The compound described by Mg6VSb is beta Cu3Ti-derived structured and crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent V(1), and two equivalent Sb(1) atoms to form distorted MgMg8V2Sb2 cuboctahedra that share corners with four equivalent Mg(2)Mg10V2 cuboctahedra, corners with four equivalent V(1)Mg10Sb2 cuboctahedra, corners with ten equivalent Mg(1)Mg8V2Sb2 cuboctahedra, edges with two equivalent Mg(2)Mg10V2 cuboctahedra, edges with two equivalent Mg(1)Mg8V2Sb2 cuboctahedra, edges with two equivalent V(1)Mg10Sb2 cuboctahedra, edges with four equivalent Mg(4)Mg10Sb2 cuboctahedra, edges with four equivalent Sb(1)Mg10V2 cuboctahedra, faces with two equivalent Mg(4)Mg10Sb2 cuboctahedra, faces with two equivalent Mg(2)Mg10V2 cuboctahedra, faces with two equivalent V(1)Mg10Sb2 cuboctahedra, faces with two equivalent Sb(1)Mg10V2 cuboctahedra, and faces with four equivalent Mg(1)Mg8V2Sb2 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent V(1) atoms to form MgMg10V2 cuboctahedra that share corners with four equivalent V(1)Mg10Sb2 cuboctahedra, corners with six equivalent Mg(2)Mg10V2 cuboctahedra, corners with eight equivalent Mg(1)Mg8V2Sb2 cuboctahedra, edges with two equivalent V(1)Mg10Sb2 cuboctahedra, edges with four equivalent Mg(4)Mg10Sb2 cuboctahedra, edges with four equivalent Mg(1)Mg8V2Sb2 cuboctahedra, faces with two equivalent Mg(4)Mg10Sb2 cuboctahedra, faces with two equivalent Mg(2)Mg10V2 cuboctahedra, faces with two equivalent V(1)Mg10Sb2 cuboctahedra, faces with four equivalent Mg(1)Mg8V2Sb2 cuboctahedra, and faces with six equivalent Sb(1)Mg10V2 cuboctahedra. In the third Mg site, Mg(3) is bonded in a 12-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent V(1), and two equivalent Sb(1) atoms. In the fourth Mg site, Mg(4) is bonded to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Sb(1) atoms to form distorted MgMg10Sb2 cuboctahedra that share corners with four equivalent Sb(1)Mg10V2 cuboctahedra, corners with six equivalent Mg(4)Mg10Sb2 cuboctahedra, edges with two equivalent Sb(1)Mg10V2 cuboctahedra, edges with four equivalent Mg(2)Mg10V2 cuboctahedra, edges with eight equivalent Mg(1)Mg8V2Sb2 cuboctahedra, faces with two equivalent Mg(4)Mg10Sb2 cuboctahedra, faces with two equivalent Mg(2)Mg10V2 cuboctahedra, faces with two equivalent Sb(1)Mg10V2 cuboctahedra, faces with four equivalent Mg(1)Mg8V2Sb2 cuboctahedra, and faces with six equivalent V(1)Mg10Sb2 cuboctahedra. V(1) is bonded to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Sb(1) atoms to form VMg10Sb2 cuboctahedra that share corners with four equivalent Mg(2)Mg10V2 cuboctahedra, corners with six equivalent V(1)Mg10Sb2 cuboctahedra, corners with eight equivalent Mg(1)Mg8V2Sb2 cuboctahedra, edges with two equivalent Mg(2)Mg10V2 cuboctahedra, edges with four equivalent Mg(1)Mg8V2Sb2 cuboctahedra, edges with four equivalent Sb(1)Mg10V2 cuboctahedra, faces with two equivalent Mg(2)Mg10V2 cuboctahedra, faces with two equivalent V(1)Mg10Sb2 cuboctahedra, faces with two equivalent Sb(1)Mg10V2 cuboctahedra, faces with four equivalent Mg(1)Mg8V2Sb2 cuboctahedra, and faces with six equivalent Mg(4)Mg10Sb2 cuboctahedra. Sb(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent V(1) atoms to form SbMg10V2 cuboctahedra that share corners with four equivalent Mg(4)Mg10Sb2 cuboctahedra, corners with six equivalent Sb(1)Mg10V2 cuboctahedra, edges with two equivalent Mg(4)Mg10Sb2 cuboctahedra, edges with four equivalent V(1)Mg10Sb2 cuboctahedra, edges with eight equivalent Mg(1)Mg8V2Sb2 cuboctahedra, faces with two equivalent Mg(4)Mg10Sb2 cuboctahedra, faces with two equivalent V(1)Mg10Sb2 cuboctahedra, faces with two equivalent Sb(1)Mg10V2 cuboctahedra, faces with four equivalent Mg(1)Mg8V2Sb2 cuboctahedra, and faces with six equivalent Mg(2)Mg10V2 cuboctahedra. is represented by the CIF card [CIF]
data_Mg6VSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.025
_cell_length_b   6.241
_cell_length_c   6.241
_cell_angle_alpha   118.081
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   172.677
_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
  Mg  Mg0  1  1.000  0.673  0.836  1.0
  Mg  Mg1  1  0.000  0.164  0.327  1.0
  Mg  Mg2  1  0.000  0.665  0.335  1.0
  Mg  Mg3  1  0.500  0.840  0.668  1.0
  Mg  Mg4  1  0.500  0.332  0.160  1.0
  Mg  Mg5  1  0.500  0.832  0.168  1.0
  Sb  Sb6  1  0.500  0.326  0.674  1.0
  V  V7  1  0.000  0.168  0.832  1.0
[/CIF]
.
The compound described by Mg6VSb is beta Cu3Ti-derived structured and crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent V(1), and two equivalent Sb(1) atoms to form distorted MgMg8V2Sb2 cuboctahedra that share corners with four equivalent Mg(2)Mg10V2 cuboctahedra, corners with four equivalent V(1)Mg10Sb2 cuboctahedra, corners with ten equivalent Mg(1)Mg8V2Sb2 cuboctahedra, edges with two equivalent Mg(2)Mg10V2 cuboctahedra, edges with two equivalent Mg(1)Mg8V2Sb2 cuboctahedra, edges with two equivalent V(1)Mg10Sb2 cuboctahedra, edges with four equivalent Mg(4)Mg10Sb2 cuboctahedra, edges with four equivalent Sb(1)Mg10V2 cuboctahedra, faces with two equivalent Mg(4)Mg10Sb2 cuboctahedra, faces with two equivalent Mg(2)Mg10V2 cuboctahedra, faces with two equivalent V(1)Mg10Sb2 cuboctahedra, faces with two equivalent Sb(1)Mg10V2 cuboctahedra, and faces with four equivalent Mg(1)Mg8V2Sb2 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent V(1) atoms to form MgMg10V2 cuboctahedra that share corners with four equivalent V(1)Mg10Sb2 cuboctahedra, corners with six equivalent Mg(2)Mg10V2 cuboctahedra, corners with eight equivalent Mg(1)Mg8V2Sb2 cuboctahedra, edges with two equivalent V(1)Mg10Sb2 cuboctahedra, edges with four equivalent Mg(4)Mg10Sb2 cuboctahedra, edges with four equivalent Mg(1)Mg8V2Sb2 cuboctahedra, faces with two equivalent Mg(4)Mg10Sb2 cuboctahedra, faces with two equivalent Mg(2)Mg10V2 cuboctahedra, faces with two equivalent V(1)Mg10Sb2 cuboctahedra, faces with four equivalent Mg(1)Mg8V2Sb2 cuboctahedra, and faces with six equivalent Sb(1)Mg10V2 cuboctahedra. In the third Mg site, Mg(3) is bonded in a 12-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent V(1), and two equivalent Sb(1) atoms. In the fourth Mg site, Mg(4) is bonded to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Sb(1) atoms to form distorted MgMg10Sb2 cuboctahedra that share corners with four equivalent Sb(1)Mg10V2 cuboctahedra, corners with six equivalent Mg(4)Mg10Sb2 cuboctahedra, edges with two equivalent Sb(1)Mg10V2 cuboctahedra, edges with four equivalent Mg(2)Mg10V2 cuboctahedra, edges with eight equivalent Mg(1)Mg8V2Sb2 cuboctahedra, faces with two equivalent Mg(4)Mg10Sb2 cuboctahedra, faces with two equivalent Mg(2)Mg10V2 cuboctahedra, faces with two equivalent Sb(1)Mg10V2 cuboctahedra, faces with four equivalent Mg(1)Mg8V2Sb2 cuboctahedra, and faces with six equivalent V(1)Mg10Sb2 cuboctahedra. V(1) is bonded to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Sb(1) atoms to form VMg10Sb2 cuboctahedra that share corners with four equivalent Mg(2)Mg10V2 cuboctahedra, corners with six equivalent V(1)Mg10Sb2 cuboctahedra, corners with eight equivalent Mg(1)Mg8V2Sb2 cuboctahedra, edges with two equivalent Mg(2)Mg10V2 cuboctahedra, edges with four equivalent Mg(1)Mg8V2Sb2 cuboctahedra, edges with four equivalent Sb(1)Mg10V2 cuboctahedra, faces with two equivalent Mg(2)Mg10V2 cuboctahedra, faces with two equivalent V(1)Mg10Sb2 cuboctahedra, faces with two equivalent Sb(1)Mg10V2 cuboctahedra, faces with four equivalent Mg(1)Mg8V2Sb2 cuboctahedra, and faces with six equivalent Mg(4)Mg10Sb2 cuboctahedra. Sb(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent V(1) atoms to form SbMg10V2 cuboctahedra that share corners with four equivalent Mg(4)Mg10Sb2 cuboctahedra, corners with six equivalent Sb(1)Mg10V2 cuboctahedra, edges with two equivalent Mg(4)Mg10Sb2 cuboctahedra, edges with four equivalent V(1)Mg10Sb2 cuboctahedra, edges with eight equivalent Mg(1)Mg8V2Sb2 cuboctahedra, faces with two equivalent Mg(4)Mg10Sb2 cuboctahedra, faces with two equivalent V(1)Mg10Sb2 cuboctahedra, faces with two equivalent Sb(1)Mg10V2 cuboctahedra, faces with four equivalent Mg(1)Mg8V2Sb2 cuboctahedra, and faces with six equivalent Mg(2)Mg10V2 cuboctahedra. is represented by the CIF card [CIF]
data_Mg6VSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.025
_cell_length_b   6.241
_cell_length_c   6.241
_cell_angle_alpha   118.081
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   172.677
_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
  Mg  Mg0  1  1.000  0.673  0.836  1.0
  Mg  Mg1  1  0.000  0.164  0.327  1.0
  Mg  Mg2  1  0.000  0.665  0.335  1.0
  Mg  Mg3  1  0.500  0.840  0.668  1.0
  Mg  Mg4  1  0.500  0.332  0.160  1.0
  Mg  Mg5  1  0.500  0.832  0.168  1.0
  Sb  Sb6  1  0.500  0.326  0.674  1.0
  V  V7  1  0.000  0.168  0.832  1.0
[/CIF]
.