The material structure described by Mg6AlSb crystallizes in the orthorhombic Amm2 space group. There are six 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 Al(1), and two equivalent Sb(1) atoms to form distorted MgMg8Al2Sb2 cuboctahedra that share corners with four equivalent Al(1)Mg10Sb2 cuboctahedra; corners with four equivalent Sb(1)Mg10Al2 cuboctahedra; corners with ten Mg(1,1)Mg8Al2Sb2 cuboctahedra; edges with two equivalent Mg(1)Mg8Al2Sb2 cuboctahedra; edges with two equivalent Al(1)Mg10Sb2 cuboctahedra; edges with two equivalent Sb(1)Mg10Al2 cuboctahedra; edges with four equivalent Mg(3)Mg10Al2 cuboctahedra; edges with four equivalent Mg(4)Mg10Sb2 cuboctahedra; edges with four equivalent Mg(2)Mg8Al2Sb2 cuboctahedra; faces with two equivalent Mg(3)Mg10Al2 cuboctahedra; faces with two equivalent Mg(4)Mg10Sb2 cuboctahedra; faces with two equivalent Al(1)Mg10Sb2 cuboctahedra; faces with two equivalent Sb(1)Mg10Al2 cuboctahedra; faces with four equivalent Mg(1)Mg8Al2Sb2 cuboctahedra; and faces with eight Mg(2,2)Mg8Al2Sb2 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Al(1), and two equivalent Sb(1) atoms to form distorted MgMg8Al2Sb2 cuboctahedra that share corners with four equivalent Mg(3)Mg10Al2 cuboctahedra; corners with four equivalent Mg(4)Mg10Sb2 cuboctahedra; corners with ten Mg(2,2)Mg8Al2Sb2 cuboctahedra; edges with two equivalent Mg(3)Mg10Al2 cuboctahedra; edges with two equivalent Mg(4)Mg10Sb2 cuboctahedra; edges with two equivalent Mg(2)Mg8Al2Sb2 cuboctahedra; edges with four equivalent Mg(1)Mg8Al2Sb2 cuboctahedra; edges with four equivalent Al(1)Mg10Sb2 cuboctahedra; edges with four equivalent Sb(1)Mg10Al2 cuboctahedra; faces with two equivalent Mg(3)Mg10Al2 cuboctahedra; faces with two equivalent Mg(4)Mg10Sb2 cuboctahedra; faces with two equivalent Al(1)Mg10Sb2 cuboctahedra; faces with two equivalent Sb(1)Mg10Al2 cuboctahedra; faces with four Mg(2,2)Mg8Al2Sb2 cuboctahedra; and faces with eight equivalent Mg(1)Mg8Al2Sb2 cuboctahedra. In the third Mg site, Mg(2) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Al(1), and two equivalent Sb(1) atoms to form distorted MgMg8Al2Sb2 cuboctahedra that share corners with four equivalent Mg(3)Mg10Al2 cuboctahedra; corners with four equivalent Mg(4)Mg10Sb2 cuboctahedra; corners with ten Mg(2,2)Mg8Al2Sb2 cuboctahedra; edges with two equivalent Mg(3)Mg10Al2 cuboctahedra; edges with two equivalent Mg(4)Mg10Sb2 cuboctahedra; edges with two equivalent Mg(2)Mg8Al2Sb2 cuboctahedra; edges with four equivalent Mg(1)Mg8Al2Sb2 cuboctahedra; edges with four equivalent Al(1)Mg10Sb2 cuboctahedra; edges with four equivalent Sb(1)Mg10Al2 cuboctahedra; faces with two equivalent Mg(3)Mg10Al2 cuboctahedra; faces with two equivalent Mg(4)Mg10Sb2 cuboctahedra; faces with two equivalent Al(1)Mg10Sb2 cuboctahedra; faces with two equivalent Sb(1)Mg10Al2 cuboctahedra; faces with four Mg(2,2)Mg8Al2Sb2 cuboctahedra; and faces with eight Mg(1,1)Mg8Al2Sb2 cuboctahedra. In the fourth Mg site, Mg(3) is bonded to two equivalent Mg(4); four equivalent Mg(1); four Mg(2,2); and two equivalent Al(1) atoms to form MgMg10Al2 cuboctahedra that share corners with four equivalent Mg(4)Mg10Sb2 cuboctahedra; corners with six equivalent Mg(3)Mg10Al2 cuboctahedra; corners with eight Mg(2,2)Mg8Al2Sb2 cuboctahedra; edges with two equivalent Mg(4)Mg10Sb2 cuboctahedra; edges with four Mg(2,2)Mg8Al2Sb2 cuboctahedra; edges with four equivalent Al(1)Mg10Sb2 cuboctahedra; edges with eight Mg(1,1)Mg8Al2Sb2 cuboctahedra; faces with two equivalent Mg(3)Mg10Al2 cuboctahedra; faces with two equivalent Mg(4)Mg10Sb2 cuboctahedra; faces with two equivalent Al(1)Mg10Sb2 cuboctahedra; faces with four equivalent Mg(1)Mg8Al2Sb2 cuboctahedra; faces with four Mg(2,2)Mg8Al2Sb2 cuboctahedra; and faces with six equivalent Sb(1)Mg10Al2 cuboctahedra. In the fifth Mg site, Mg(4) is bonded to two equivalent Mg(3); four Mg(1,1); four Mg(2,2); and two equivalent Sb(1) atoms to form distorted MgMg10Sb2 cuboctahedra that share corners with four equivalent Mg(3)Mg10Al2 cuboctahedra; corners with six equivalent Mg(4)Mg10Sb2 cuboctahedra; corners with eight Mg(2,2)Mg8Al2Sb2 cuboctahedra; edges with two equivalent Mg(3)Mg10Al2 cuboctahedra; edges with four Mg(2,2)Mg8Al2Sb2 cuboctahedra; edges with four equivalent Sb(1)Mg10Al2 cuboctahedra; edges with eight Mg(1,1)Mg8Al2Sb2 cuboctahedra; faces with two equivalent Mg(3)Mg10Al2 cuboctahedra; faces with two equivalent Mg(4)Mg10Sb2 cuboctahedra; faces with two equivalent Sb(1)Mg10Al2 cuboctahedra; faces with four Mg(1,1)Mg8Al2Sb2 cuboctahedra; faces with four Mg(2,2)Mg8Al2Sb2 cuboctahedra; and faces with six equivalent Al(1)Mg10Sb2 cuboctahedra. In the sixth 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 Al(1), and two equivalent Sb(1) atoms to form distorted MgMg8Al2Sb2 cuboctahedra that share corners with four equivalent Al(1)Mg10Sb2 cuboctahedra; corners with four equivalent Sb(1)Mg10Al2 cuboctahedra; corners with ten Mg(1,1)Mg8Al2Sb2 cuboctahedra; edges with two equivalent Mg(1)Mg8Al2Sb2 cuboctahedra; edges with two equivalent Al(1)Mg10Sb2 cuboctahedra; edges with two equivalent Sb(1)Mg10Al2 cuboctahedra; edges with four equivalent Mg(3)Mg10Al2 cuboctahedra; edges with four equivalent Mg(4)Mg10Sb2 cuboctahedra; edges with four equivalent Mg(2)Mg8Al2Sb2 cuboctahedra; faces with two equivalent Mg(3)Mg10Al2 cuboctahedra; faces with two equivalent Mg(4)Mg10Sb2 cuboctahedra; faces with two equivalent Al(1)Mg10Sb2 cuboctahedra; faces with two equivalent Sb(1)Mg10Al2 cuboctahedra; faces with four Mg(1,1)Mg8Al2Sb2 cuboctahedra; and faces with eight Mg(2,2)Mg8Al2Sb2 cuboctahedra. Al(1) is bonded to two equivalent Mg(3); four Mg(1,1); four equivalent Mg(2); and two equivalent Sb(1) atoms to form AlMg10Sb2 cuboctahedra that share corners with four equivalent Sb(1)Mg10Al2 cuboctahedra; corners with six equivalent Al(1)Mg10Sb2 cuboctahedra; corners with eight Mg(1,1)Mg8Al2Sb2 cuboctahedra; edges with two equivalent Sb(1)Mg10Al2 cuboctahedra; edges with four equivalent Mg(3)Mg10Al2 cuboctahedra; edges with four Mg(1,1)Mg8Al2Sb2 cuboctahedra; edges with eight Mg(2,2)Mg8Al2Sb2 cuboctahedra; faces with two equivalent Mg(3)Mg10Al2 cuboctahedra; faces with two equivalent Al(1)Mg10Sb2 cuboctahedra; faces with two equivalent Sb(1)Mg10Al2 cuboctahedra; faces with four Mg(1,1)Mg8Al2Sb2 cuboctahedra; faces with four equivalent Mg(2)Mg8Al2Sb2 cuboctahedra; and faces with six equivalent Mg(4)Mg10Sb2 cuboctahedra. Sb(1) is bonded to two equivalent Mg(4); four Mg(1,1); four Mg(2,2); and two equivalent Al(1) atoms to form SbMg10Al2 cuboctahedra that share corners with four equivalent Al(1)Mg10Sb2 cuboctahedra; corners with six equivalent Sb(1)Mg10Al2 cuboctahedra; corners with eight Mg(1,1)Mg8Al2Sb2 cuboctahedra; edges with two equivalent Al(1)Mg10Sb2 cuboctahedra; edges with four equivalent Mg(4)Mg10Sb2 cuboctahedra; edges with four Mg(1,1)Mg8Al2Sb2 cuboctahedra; edges with eight Mg(2,2)Mg8Al2Sb2 cuboctahedra; faces with two equivalent Mg(4)Mg10Sb2 cuboctahedra; faces with two equivalent Al(1)Mg10Sb2 cuboctahedra; faces with two equivalent Sb(1)Mg10Al2 cuboctahedra; faces with four Mg(1,1)Mg8Al2Sb2 cuboctahedra; faces with four Mg(2,2)Mg8Al2Sb2 cuboctahedra; and faces with six equivalent Mg(3)Mg10Al2 cuboctahedra. is represented by the CIF file [CIF]
data_Mg6AlSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.235
_cell_length_b   6.242
_cell_length_c   6.242
_cell_angle_alpha   118.620
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   179.033
_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
  Al  Al0  1  0.500  0.168  0.832  1.0
  Mg  Mg1  1  0.500  0.167  0.334  1.0
  Mg  Mg2  1  0.500  0.666  0.833  1.0
  Mg  Mg3  1  0.000  0.329  0.161  1.0
  Mg  Mg4  1  0.000  0.839  0.671  1.0
  Mg  Mg5  1  0.000  0.331  0.669  1.0
  Mg  Mg6  1  0.000  0.834  0.166  1.0
  Sb  Sb7  1  0.500  0.667  0.333  1.0
[/CIF]
.
The material structure described by Mg6AlSb crystallizes in the orthorhombic Amm2 space group. There are six 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 Al(1), and two equivalent Sb(1) atoms to form distorted MgMg8Al2Sb2 cuboctahedra that share corners with four equivalent Al(1)Mg10Sb2 cuboctahedra; corners with four equivalent Sb(1)Mg10Al2 cuboctahedra; corners with ten Mg(1,1)Mg8Al2Sb2 cuboctahedra; edges with two equivalent Mg(1)Mg8Al2Sb2 cuboctahedra; edges with two equivalent Al(1)Mg10Sb2 cuboctahedra; edges with two equivalent Sb(1)Mg10Al2 cuboctahedra; edges with four equivalent Mg(3)Mg10Al2 cuboctahedra; edges with four equivalent Mg(4)Mg10Sb2 cuboctahedra; edges with four equivalent Mg(2)Mg8Al2Sb2 cuboctahedra; faces with two equivalent Mg(3)Mg10Al2 cuboctahedra; faces with two equivalent Mg(4)Mg10Sb2 cuboctahedra; faces with two equivalent Al(1)Mg10Sb2 cuboctahedra; faces with two equivalent Sb(1)Mg10Al2 cuboctahedra; faces with four equivalent Mg(1)Mg8Al2Sb2 cuboctahedra; and faces with eight Mg(2,2)Mg8Al2Sb2 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Al(1), and two equivalent Sb(1) atoms to form distorted MgMg8Al2Sb2 cuboctahedra that share corners with four equivalent Mg(3)Mg10Al2 cuboctahedra; corners with four equivalent Mg(4)Mg10Sb2 cuboctahedra; corners with ten Mg(2,2)Mg8Al2Sb2 cuboctahedra; edges with two equivalent Mg(3)Mg10Al2 cuboctahedra; edges with two equivalent Mg(4)Mg10Sb2 cuboctahedra; edges with two equivalent Mg(2)Mg8Al2Sb2 cuboctahedra; edges with four equivalent Mg(1)Mg8Al2Sb2 cuboctahedra; edges with four equivalent Al(1)Mg10Sb2 cuboctahedra; edges with four equivalent Sb(1)Mg10Al2 cuboctahedra; faces with two equivalent Mg(3)Mg10Al2 cuboctahedra; faces with two equivalent Mg(4)Mg10Sb2 cuboctahedra; faces with two equivalent Al(1)Mg10Sb2 cuboctahedra; faces with two equivalent Sb(1)Mg10Al2 cuboctahedra; faces with four Mg(2,2)Mg8Al2Sb2 cuboctahedra; and faces with eight equivalent Mg(1)Mg8Al2Sb2 cuboctahedra. In the third Mg site, Mg(2) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Al(1), and two equivalent Sb(1) atoms to form distorted MgMg8Al2Sb2 cuboctahedra that share corners with four equivalent Mg(3)Mg10Al2 cuboctahedra; corners with four equivalent Mg(4)Mg10Sb2 cuboctahedra; corners with ten Mg(2,2)Mg8Al2Sb2 cuboctahedra; edges with two equivalent Mg(3)Mg10Al2 cuboctahedra; edges with two equivalent Mg(4)Mg10Sb2 cuboctahedra; edges with two equivalent Mg(2)Mg8Al2Sb2 cuboctahedra; edges with four equivalent Mg(1)Mg8Al2Sb2 cuboctahedra; edges with four equivalent Al(1)Mg10Sb2 cuboctahedra; edges with four equivalent Sb(1)Mg10Al2 cuboctahedra; faces with two equivalent Mg(3)Mg10Al2 cuboctahedra; faces with two equivalent Mg(4)Mg10Sb2 cuboctahedra; faces with two equivalent Al(1)Mg10Sb2 cuboctahedra; faces with two equivalent Sb(1)Mg10Al2 cuboctahedra; faces with four Mg(2,2)Mg8Al2Sb2 cuboctahedra; and faces with eight Mg(1,1)Mg8Al2Sb2 cuboctahedra. In the fourth Mg site, Mg(3) is bonded to two equivalent Mg(4); four equivalent Mg(1); four Mg(2,2); and two equivalent Al(1) atoms to form MgMg10Al2 cuboctahedra that share corners with four equivalent Mg(4)Mg10Sb2 cuboctahedra; corners with six equivalent Mg(3)Mg10Al2 cuboctahedra; corners with eight Mg(2,2)Mg8Al2Sb2 cuboctahedra; edges with two equivalent Mg(4)Mg10Sb2 cuboctahedra; edges with four Mg(2,2)Mg8Al2Sb2 cuboctahedra; edges with four equivalent Al(1)Mg10Sb2 cuboctahedra; edges with eight Mg(1,1)Mg8Al2Sb2 cuboctahedra; faces with two equivalent Mg(3)Mg10Al2 cuboctahedra; faces with two equivalent Mg(4)Mg10Sb2 cuboctahedra; faces with two equivalent Al(1)Mg10Sb2 cuboctahedra; faces with four equivalent Mg(1)Mg8Al2Sb2 cuboctahedra; faces with four Mg(2,2)Mg8Al2Sb2 cuboctahedra; and faces with six equivalent Sb(1)Mg10Al2 cuboctahedra. In the fifth Mg site, Mg(4) is bonded to two equivalent Mg(3); four Mg(1,1); four Mg(2,2); and two equivalent Sb(1) atoms to form distorted MgMg10Sb2 cuboctahedra that share corners with four equivalent Mg(3)Mg10Al2 cuboctahedra; corners with six equivalent Mg(4)Mg10Sb2 cuboctahedra; corners with eight Mg(2,2)Mg8Al2Sb2 cuboctahedra; edges with two equivalent Mg(3)Mg10Al2 cuboctahedra; edges with four Mg(2,2)Mg8Al2Sb2 cuboctahedra; edges with four equivalent Sb(1)Mg10Al2 cuboctahedra; edges with eight Mg(1,1)Mg8Al2Sb2 cuboctahedra; faces with two equivalent Mg(3)Mg10Al2 cuboctahedra; faces with two equivalent Mg(4)Mg10Sb2 cuboctahedra; faces with two equivalent Sb(1)Mg10Al2 cuboctahedra; faces with four Mg(1,1)Mg8Al2Sb2 cuboctahedra; faces with four Mg(2,2)Mg8Al2Sb2 cuboctahedra; and faces with six equivalent Al(1)Mg10Sb2 cuboctahedra. In the sixth 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 Al(1), and two equivalent Sb(1) atoms to form distorted MgMg8Al2Sb2 cuboctahedra that share corners with four equivalent Al(1)Mg10Sb2 cuboctahedra; corners with four equivalent Sb(1)Mg10Al2 cuboctahedra; corners with ten Mg(1,1)Mg8Al2Sb2 cuboctahedra; edges with two equivalent Mg(1)Mg8Al2Sb2 cuboctahedra; edges with two equivalent Al(1)Mg10Sb2 cuboctahedra; edges with two equivalent Sb(1)Mg10Al2 cuboctahedra; edges with four equivalent Mg(3)Mg10Al2 cuboctahedra; edges with four equivalent Mg(4)Mg10Sb2 cuboctahedra; edges with four equivalent Mg(2)Mg8Al2Sb2 cuboctahedra; faces with two equivalent Mg(3)Mg10Al2 cuboctahedra; faces with two equivalent Mg(4)Mg10Sb2 cuboctahedra; faces with two equivalent Al(1)Mg10Sb2 cuboctahedra; faces with two equivalent Sb(1)Mg10Al2 cuboctahedra; faces with four Mg(1,1)Mg8Al2Sb2 cuboctahedra; and faces with eight Mg(2,2)Mg8Al2Sb2 cuboctahedra. Al(1) is bonded to two equivalent Mg(3); four Mg(1,1); four equivalent Mg(2); and two equivalent Sb(1) atoms to form AlMg10Sb2 cuboctahedra that share corners with four equivalent Sb(1)Mg10Al2 cuboctahedra; corners with six equivalent Al(1)Mg10Sb2 cuboctahedra; corners with eight Mg(1,1)Mg8Al2Sb2 cuboctahedra; edges with two equivalent Sb(1)Mg10Al2 cuboctahedra; edges with four equivalent Mg(3)Mg10Al2 cuboctahedra; edges with four Mg(1,1)Mg8Al2Sb2 cuboctahedra; edges with eight Mg(2,2)Mg8Al2Sb2 cuboctahedra; faces with two equivalent Mg(3)Mg10Al2 cuboctahedra; faces with two equivalent Al(1)Mg10Sb2 cuboctahedra; faces with two equivalent Sb(1)Mg10Al2 cuboctahedra; faces with four Mg(1,1)Mg8Al2Sb2 cuboctahedra; faces with four equivalent Mg(2)Mg8Al2Sb2 cuboctahedra; and faces with six equivalent Mg(4)Mg10Sb2 cuboctahedra. Sb(1) is bonded to two equivalent Mg(4); four Mg(1,1); four Mg(2,2); and two equivalent Al(1) atoms to form SbMg10Al2 cuboctahedra that share corners with four equivalent Al(1)Mg10Sb2 cuboctahedra; corners with six equivalent Sb(1)Mg10Al2 cuboctahedra; corners with eight Mg(1,1)Mg8Al2Sb2 cuboctahedra; edges with two equivalent Al(1)Mg10Sb2 cuboctahedra; edges with four equivalent Mg(4)Mg10Sb2 cuboctahedra; edges with four Mg(1,1)Mg8Al2Sb2 cuboctahedra; edges with eight Mg(2,2)Mg8Al2Sb2 cuboctahedra; faces with two equivalent Mg(4)Mg10Sb2 cuboctahedra; faces with two equivalent Al(1)Mg10Sb2 cuboctahedra; faces with two equivalent Sb(1)Mg10Al2 cuboctahedra; faces with four Mg(1,1)Mg8Al2Sb2 cuboctahedra; faces with four Mg(2,2)Mg8Al2Sb2 cuboctahedra; and faces with six equivalent Mg(3)Mg10Al2 cuboctahedra. is represented by the CIF file [CIF]
data_Mg6AlSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.235
_cell_length_b   6.242
_cell_length_c   6.242
_cell_angle_alpha   118.620
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   179.033
_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
  Al  Al0  1  0.500  0.168  0.832  1.0
  Mg  Mg1  1  0.500  0.167  0.334  1.0
  Mg  Mg2  1  0.500  0.666  0.833  1.0
  Mg  Mg3  1  0.000  0.329  0.161  1.0
  Mg  Mg4  1  0.000  0.839  0.671  1.0
  Mg  Mg5  1  0.000  0.331  0.669  1.0
  Mg  Mg6  1  0.000  0.834  0.166  1.0
  Sb  Sb7  1  0.500  0.667  0.333  1.0
[/CIF]
.