The structure described by Mg16Al12O crystallizes in the cubic I-43m space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a single-bond geometry to six equivalent Al(1) and one O(1) atom. In the second Mg site, Mg(2) is bonded in a 5-coordinate geometry to five equivalent Al(1) atoms. Al(1) is bonded in a 10-coordinate geometry to two equivalent Mg(1), five equivalent Mg(2), and three equivalent Al(1) atoms. O(1) is bonded in a tetrahedral geometry to four equivalent Mg(1) atoms. is represented by the CIF card [CIF]
data_Mg16Al12O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.178
_cell_length_b   9.178
_cell_length_c   9.178
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   595.149
_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  0.783  0.000  0.000  1.0
  Mg  Mg1  1  0.217  0.217  0.217  1.0
  Mg  Mg2  1  0.723  0.301  0.301  1.0
  Mg  Mg3  1  0.277  0.577  0.577  1.0
  Mg  Mg4  1  0.000  0.000  0.783  1.0
  Mg  Mg5  1  0.000  0.699  0.423  1.0
  Mg  Mg6  1  0.577  0.577  0.277  1.0
  Mg  Mg7  1  0.423  0.000  0.699  1.0
  Mg  Mg8  1  0.699  0.423  0.000  1.0
  Mg  Mg9  1  0.301  0.723  0.301  1.0
  Mg  Mg10  1  0.301  0.301  0.723  1.0
  Mg  Mg11  1  0.699  0.000  0.423  1.0
  Mg  Mg12  1  0.423  0.699  0.000  1.0
  Mg  Mg13  1  0.577  0.277  0.577  1.0
  Mg  Mg14  1  0.000  0.423  0.699  1.0
  Mg  Mg15  1  0.000  0.783  0.000  1.0
  Al  Al16  1  0.197  0.808  0.808  1.0
  Al  Al17  1  0.803  0.611  0.611  1.0
  Al  Al18  1  0.611  0.803  0.611  1.0
  Al  Al19  1  0.389  0.192  0.000  1.0
  Al  Al20  1  0.000  0.389  0.192  1.0
  Al  Al21  1  0.808  0.197  0.808  1.0
  Al  Al22  1  0.192  0.389  0.000  1.0
  Al  Al23  1  0.192  0.000  0.389  1.0
  Al  Al24  1  0.808  0.808  0.197  1.0
  Al  Al25  1  0.000  0.192  0.389  1.0
  Al  Al26  1  0.389  0.000  0.192  1.0
  Al  Al27  1  0.611  0.611  0.803  1.0
  O  O28  1  0.000  0.000  0.000  1.0
[/CIF]
.
The structure described by Mg16Al12O crystallizes in the cubic I-43m space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a single-bond geometry to six equivalent Al(1) and one O(1) atom. In the second Mg site, Mg(2) is bonded in a 5-coordinate geometry to five equivalent Al(1) atoms. Al(1) is bonded in a 10-coordinate geometry to two equivalent Mg(1), five equivalent Mg(2), and three equivalent Al(1) atoms. O(1) is bonded in a tetrahedral geometry to four equivalent Mg(1) atoms. is represented by the CIF card [CIF]
data_Mg16Al12O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.178
_cell_length_b   9.178
_cell_length_c   9.178
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   595.149
_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  0.783  0.000  0.000  1.0
  Mg  Mg1  1  0.217  0.217  0.217  1.0
  Mg  Mg2  1  0.723  0.301  0.301  1.0
  Mg  Mg3  1  0.277  0.577  0.577  1.0
  Mg  Mg4  1  0.000  0.000  0.783  1.0
  Mg  Mg5  1  0.000  0.699  0.423  1.0
  Mg  Mg6  1  0.577  0.577  0.277  1.0
  Mg  Mg7  1  0.423  0.000  0.699  1.0
  Mg  Mg8  1  0.699  0.423  0.000  1.0
  Mg  Mg9  1  0.301  0.723  0.301  1.0
  Mg  Mg10  1  0.301  0.301  0.723  1.0
  Mg  Mg11  1  0.699  0.000  0.423  1.0
  Mg  Mg12  1  0.423  0.699  0.000  1.0
  Mg  Mg13  1  0.577  0.277  0.577  1.0
  Mg  Mg14  1  0.000  0.423  0.699  1.0
  Mg  Mg15  1  0.000  0.783  0.000  1.0
  Al  Al16  1  0.197  0.808  0.808  1.0
  Al  Al17  1  0.803  0.611  0.611  1.0
  Al  Al18  1  0.611  0.803  0.611  1.0
  Al  Al19  1  0.389  0.192  0.000  1.0
  Al  Al20  1  0.000  0.389  0.192  1.0
  Al  Al21  1  0.808  0.197  0.808  1.0
  Al  Al22  1  0.192  0.389  0.000  1.0
  Al  Al23  1  0.192  0.000  0.389  1.0
  Al  Al24  1  0.808  0.808  0.197  1.0
  Al  Al25  1  0.000  0.192  0.389  1.0
  Al  Al26  1  0.389  0.000  0.192  1.0
  Al  Al27  1  0.611  0.611  0.803  1.0
  O  O28  1  0.000  0.000  0.000  1.0
[/CIF]
.