)Li2Mg8Ti2 cuboctahedra; and faces with eight Mg(3,3,3)Li2Mg8Ti2 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 Ti(1) atoms to form distorted MgLi2Mg8Ti2 cuboctahedra that share corners with four equivalent Mg(2)Mg10Ti2 cuboctahedra; corners with four equivalent Ti(1)Li2Mg10 cuboctahedra; corners with ten Mg(1,1,1)Li2Mg8Ti2 cuboctahedra; edges with two equivalent Mg(1)Li2Mg8Ti2 cuboctahedra; edges with two equivalent Mg(2)Mg10Ti2 cuboctahedra; edges with two equivalent Ti(1)Li2Mg10 cuboctahedra; edges with four equivalent Li(1)Mg10Ti2 cuboctahedra; edges with four equivalent Mg(4)Li2Mg10 cuboctahedra; edges with four equivalent Mg(3)Li2Mg8Ti2 cuboctahedra; faces with two equivalent Li(1)Mg10Ti2 cuboctahedra; faces with two equivalent Mg(4)Li2Mg10 cuboctahedra; faces with two equivalent Mg(2)Mg10Ti2 cuboctahedra; faces with two equivalent Ti(1)Li2Mg10 cuboctahedra; faces with four Mg(1,1)Li2Mg8Ti2 cuboctahedra; and faces with eight Mg(3,3,3)Li2Mg8Ti2 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 Ti(1) atoms to form MgMg10Ti2 cuboctahedra that share corners with four equivalent Ti(1)Li2Mg10 cuboctahedra; corners with six equivalent Mg(2)Mg10Ti2 cuboctahedra; corners with eight Mg(1,1,1)Li2Mg8Ti2 cuboctahedra; edges with two equivalent Ti(1)Li2Mg10 cuboctahedra; edges with four equivalent Mg(4)Li2Mg10 cuboctahedra; edges with four Mg(1,1,1)Li2Mg8Ti2 cuboctahedra; edges with eight Mg(3,3,3,3)Li2Mg8Ti2 cuboctahedra; faces with two equivalent Mg(4)Li2Mg10 cuboctahedra; faces with two equivalent Mg(2)Mg10Ti2 cuboctahedra; faces with two equivalent Ti(1)Li2Mg10 cuboctahedra; faces with four Mg(1,1,1)Li2Mg8Ti2 cuboctahedra; faces with four Mg(3,3)Li2Mg8Ti2 cuboctahedra; and faces with six equivalent Li(1)Mg10Ti2 cuboctahedra. In the fourth Mg site, Mg(3) 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 Ti(1) atoms to form distorted MgLi2Mg8Ti2 cuboctahedra that share corners with four equivalent Li(1)Mg10Ti2 cuboctahedra; corners with four equivalent Mg(4)Li2Mg10 cuboctahedra; corners with ten Mg(3,3,3)Li2Mg8Ti2 cuboctahedra; edges with two equivalent Li(1)Mg10Ti2 cuboctahedra; edges with two equivalent Mg(4)Li2Mg10 cuboctahedra; edges with two equivalent Mg(3)Li2Mg8Ti2 cuboctahedra; edges with four equivalent Mg(1)Li2Mg8Ti2 cuboctahedra; edges with four equivalent Mg(2)Mg10Ti2 cuboctahedra; edges with four equivalent Ti(1)Li2Mg10 cuboctahedra; faces with two equivalent Li(1)Mg10Ti2 cuboctahedra; faces with two equivalent Mg(4)Li2Mg10 cuboctahedra; faces with two equivalent Mg(2)Mg10Ti2 cuboctahedra; faces with two equivalent Ti(1)Li2Mg10 cuboctahedra; faces with four Mg(3,3)Li2Mg8Ti2 cuboctahedra; and faces with eight Mg(1,1)Li2Mg8Ti2 cuboctahedra. In the fifth Mg site, Mg(3) 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 Ti(1) atoms to form distorted MgLi2Mg8Ti2 cuboctahedra that share corners with four equivalent Li(1)Mg10Ti2 cuboctahedra; corners with four equivalent Mg(4)Li2Mg10 cuboctahedra; corners with ten Mg(3,3,3)Li2Mg8Ti2 cuboctahedra; edges with two equivalent Li(1)Mg10Ti2 cuboctahedra; edges with two equivalent Mg(4)Li2Mg10 cuboctahedra; edges with two equivalent Mg(3)Li2Mg8Ti2 cuboctahedra; edges with four equivalent Mg(1)Li2Mg8Ti2 cuboctahedra; edges with four equivalent Mg(2)Mg10Ti2 cuboctahedra; edges with four equivalent Ti(1)Li2Mg10 cuboctahedra; faces with two equivalent Li(1)Mg10Ti2 cuboctahedra; faces with two equivalent Mg(4)Li2Mg10 cuboctahedra; faces with two equivalent Mg(2)Mg10Ti2 cuboctahedra; faces with two equivalent Ti(1)Li2Mg10 cuboctahedra; faces with four Mg(3,3)Li2Mg8Ti2 cuboctahedra; and faces with eight Mg(1,1,1)Li2Mg8Ti2 cuboctahedra. In the sixth Mg site, Mg(4) is bonded to two equivalent Li(1); two equivalent Mg(2); four Mg(1,1); and four Mg(3,3,3,3) atoms to form distorted MgLi2Mg10 cuboctahedra that share corners with four equivalent Li(1)Mg10Ti2 cuboctahedra; corners with six equivalent Mg(4)Li2Mg10 cuboctahedra; corners with eight Mg(3,3,3,3)Li2Mg8Ti2 cuboctahedra; edges with two equivalent Li(1)Mg10Ti2 cuboctahedra; edges with four Mg(3,3,3,3)Li2Mg8Ti2 cuboctahedra; edges with four equivalent Mg(2)Mg10Ti2 cuboctahedra; edges with eight Mg(1,1,1)Li2Mg8Ti2 cuboctahedra; faces with two equivalent Li(1)Mg10Ti2 cuboctahedra; faces with two equivalent Mg(4)Li2Mg10 cuboctahedra; faces with two equivalent Mg(2)Mg10Ti2 cuboctahedra; faces with four Mg(1,1)Li2Mg8Ti2 cuboctahedra; faces with four Mg(3,3,3,3)Li2Mg8Ti2 cuboctahedra; and faces with six equivalent Ti(1)Li2Mg10 cuboctahedra. In the seventh 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 Ti(1) atoms to form distorted MgLi2Mg8Ti2 cuboctahedra that share corners with four equivalent Mg(2)Mg10Ti2 cuboctahedra; corners with four equivalent Ti(1)Li2Mg10 cuboctahedra; corners with ten Mg(1,1)Li2Mg8Ti2 cuboctahedra; edges with two equivalent Mg(1)Li2Mg8Ti2 cuboctahedra; edges with two equivalent Mg(2)Mg10Ti2 cuboctahedra; edges with two equivalent Ti(1)Li2Mg10 cuboctahedra; edges with four equivalent Li(1)Mg10Ti2 cuboctahedra; edges with four equivalent Mg(4)Li2Mg10 cuboctahedra; edges with four equivalent Mg(3)Li2Mg8Ti2 cuboctahedra; faces with two equivalent Li(1)Mg10Ti2 cuboctahedra; faces with two equivalent Mg(4)Li2Mg10 cuboctahedra; faces with two equivalent Mg(2)Mg10Ti2 cuboctahedra; faces with two equivalent Ti(1)Li2Mg10 cuboctahedra; faces with four Mg(1,1)Li2Mg8Ti2 cuboctahedra; and faces with eight Mg(3,3,3)Li2Mg8Ti2 cuboctahedra. In the eighth Mg site, Mg(3) 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 Ti(1) atoms to form distorted MgLi2Mg8Ti2 cuboctahedra that share corners with four equivalent Li(1)Mg10Ti2 cuboctahedra; corners with four equivalent Mg(4)Li2Mg10 cuboctahedra; corners with ten Mg(3,3,3)Li2Mg8Ti2 cuboctahedra; edges with two equivalent Li(1)Mg10Ti2 cuboctahedra; edges with two equivalent Mg(4)Li2Mg10 cuboctahedra; edges with two equivalent Mg(3)Li2Mg8Ti2 cuboctahedra; edges with four equivalent Mg(1)Li2Mg8Ti2 cuboctahedra; edges with four equivalent Mg(2)Mg10Ti2 cuboctahedra; edges with four equivalent Ti(1)Li2Mg10 cuboctahedra; faces with two equivalent Li(1)Mg10Ti2 cuboctahedra; faces with two equivalent Mg(4)Li2Mg10 cuboctahedra; faces with two equivalent Mg(2)Mg10Ti2 cuboctahedra; faces with two equivalent Ti(1)Li2Mg10 cuboctahedra; faces with four Mg(3,3)Li2Mg8Ti2 cuboctahedra; and faces with eight Mg(1,1,1)Li2Mg8Ti2 cuboctahedra. In the ninth Mg site, Mg(3) 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 Ti(1) atoms to form distorted MgLi2Mg8Ti2 cuboctahedra that share corners with four equivalent Li(1)Mg10Ti2 cuboctahedra; corners with four equivalent Mg(4)Li2Mg10 cuboctahedra; corners with ten Mg(3,3,3)Li2Mg8Ti2 cuboctahedra; edges with two equivalent Li(1)Mg10Ti2 cuboctahedra; edges with two equivalent Mg(4)Li2Mg10 cuboctahedra; edges with two equivalent Mg(3)Li2Mg8Ti2 cuboctahedra; edges with four equivalent Mg(1)Li2Mg8Ti2 cuboctahedra; edges with four equivalent Mg(2)Mg10Ti2 cuboctahedra; edges with four equivalent Ti(1)Li2Mg10 cuboctahedra; faces with two equivalent Li(1)Mg10Ti2 cuboctahedra; faces with two equivalent Mg(4)Li2Mg10 cuboctahedra; faces with two equivalent Mg(2)Mg10Ti2 cuboctahedra; faces with two equivalent Ti(1)Li2Mg10 cuboctahedra; faces with four Mg(3,3)Li2Mg8Ti2 cuboctahedra; and faces with eight Mg(1,1)Li2Mg8Ti2 cuboctahedra. Ti(1) is bonded to two equivalent Li(1); two equivalent Mg(2); four Mg(1,1,1); and four Mg(3,3) atoms to form TiLi2Mg10 cuboctahedra that share corners with four equivalent Mg(2)Mg10Ti2 cuboctahedra; corners with six equivalent Ti(1)Li2Mg10 cuboctahedra; corners with eight Mg(1,1,1)Li2Mg8Ti2 cuboctahedra; edges with two equivalent Mg(2)Mg10Ti2 cuboctahedra; edges with four equivalent Li(1)Mg10Ti2 cuboctahedra; edges with four Mg(1,1,1)Li2Mg8Ti2 cuboctahedra; edges with eight Mg(3,3,3,3)Li2Mg8Ti2 cuboctahedra; faces with two equivalent Li(1)Mg10Ti2 cuboctahedra; faces with two equivalent Mg(2)Mg10Ti2 cuboctahedra; faces with two equivalent Ti(1)Li2Mg10 cuboctahedra; faces with four Mg(1,1,1)Li2Mg8Ti2 cuboctahedra; faces with four Mg(3,3)Li2Mg8Ti2 cuboctahedra; and faces with six equivalent Mg(4)Li2Mg10 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMg6Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.026
_cell_length_b   6.267
_cell_length_c   6.304
_cell_angle_alpha   119.809
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   172.308
_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  0.669  0.338  1.0
  Mg  Mg1  1  1.000  0.827  0.167  1.0
  Mg  Mg2  1  0.000  0.340  0.167  1.0
  Mg  Mg3  1  0.000  0.335  0.671  1.0
  Mg  Mg4  1  0.500  0.672  0.827  1.0
  Mg  Mg5  1  0.500  0.155  0.827  1.0
  Mg  Mg6  1  0.500  0.167  0.334  1.0
  Ti  Ti7  1  0.000  0.834  0.669  1.0
[/CIF]
.