The material structure described by LiMg6Nb is beta Cu3Ti-derived structured and crystallizes in the orthorhombic Amm2 space group. Li(1) is bonded to two equivalent Mg(2); four Mg(1,1,1); four equivalent Mg(3); and two equivalent Nb(1) atoms to form LiMg10Nb2 cuboctahedra that share corners with four equivalent Mg(2)Li2Mg10 cuboctahedra; corners with six equivalent Li(1)Mg10Nb2 cuboctahedra; corners with eight Mg(1,1,1)Li2Mg8Nb2 cuboctahedra; edges with two equivalent Mg(2)Li2Mg10 cuboctahedra; edges with four Mg(1,1,1)Li2Mg8Nb2 cuboctahedra; edges with four equivalent Nb(1)Li2Mg10 cuboctahedra; edges with eight Mg(3,3)Li2Mg8Nb2 cuboctahedra; faces with two equivalent Li(1)Mg10Nb2 cuboctahedra; faces with two equivalent Mg(2)Li2Mg10 cuboctahedra; faces with two equivalent Nb(1)Li2Mg10 cuboctahedra; faces with four Mg(1,1,1)Li2Mg8Nb2 cuboctahedra; faces with four equivalent Mg(3)Li2Mg8Nb2 cuboctahedra; and faces with six equivalent Mg(4)Mg10Nb2 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 Nb(1) atoms to form distorted MgLi2Mg8Nb2 cuboctahedra that share corners with four equivalent Li(1)Mg10Nb2 cuboctahedra; corners with four equivalent Mg(2)Li2Mg10 cuboctahedra; corners with ten Mg(1,1)Li2Mg8Nb2 cuboctahedra; edges with two equivalent Li(1)Mg10Nb2 cuboctahedra; edges with two equivalent Mg(2)Li2Mg10 cuboctahedra; edges with two equivalent Mg(1)Li2Mg8Nb2 cuboctahedra; edges with four equivalent Mg(3)Li2Mg8Nb2 cuboctahedra; edges with four equivalent Mg(4)Mg10Nb2 cuboctahedra; edges with four equivalent Nb(1)Li2Mg10 cuboctahedra; faces with two equivalent Li(1)Mg10Nb2 cuboctahedra; faces with two equivalent Mg(2)Li2Mg10 cuboctahedra; faces with two equivalent Mg(4)Mg10Nb2 cuboctahedra; faces with two equivalent Nb(1)Li2Mg10 cuboctahedra; faces with four Mg(1,1)Li2Mg8Nb2 cuboctahedra; and faces with eight Mg(3,3)Li2Mg8Nb2 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 Nb(1) atoms to form distorted MgLi2Mg8Nb2 cuboctahedra that share corners with four equivalent Li(1)Mg10Nb2 cuboctahedra; corners with four equivalent Mg(2)Li2Mg10 cuboctahedra; corners with ten Mg(1,1,1)Li2Mg8Nb2 cuboctahedra; edges with two equivalent Li(1)Mg10Nb2 cuboctahedra; edges with two equivalent Mg(2)Li2Mg10 cuboctahedra; edges with two equivalent Mg(1)Li2Mg8Nb2 cuboctahedra; edges with four equivalent Mg(3)Li2Mg8Nb2 cuboctahedra; edges with four equivalent Mg(4)Mg10Nb2 cuboctahedra; edges with four equivalent Nb(1)Li2Mg10 cuboctahedra; faces with two equivalent Li(1)Mg10Nb2 cuboctahedra; faces with two equivalent Mg(2)Li2Mg10 cuboctahedra; faces with two equivalent Mg(4)Mg10Nb2 cuboctahedra; faces with two equivalent Nb(1)Li2Mg10 cuboctahedra; faces with four Mg(1,1)Li2Mg8Nb2 cuboctahedra; and faces with eight Mg(3,3)Li2Mg8Nb2 cuboctahedra. In the third Mg site, Mg(2) is bonded to two equivalent Li(1); two equivalent Mg(4); four Mg(1,1,1); and four equivalent Mg(3) atoms to form distorted MgLi2Mg10 cuboctahedra that share corners with four equivalent Li(1)Mg10Nb2 cuboctahedra; corners with six equivalent Mg(2)Li2Mg10 cuboctahedra; corners with eight Mg(1,1,1)Li2Mg8Nb2 cuboctahedra; edges with two equivalent Li(1)Mg10Nb2 cuboctahedra; edges with four Mg(1,1,1)Li2Mg8Nb2 cuboctahedra; edges with four equivalent Mg(4)Mg10Nb2 cuboctahedra; edges with eight Mg(3,3)Li2Mg8Nb2 cuboctahedra; faces with two equivalent Li(1)Mg10Nb2 cuboctahedra; faces with two equivalent Mg(2)Li2Mg10 cuboctahedra; faces with two equivalent Mg(4)Mg10Nb2 cuboctahedra; faces with four Mg(1,1,1)Li2Mg8Nb2 cuboctahedra; faces with four equivalent Mg(3)Li2Mg8Nb2 cuboctahedra; and faces with six equivalent Nb(1)Li2Mg10 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 Nb(1) atoms to form distorted MgLi2Mg8Nb2 cuboctahedra that share corners with four equivalent Mg(4)Mg10Nb2 cuboctahedra; corners with four equivalent Nb(1)Li2Mg10 cuboctahedra; corners with ten Mg(3,3)Li2Mg8Nb2 cuboctahedra; edges with two equivalent Mg(3)Li2Mg8Nb2 cuboctahedra; edges with two equivalent Mg(4)Mg10Nb2 cuboctahedra; edges with two equivalent Nb(1)Li2Mg10 cuboctahedra; edges with four equivalent Li(1)Mg10Nb2 cuboctahedra; edges with four equivalent Mg(2)Li2Mg10 cuboctahedra; edges with four equivalent Mg(1)Li2Mg8Nb2 cuboctahedra; faces with two equivalent Li(1)Mg10Nb2 cuboctahedra; faces with two equivalent Mg(2)Li2Mg10 cuboctahedra; faces with two equivalent Mg(4)Mg10Nb2 cuboctahedra; faces with two equivalent Nb(1)Li2Mg10 cuboctahedra; faces with four equivalent Mg(3)Li2Mg8Nb2 cuboctahedra; and faces with eight Mg(1,1)Li2Mg8Nb2 cuboctahedra. In the fifth Mg site, Mg(4) is bonded to two equivalent Mg(2); four Mg(1,1); four Mg(3,3); and two equivalent Nb(1) atoms to form MgMg10Nb2 cuboctahedra that share corners with four equivalent Nb(1)Li2Mg10 cuboctahedra; corners with six equivalent Mg(4)Mg10Nb2 cuboctahedra; corners with eight Mg(3,3)Li2Mg8Nb2 cuboctahedra; edges with two equivalent Nb(1)Li2Mg10 cuboctahedra; edges with four equivalent Mg(2)Li2Mg10 cuboctahedra; edges with four Mg(3,3)Li2Mg8Nb2 cuboctahedra; edges with eight Mg(1,1,1)Li2Mg8Nb2 cuboctahedra; faces with two equivalent Mg(2)Li2Mg10 cuboctahedra; faces with two equivalent Mg(4)Mg10Nb2 cuboctahedra; faces with two equivalent Nb(1)Li2Mg10 cuboctahedra; faces with four Mg(1,1)Li2Mg8Nb2 cuboctahedra; faces with four Mg(3,3)Li2Mg8Nb2 cuboctahedra; and faces with six equivalent Li(1)Mg10Nb2 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 Nb(1) atoms to form distorted MgLi2Mg8Nb2 cuboctahedra that share corners with four equivalent Li(1)Mg10Nb2 cuboctahedra; corners with four equivalent Mg(2)Li2Mg10 cuboctahedra; corners with ten Mg(1,1)Li2Mg8Nb2 cuboctahedra; edges with two equivalent Li(1)Mg10Nb2 cuboctahedra; edges with two equivalent Mg(2)Li2Mg10 cuboctahedra; edges with two equivalent Mg(1)Li2Mg8Nb2 cuboctahedra; edges with four equivalent Mg(3)Li2Mg8Nb2 cuboctahedra; edges with four equivalent Mg(4)Mg10Nb2 cuboctahedra; edges with four equivalent Nb(1)Li2Mg10 cuboctahedra; faces with two equivalent Li(1)Mg10Nb2 cuboctahedra; faces with two equivalent Mg(2)Li2Mg10 cuboctahedra; faces with two equivalent Mg(4)Mg10Nb2 cuboctahedra; faces with two equivalent Nb(1)Li2Mg10 cuboctahedra; faces with four Mg(1,1)Li2Mg8Nb2 cuboctahedra; and faces with eight Mg(3,3)Li2Mg8Nb2 cuboctahedra. In the seventh 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 Nb(1) atoms to form distorted MgLi2Mg8Nb2 cuboctahedra that share corners with four equivalent Mg(4)Mg10Nb2 cuboctahedra; corners with four equivalent Nb(1)Li2Mg10 cuboctahedra; corners with ten Mg(3,3)Li2Mg8Nb2 cuboctahedra; edges with two equivalent Mg(3)Li2Mg8Nb2 cuboctahedra; edges with two equivalent Mg(4)Mg10Nb2 cuboctahedra; edges with two equivalent Nb(1)Li2Mg10 cuboctahedra; edges with four equivalent Li(1)Mg10Nb2 cuboctahedra; edges with four equivalent Mg(2)Li2Mg10 cuboctahedra; edges with four equivalent Mg(1)Li2Mg8Nb2 cuboctahedra; faces with two equivalent Li(1)Mg10Nb2 cuboctahedra; faces with two equivalent Mg(2)Li2Mg10 cuboctahedra; faces with two equivalent Mg(4)Mg10Nb2 cuboctahedra; faces with two equivalent Nb(1)Li2Mg10 cuboctahedra; faces with four Mg(3,3)Li2Mg8Nb2 cuboctahedra; and faces with eight Mg(1,1,1)Li2Mg8Nb2 cuboctahedra. Nb(1) is bonded to two equivalent Li(1); two equivalent Mg(4); four Mg(1,1); and four Mg(3,3) atoms to form NbLi2Mg10 cuboctahedra that share corners with four equivalent Mg(4)Mg10Nb2 cuboctahedra; corners with six equivalent Nb(1)Li2Mg10 cuboctahedra; corners with eight Mg(3,3)Li2Mg8Nb2 cuboctahedra; edges with two equivalent Mg(4)Mg10Nb2 cuboctahedra; edges with four equivalent Li(1)Mg10Nb2 cuboctahedra; edges with four Mg(3,3)Li2Mg8Nb2 cuboctahedra; edges with eight Mg(1,1,1)Li2Mg8Nb2 cuboctahedra; faces with two equivalent Li(1)Mg10Nb2 cuboctahedra; faces with two equivalent Mg(4)Mg10Nb2 cuboctahedra; faces with two equivalent Nb(1)Li2Mg10 cuboctahedra; faces with four Mg(1,1)Li2Mg8Nb2 cuboctahedra; faces with four Mg(3,3)Li2Mg8Nb2 cuboctahedra; and faces with six equivalent Mg(2)Li2Mg10 cuboctahedra. is represented by the CIF card [CIF]
data_LiMg6Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.981
_cell_length_b   6.220
_cell_length_c   6.251
_cell_angle_alpha   119.838
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   167.983
_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  0.000  0.829  0.658  1.0
  Mg  Mg1  1  1.000  0.350  0.176  1.0
  Mg  Mg2  1  1.000  0.826  0.176  1.0
  Mg  Mg3  1  0.000  0.333  0.666  1.0
  Mg  Mg4  1  0.500  0.161  0.833  1.0
  Mg  Mg5  1  0.500  0.672  0.833  1.0
  Mg  Mg6  1  0.500  0.165  0.330  1.0
  Nb  Nb7  1  0.500  0.665  0.329  1.0
[/CIF]
.
The material structure described by LiMg6Nb is beta Cu3Ti-derived structured and crystallizes in the orthorhombic Amm2 space group. Li(1) is bonded to two equivalent Mg(2); four Mg(1,1,1); four equivalent Mg(3); and two equivalent Nb(1) atoms to form LiMg10Nb2 cuboctahedra that share corners with four equivalent Mg(2)Li2Mg10 cuboctahedra; corners with six equivalent Li(1)Mg10Nb2 cuboctahedra; corners with eight Mg(1,1,1)Li2Mg8Nb2 cuboctahedra; edges with two equivalent Mg(2)Li2Mg10 cuboctahedra; edges with four Mg(1,1,1)Li2Mg8Nb2 cuboctahedra; edges with four equivalent Nb(1)Li2Mg10 cuboctahedra; edges with eight Mg(3,3)Li2Mg8Nb2 cuboctahedra; faces with two equivalent Li(1)Mg10Nb2 cuboctahedra; faces with two equivalent Mg(2)Li2Mg10 cuboctahedra; faces with two equivalent Nb(1)Li2Mg10 cuboctahedra; faces with four Mg(1,1,1)Li2Mg8Nb2 cuboctahedra; faces with four equivalent Mg(3)Li2Mg8Nb2 cuboctahedra; and faces with six equivalent Mg(4)Mg10Nb2 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 Nb(1) atoms to form distorted MgLi2Mg8Nb2 cuboctahedra that share corners with four equivalent Li(1)Mg10Nb2 cuboctahedra; corners with four equivalent Mg(2)Li2Mg10 cuboctahedra; corners with ten Mg(1,1)Li2Mg8Nb2 cuboctahedra; edges with two equivalent Li(1)Mg10Nb2 cuboctahedra; edges with two equivalent Mg(2)Li2Mg10 cuboctahedra; edges with two equivalent Mg(1)Li2Mg8Nb2 cuboctahedra; edges with four equivalent Mg(3)Li2Mg8Nb2 cuboctahedra; edges with four equivalent Mg(4)Mg10Nb2 cuboctahedra; edges with four equivalent Nb(1)Li2Mg10 cuboctahedra; faces with two equivalent Li(1)Mg10Nb2 cuboctahedra; faces with two equivalent Mg(2)Li2Mg10 cuboctahedra; faces with two equivalent Mg(4)Mg10Nb2 cuboctahedra; faces with two equivalent Nb(1)Li2Mg10 cuboctahedra; faces with four Mg(1,1)Li2Mg8Nb2 cuboctahedra; and faces with eight Mg(3,3)Li2Mg8Nb2 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 Nb(1) atoms to form distorted MgLi2Mg8Nb2 cuboctahedra that share corners with four equivalent Li(1)Mg10Nb2 cuboctahedra; corners with four equivalent Mg(2)Li2Mg10 cuboctahedra; corners with ten Mg(1,1,1)Li2Mg8Nb2 cuboctahedra; edges with two equivalent Li(1)Mg10Nb2 cuboctahedra; edges with two equivalent Mg(2)Li2Mg10 cuboctahedra; edges with two equivalent Mg(1)Li2Mg8Nb2 cuboctahedra; edges with four equivalent Mg(3)Li2Mg8Nb2 cuboctahedra; edges with four equivalent Mg(4)Mg10Nb2 cuboctahedra; edges with four equivalent Nb(1)Li2Mg10 cuboctahedra; faces with two equivalent Li(1)Mg10Nb2 cuboctahedra; faces with two equivalent Mg(2)Li2Mg10 cuboctahedra; faces with two equivalent Mg(4)Mg10Nb2 cuboctahedra; faces with two equivalent Nb(1)Li2Mg10 cuboctahedra; faces with four Mg(1,1)Li2Mg8Nb2 cuboctahedra; and faces with eight Mg(3,3)Li2Mg8Nb2 cuboctahedra. In the third Mg site, Mg(2) is bonded to two equivalent Li(1); two equivalent Mg(4); four Mg(1,1,1); and four equivalent Mg(3) atoms to form distorted MgLi2Mg10 cuboctahedra that share corners with four equivalent Li(1)Mg10Nb2 cuboctahedra; corners with six equivalent Mg(2)Li2Mg10 cuboctahedra; corners with eight Mg(1,1,1)Li2Mg8Nb2 cuboctahedra; edges with two equivalent Li(1)Mg10Nb2 cuboctahedra; edges with four Mg(1,1,1)Li2Mg8Nb2 cuboctahedra; edges with four equivalent Mg(4)Mg10Nb2 cuboctahedra; edges with eight Mg(3,3)Li2Mg8Nb2 cuboctahedra; faces with two equivalent Li(1)Mg10Nb2 cuboctahedra; faces with two equivalent Mg(2)Li2Mg10 cuboctahedra; faces with two equivalent Mg(4)Mg10Nb2 cuboctahedra; faces with four Mg(1,1,1)Li2Mg8Nb2 cuboctahedra; faces with four equivalent Mg(3)Li2Mg8Nb2 cuboctahedra; and faces with six equivalent Nb(1)Li2Mg10 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 Nb(1) atoms to form distorted MgLi2Mg8Nb2 cuboctahedra that share corners with four equivalent Mg(4)Mg10Nb2 cuboctahedra; corners with four equivalent Nb(1)Li2Mg10 cuboctahedra; corners with ten Mg(3,3)Li2Mg8Nb2 cuboctahedra; edges with two equivalent Mg(3)Li2Mg8Nb2 cuboctahedra; edges with two equivalent Mg(4)Mg10Nb2 cuboctahedra; edges with two equivalent Nb(1)Li2Mg10 cuboctahedra; edges with four equivalent Li(1)Mg10Nb2 cuboctahedra; edges with four equivalent Mg(2)Li2Mg10 cuboctahedra; edges with four equivalent Mg(1)Li2Mg8Nb2 cuboctahedra; faces with two equivalent Li(1)Mg10Nb2 cuboctahedra; faces with two equivalent Mg(2)Li2Mg10 cuboctahedra; faces with two equivalent Mg(4)Mg10Nb2 cuboctahedra; faces with two equivalent Nb(1)Li2Mg10 cuboctahedra; faces with four equivalent Mg(3)Li2Mg8Nb2 cuboctahedra; and faces with eight Mg(1,1)Li2Mg8Nb2 cuboctahedra. In the fifth Mg site, Mg(4) is bonded to two equivalent Mg(2); four Mg(1,1); four Mg(3,3); and two equivalent Nb(1) atoms to form MgMg10Nb2 cuboctahedra that share corners with four equivalent Nb(1)Li2Mg10 cuboctahedra; corners with six equivalent Mg(4)Mg10Nb2 cuboctahedra; corners with eight Mg(3,3)Li2Mg8Nb2 cuboctahedra; edges with two equivalent Nb(1)Li2Mg10 cuboctahedra; edges with four equivalent Mg(2)Li2Mg10 cuboctahedra; edges with four Mg(3,3)Li2Mg8Nb2 cuboctahedra; edges with eight Mg(1,1,1)Li2Mg8Nb2 cuboctahedra; faces with two equivalent Mg(2)Li2Mg10 cuboctahedra; faces with two equivalent Mg(4)Mg10Nb2 cuboctahedra; faces with two equivalent Nb(1)Li2Mg10 cuboctahedra; faces with four Mg(1,1)Li2Mg8Nb2 cuboctahedra; faces with four Mg(3,3)Li2Mg8Nb2 cuboctahedra; and faces with six equivalent Li(1)Mg10Nb2 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 Nb(1) atoms to form distorted MgLi2Mg8Nb2 cuboctahedra that share corners with four equivalent Li(1)Mg10Nb2 cuboctahedra; corners with four equivalent Mg(2)Li2Mg10 cuboctahedra; corners with ten Mg(1,1)Li2Mg8Nb2 cuboctahedra; edges with two equivalent Li(1)Mg10Nb2 cuboctahedra; edges with two equivalent Mg(2)Li2Mg10 cuboctahedra; edges with two equivalent Mg(1)Li2Mg8Nb2 cuboctahedra; edges with four equivalent Mg(3)Li2Mg8Nb2 cuboctahedra; edges with four equivalent Mg(4)Mg10Nb2 cuboctahedra; edges with four equivalent Nb(1)Li2Mg10 cuboctahedra; faces with two equivalent Li(1)Mg10Nb2 cuboctahedra; faces with two equivalent Mg(2)Li2Mg10 cuboctahedra; faces with two equivalent Mg(4)Mg10Nb2 cuboctahedra; faces with two equivalent Nb(1)Li2Mg10 cuboctahedra; faces with four Mg(1,1)Li2Mg8Nb2 cuboctahedra; and faces with eight Mg(3,3)Li2Mg8Nb2 cuboctahedra. In the seventh 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 Nb(1) atoms to form distorted MgLi2Mg8Nb2 cuboctahedra that share corners with four equivalent Mg(4)Mg10Nb2 cuboctahedra; corners with four equivalent Nb(1)Li2Mg10 cuboctahedra; corners with ten Mg(3,3)Li2Mg8Nb2 cuboctahedra; edges with two equivalent Mg(3)Li2Mg8Nb2 cuboctahedra; edges with two equivalent Mg(4)Mg10Nb2 cuboctahedra; edges with two equivalent Nb(1)Li2Mg10 cuboctahedra; edges with four equivalent Li(1)Mg10Nb2 cuboctahedra; edges with four equivalent Mg(2)Li2Mg10 cuboctahedra; edges with four equivalent Mg(1)Li2Mg8Nb2 cuboctahedra; faces with two equivalent Li(1)Mg10Nb2 cuboctahedra; faces with two equivalent Mg(2)Li2Mg10 cuboctahedra; faces with two equivalent Mg(4)Mg10Nb2 cuboctahedra; faces with two equivalent Nb(1)Li2Mg10 cuboctahedra; faces with four Mg(3,3)Li2Mg8Nb2 cuboctahedra; and faces with eight Mg(1,1,1)Li2Mg8Nb2 cuboctahedra. Nb(1) is bonded to two equivalent Li(1); two equivalent Mg(4); four Mg(1,1); and four Mg(3,3) atoms to form NbLi2Mg10 cuboctahedra that share corners with four equivalent Mg(4)Mg10Nb2 cuboctahedra; corners with six equivalent Nb(1)Li2Mg10 cuboctahedra; corners with eight Mg(3,3)Li2Mg8Nb2 cuboctahedra; edges with two equivalent Mg(4)Mg10Nb2 cuboctahedra; edges with four equivalent Li(1)Mg10Nb2 cuboctahedra; edges with four Mg(3,3)Li2Mg8Nb2 cuboctahedra; edges with eight Mg(1,1,1)Li2Mg8Nb2 cuboctahedra; faces with two equivalent Li(1)Mg10Nb2 cuboctahedra; faces with two equivalent Mg(4)Mg10Nb2 cuboctahedra; faces with two equivalent Nb(1)Li2Mg10 cuboctahedra; faces with four Mg(1,1)Li2Mg8Nb2 cuboctahedra; faces with four Mg(3,3)Li2Mg8Nb2 cuboctahedra; and faces with six equivalent Mg(2)Li2Mg10 cuboctahedra. is represented by the CIF card [CIF]
data_LiMg6Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.981
_cell_length_b   6.220
_cell_length_c   6.251
_cell_angle_alpha   119.838
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   167.983
_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  0.000  0.829  0.658  1.0
  Mg  Mg1  1  1.000  0.350  0.176  1.0
  Mg  Mg2  1  1.000  0.826  0.176  1.0
  Mg  Mg3  1  0.000  0.333  0.666  1.0
  Mg  Mg4  1  0.500  0.161  0.833  1.0
  Mg  Mg5  1  0.500  0.672  0.833  1.0
  Mg  Mg6  1  0.500  0.165  0.330  1.0
  Nb  Nb7  1  0.500  0.665  0.329  1.0
[/CIF]
.