The material structure described by Mg3(VAl9)2 is beta-derived structured and crystallizes in the cubic Fd-3m space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 14-coordinate geometry to two equivalent Mg(2) and twelve equivalent Al(2) atoms. In the second Mg site, Mg(2) is bonded in a 16-coordinate geometry to four equivalent Mg(1) and twelve equivalent Al(2) atoms. V(1) is bonded to six equivalent Al(1) and six equivalent Al(2) atoms to form VAl12 cuboctahedra that share corners with six equivalent V(1)Al12 cuboctahedra, edges with eighteen equivalent Al(2)Mg3Al8V cuboctahedra, and faces with six equivalent Al(2)Mg3Al8V cuboctahedra. There are two inequivalent Al sites. In the first Al site, Al(2) is bonded to one Mg(2), two equivalent Mg(1), one V(1), three equivalent Al(1), and five equivalent Al(2) atoms to form AlMg3Al8V cuboctahedra that share corners with fifteen equivalent Al(2)Mg3Al8V cuboctahedra, edges with two equivalent Al(2)Mg3Al8V cuboctahedra, edges with three equivalent V(1)Al12 cuboctahedra,  a faceface with one V(1)Al12 cuboctahedra, and faces with fifteen equivalent Al(2)Mg3Al8V cuboctahedra. In the second Al site, Al(1) is bonded in a 12-coordinate geometry to two equivalent V(1), four equivalent Al(1), and six equivalent Al(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg3(Al9V)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.228
_cell_length_b   10.228
_cell_length_c   10.228
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   756.580
_cell_formula_units_Z   2
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  0.125  0.625  0.625  1.0
  Mg  Mg1  1  0.625  0.125  0.625  1.0
  Mg  Mg2  1  0.625  0.625  0.125  1.0
  Mg  Mg3  1  0.625  0.625  0.625  1.0
  Mg  Mg4  1  0.500  0.500  0.500  1.0
  Mg  Mg5  1  0.750  0.750  0.750  1.0
  Al  Al6  1  0.861  0.861  0.139  1.0
  Al  Al7  1  0.139  0.139  0.861  1.0
  Al  Al8  1  0.861  0.139  0.861  1.0
  Al  Al9  1  0.139  0.861  0.139  1.0
  Al  Al10  1  0.139  0.861  0.861  1.0
  Al  Al11  1  0.861  0.139  0.139  1.0
  Al  Al12  1  0.389  0.389  0.111  1.0
  Al  Al13  1  0.111  0.111  0.389  1.0
  Al  Al14  1  0.389  0.111  0.389  1.0
  Al  Al15  1  0.111  0.389  0.111  1.0
  Al  Al16  1  0.111  0.389  0.389  1.0
  Al  Al17  1  0.389  0.111  0.111  1.0
  Al  Al18  1  0.568  0.299  0.299  1.0
  Al  Al19  1  0.299  0.568  0.834  1.0
  Al  Al20  1  0.299  0.834  0.568  1.0
  Al  Al21  1  0.834  0.299  0.299  1.0
  Al  Al22  1  0.299  0.299  0.568  1.0
  Al  Al23  1  0.568  0.834  0.299  1.0
  Al  Al24  1  0.834  0.568  0.299  1.0
  Al  Al25  1  0.299  0.299  0.834  1.0
  Al  Al26  1  0.299  0.568  0.299  1.0
  Al  Al27  1  0.834  0.299  0.568  1.0
  Al  Al28  1  0.568  0.299  0.834  1.0
  Al  Al29  1  0.299  0.834  0.299  1.0
  Al  Al30  1  0.682  0.951  0.951  1.0
  Al  Al31  1  0.951  0.682  0.416  1.0
  Al  Al32  1  0.951  0.416  0.682  1.0
  Al  Al33  1  0.416  0.951  0.951  1.0
  Al  Al34  1  0.951  0.951  0.682  1.0
  Al  Al35  1  0.682  0.416  0.951  1.0
  Al  Al36  1  0.416  0.682  0.951  1.0
  Al  Al37  1  0.951  0.951  0.416  1.0
  Al  Al38  1  0.951  0.682  0.951  1.0
  Al  Al39  1  0.416  0.951  0.682  1.0
  Al  Al40  1  0.682  0.951  0.416  1.0
  Al  Al41  1  0.951  0.416  0.951  1.0
  V  V42  1  0.625  0.125  0.125  1.0
  V  V43  1  0.125  0.625  0.125  1.0
  V  V44  1  0.125  0.125  0.625  1.0
  V  V45  1  0.125  0.125  0.125  1.0
[/CIF]
.
The material structure described by Mg3(VAl9)2 is beta-derived structured and crystallizes in the cubic Fd-3m space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 14-coordinate geometry to two equivalent Mg(2) and twelve equivalent Al(2) atoms. In the second Mg site, Mg(2) is bonded in a 16-coordinate geometry to four equivalent Mg(1) and twelve equivalent Al(2) atoms. V(1) is bonded to six equivalent Al(1) and six equivalent Al(2) atoms to form VAl12 cuboctahedra that share corners with six equivalent V(1)Al12 cuboctahedra, edges with eighteen equivalent Al(2)Mg3Al8V cuboctahedra, and faces with six equivalent Al(2)Mg3Al8V cuboctahedra. There are two inequivalent Al sites. In the first Al site, Al(2) is bonded to one Mg(2), two equivalent Mg(1), one V(1), three equivalent Al(1), and five equivalent Al(2) atoms to form AlMg3Al8V cuboctahedra that share corners with fifteen equivalent Al(2)Mg3Al8V cuboctahedra, edges with two equivalent Al(2)Mg3Al8V cuboctahedra, edges with three equivalent V(1)Al12 cuboctahedra,  a faceface with one V(1)Al12 cuboctahedra, and faces with fifteen equivalent Al(2)Mg3Al8V cuboctahedra. In the second Al site, Al(1) is bonded in a 12-coordinate geometry to two equivalent V(1), four equivalent Al(1), and six equivalent Al(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg3(Al9V)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.228
_cell_length_b   10.228
_cell_length_c   10.228
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   756.580
_cell_formula_units_Z   2
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  0.125  0.625  0.625  1.0
  Mg  Mg1  1  0.625  0.125  0.625  1.0
  Mg  Mg2  1  0.625  0.625  0.125  1.0
  Mg  Mg3  1  0.625  0.625  0.625  1.0
  Mg  Mg4  1  0.500  0.500  0.500  1.0
  Mg  Mg5  1  0.750  0.750  0.750  1.0
  Al  Al6  1  0.861  0.861  0.139  1.0
  Al  Al7  1  0.139  0.139  0.861  1.0
  Al  Al8  1  0.861  0.139  0.861  1.0
  Al  Al9  1  0.139  0.861  0.139  1.0
  Al  Al10  1  0.139  0.861  0.861  1.0
  Al  Al11  1  0.861  0.139  0.139  1.0
  Al  Al12  1  0.389  0.389  0.111  1.0
  Al  Al13  1  0.111  0.111  0.389  1.0
  Al  Al14  1  0.389  0.111  0.389  1.0
  Al  Al15  1  0.111  0.389  0.111  1.0
  Al  Al16  1  0.111  0.389  0.389  1.0
  Al  Al17  1  0.389  0.111  0.111  1.0
  Al  Al18  1  0.568  0.299  0.299  1.0
  Al  Al19  1  0.299  0.568  0.834  1.0
  Al  Al20  1  0.299  0.834  0.568  1.0
  Al  Al21  1  0.834  0.299  0.299  1.0
  Al  Al22  1  0.299  0.299  0.568  1.0
  Al  Al23  1  0.568  0.834  0.299  1.0
  Al  Al24  1  0.834  0.568  0.299  1.0
  Al  Al25  1  0.299  0.299  0.834  1.0
  Al  Al26  1  0.299  0.568  0.299  1.0
  Al  Al27  1  0.834  0.299  0.568  1.0
  Al  Al28  1  0.568  0.299  0.834  1.0
  Al  Al29  1  0.299  0.834  0.299  1.0
  Al  Al30  1  0.682  0.951  0.951  1.0
  Al  Al31  1  0.951  0.682  0.416  1.0
  Al  Al32  1  0.951  0.416  0.682  1.0
  Al  Al33  1  0.416  0.951  0.951  1.0
  Al  Al34  1  0.951  0.951  0.682  1.0
  Al  Al35  1  0.682  0.416  0.951  1.0
  Al  Al36  1  0.416  0.682  0.951  1.0
  Al  Al37  1  0.951  0.951  0.416  1.0
  Al  Al38  1  0.951  0.682  0.951  1.0
  Al  Al39  1  0.416  0.951  0.682  1.0
  Al  Al40  1  0.682  0.951  0.416  1.0
  Al  Al41  1  0.951  0.416  0.951  1.0
  V  V42  1  0.625  0.125  0.125  1.0
  V  V43  1  0.125  0.625  0.125  1.0
  V  V44  1  0.125  0.125  0.625  1.0
  V  V45  1  0.125  0.125  0.125  1.0
[/CIF]
.