The material described by Mg16Al12N crystallizes in the monoclinic Cm space group. There are ten inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 12-coordinate geometry to one Mg(3), two equivalent Mg(10), two equivalent Mg(5), two equivalent Mg(7), one Al(1), two equivalent Al(4), and two equivalent Al(5) atoms. In the second Mg site, Mg(2) is bonded in a 15-coordinate geometry to one Mg(3), one Mg(4), two equivalent Mg(8), one Al(2), two equivalent Al(3), two equivalent Al(4), two equivalent Al(5), two equivalent Al(6), and two equivalent Al(7) atoms. In the third Mg site, Mg(3) is bonded in a single-bond geometry to one Mg(1), one Mg(2), two equivalent Al(3), two equivalent Al(4), two equivalent Al(6), and one N(1) atom. In the fourth Mg site, Mg(4) is bonded in a 13-coordinate geometry to one Mg(2), two equivalent Mg(7), two equivalent Mg(9), two equivalent Al(3), two equivalent Al(4), two equivalent Al(5), and two equivalent Al(7) atoms. In the fifth Mg site, Mg(5) is bonded in a 4-coordinate geometry to one Mg(1), one Mg(10), one Mg(7), one Mg(9), one Al(1), one Al(4), one Al(6), and one Al(7) atom. In the sixth Mg site, Mg(6) is bonded in a single-bond geometry to one Mg(10), one Mg(7), two equivalent Mg(9), one Al(3), one Al(5), one Al(6), one Al(7), and one N(1) atom. In the seventh Mg site, Mg(7) is bonded in a 12-coordinate geometry to one Mg(1), one Mg(4), one Mg(5), one Mg(6), one Mg(9), two equivalent Mg(10), one Al(1), one Al(3), one Al(5), one Al(6), and one Al(7) atom. In the eighth Mg site, Mg(8) is bonded in a 5-coordinate geometry to one Mg(10), one Mg(2), one Mg(9), one Al(1), one Al(2), one Al(3), one Al(5), one Al(6), and two equivalent Al(7) atoms. In the ninth Mg site, Mg(9) is bonded in a 12-coordinate geometry to one Mg(10), one Mg(4), one Mg(5), one Mg(7), one Mg(8), two equivalent Mg(6), one Al(3), one Al(4), one Al(5), and two equivalent Al(7) atoms. In the tenth Mg site, Mg(10) is bonded in a 12-coordinate geometry to one Mg(1), one Mg(5), one Mg(6), one Mg(8), one Mg(9), two equivalent Mg(7), one Al(3), one Al(4), one Al(5), and two equivalent Al(6) atoms. There are seven inequivalent Al sites. In the first Al site, Al(1) is bonded in a 10-coordinate geometry to one Mg(1), two equivalent Mg(5), two equivalent Mg(7), two equivalent Mg(8), one Al(2), and two equivalent Al(3) atoms. In the second Al site, Al(2) is bonded in a single-bond geometry to one Mg(2), two equivalent Mg(8), one Al(1), two equivalent Al(5), and one N(1) atom. In the third Al site, Al(3) is bonded in a 11-coordinate geometry to one Mg(10), one Mg(2), one Mg(3), one Mg(4), one Mg(6), one Mg(7), one Mg(8), one Mg(9), one Al(1), one Al(3), and one Al(6) atom. In the fourth Al site, Al(5) is bonded in a 11-coordinate geometry to one Mg(1), one Mg(10), one Mg(2), one Mg(4), one Mg(6), one Mg(7), one Mg(8), one Mg(9), one Al(2), one Al(5), and one Al(7) atom. In the fifth Al site, Al(6) is bonded in a 11-coordinate geometry to one Mg(2), one Mg(3), one Mg(5), one Mg(6), one Mg(7), one Mg(8), two equivalent Mg(10), one Al(3), one Al(4), and one Al(7) atom. In the sixth Al site, Al(7) is bonded in a 12-coordinate geometry to one Mg(2), one Mg(4), one Mg(5), one Mg(6), one Mg(7), two equivalent Mg(8), two equivalent Mg(9), one Al(4), one Al(5), and one Al(6) atom. In the seventh Al site, Al(4) is bonded in a 10-coordinate geometry to one Mg(1), one Mg(10), one Mg(2), one Mg(3), one Mg(4), one Mg(5), one Mg(9), one Al(4), one Al(6), and one Al(7) atom. N(1) is bonded in a rectangular see-saw-like geometry to one Mg(3), two equivalent Mg(6), and one Al(2) atom. is represented by the CIF card [CIF]
data_Mg16Al12N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.184
_cell_length_b   9.178
_cell_length_c   9.048
_cell_angle_alpha   110.471
_cell_angle_beta   110.497
_cell_angle_gamma   108.078
_symmetry_Int_Tables_number   1
_cell_volume   582.252
_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  0.300  0.598  0.000  1.0
  Mg  Mg1  1  0.004  0.994  0.000  1.0
  Mg  Mg2  1  0.985  0.321  1.000  1.0
  Mg  Mg3  1  0.375  0.036  0.000  1.0
  Mg  Mg4  1  0.662  0.669  0.275  1.0
  Mg  Mg5  1  0.968  0.573  0.285  1.0
  Mg  Mg6  1  0.589  0.997  0.321  1.0
  Mg  Mg7  1  0.989  0.989  0.347  1.0
  Mg  Mg8  1  0.707  0.394  0.398  1.0
  Mg  Mg9  1  0.385  0.708  0.398  1.0
  Mg  Mg10  1  0.986  0.310  0.602  1.0
  Mg  Mg11  1  0.309  0.996  0.602  1.0
  Mg  Mg12  1  0.642  0.642  0.653  1.0
  Mg  Mg13  1  0.268  0.676  0.679  1.0
  Mg  Mg14  1  0.683  0.288  0.715  1.0
  Mg  Mg15  1  0.387  0.395  0.725  1.0
  Al  Al16  1  0.618  0.790  0.000  1.0
  Al  Al17  1  0.831  0.649  0.000  1.0
  Al  Al18  1  0.803  0.161  0.186  1.0
  Al  Al19  1  0.355  0.366  0.187  1.0
  Al  Al20  1  0.197  0.842  0.193  1.0
  Al  Al21  1  0.165  0.354  0.367  1.0
  Al  Al22  1  0.376  0.196  0.386  1.0
  Al  Al23  1  0.990  0.810  0.614  1.0
  Al  Al24  1  0.798  0.987  0.633  1.0
  Al  Al25  1  0.004  0.650  0.807  1.0
  Al  Al26  1  0.168  0.179  0.813  1.0
  Al  Al27  1  0.617  0.975  0.814  1.0
  N  N28  1  0.838  0.451  0.000  1.0
[/CIF]
.
The material described by Mg16Al12N crystallizes in the monoclinic Cm space group. There are ten inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 12-coordinate geometry to one Mg(3), two equivalent Mg(10), two equivalent Mg(5), two equivalent Mg(7), one Al(1), two equivalent Al(4), and two equivalent Al(5) atoms. In the second Mg site, Mg(2) is bonded in a 15-coordinate geometry to one Mg(3), one Mg(4), two equivalent Mg(8), one Al(2), two equivalent Al(3), two equivalent Al(4), two equivalent Al(5), two equivalent Al(6), and two equivalent Al(7) atoms. In the third Mg site, Mg(3) is bonded in a single-bond geometry to one Mg(1), one Mg(2), two equivalent Al(3), two equivalent Al(4), two equivalent Al(6), and one N(1) atom. In the fourth Mg site, Mg(4) is bonded in a 13-coordinate geometry to one Mg(2), two equivalent Mg(7), two equivalent Mg(9), two equivalent Al(3), two equivalent Al(4), two equivalent Al(5), and two equivalent Al(7) atoms. In the fifth Mg site, Mg(5) is bonded in a 4-coordinate geometry to one Mg(1), one Mg(10), one Mg(7), one Mg(9), one Al(1), one Al(4), one Al(6), and one Al(7) atom. In the sixth Mg site, Mg(6) is bonded in a single-bond geometry to one Mg(10), one Mg(7), two equivalent Mg(9), one Al(3), one Al(5), one Al(6), one Al(7), and one N(1) atom. In the seventh Mg site, Mg(7) is bonded in a 12-coordinate geometry to one Mg(1), one Mg(4), one Mg(5), one Mg(6), one Mg(9), two equivalent Mg(10), one Al(1), one Al(3), one Al(5), one Al(6), and one Al(7) atom. In the eighth Mg site, Mg(8) is bonded in a 5-coordinate geometry to one Mg(10), one Mg(2), one Mg(9), one Al(1), one Al(2), one Al(3), one Al(5), one Al(6), and two equivalent Al(7) atoms. In the ninth Mg site, Mg(9) is bonded in a 12-coordinate geometry to one Mg(10), one Mg(4), one Mg(5), one Mg(7), one Mg(8), two equivalent Mg(6), one Al(3), one Al(4), one Al(5), and two equivalent Al(7) atoms. In the tenth Mg site, Mg(10) is bonded in a 12-coordinate geometry to one Mg(1), one Mg(5), one Mg(6), one Mg(8), one Mg(9), two equivalent Mg(7), one Al(3), one Al(4), one Al(5), and two equivalent Al(6) atoms. There are seven inequivalent Al sites. In the first Al site, Al(1) is bonded in a 10-coordinate geometry to one Mg(1), two equivalent Mg(5), two equivalent Mg(7), two equivalent Mg(8), one Al(2), and two equivalent Al(3) atoms. In the second Al site, Al(2) is bonded in a single-bond geometry to one Mg(2), two equivalent Mg(8), one Al(1), two equivalent Al(5), and one N(1) atom. In the third Al site, Al(3) is bonded in a 11-coordinate geometry to one Mg(10), one Mg(2), one Mg(3), one Mg(4), one Mg(6), one Mg(7), one Mg(8), one Mg(9), one Al(1), one Al(3), and one Al(6) atom. In the fourth Al site, Al(5) is bonded in a 11-coordinate geometry to one Mg(1), one Mg(10), one Mg(2), one Mg(4), one Mg(6), one Mg(7), one Mg(8), one Mg(9), one Al(2), one Al(5), and one Al(7) atom. In the fifth Al site, Al(6) is bonded in a 11-coordinate geometry to one Mg(2), one Mg(3), one Mg(5), one Mg(6), one Mg(7), one Mg(8), two equivalent Mg(10), one Al(3), one Al(4), and one Al(7) atom. In the sixth Al site, Al(7) is bonded in a 12-coordinate geometry to one Mg(2), one Mg(4), one Mg(5), one Mg(6), one Mg(7), two equivalent Mg(8), two equivalent Mg(9), one Al(4), one Al(5), and one Al(6) atom. In the seventh Al site, Al(4) is bonded in a 10-coordinate geometry to one Mg(1), one Mg(10), one Mg(2), one Mg(3), one Mg(4), one Mg(5), one Mg(9), one Al(4), one Al(6), and one Al(7) atom. N(1) is bonded in a rectangular see-saw-like geometry to one Mg(3), two equivalent Mg(6), and one Al(2) atom. is represented by the CIF card [CIF]
data_Mg16Al12N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.184
_cell_length_b   9.178
_cell_length_c   9.048
_cell_angle_alpha   110.471
_cell_angle_beta   110.497
_cell_angle_gamma   108.078
_symmetry_Int_Tables_number   1
_cell_volume   582.252
_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  0.300  0.598  0.000  1.0
  Mg  Mg1  1  0.004  0.994  0.000  1.0
  Mg  Mg2  1  0.985  0.321  1.000  1.0
  Mg  Mg3  1  0.375  0.036  0.000  1.0
  Mg  Mg4  1  0.662  0.669  0.275  1.0
  Mg  Mg5  1  0.968  0.573  0.285  1.0
  Mg  Mg6  1  0.589  0.997  0.321  1.0
  Mg  Mg7  1  0.989  0.989  0.347  1.0
  Mg  Mg8  1  0.707  0.394  0.398  1.0
  Mg  Mg9  1  0.385  0.708  0.398  1.0
  Mg  Mg10  1  0.986  0.310  0.602  1.0
  Mg  Mg11  1  0.309  0.996  0.602  1.0
  Mg  Mg12  1  0.642  0.642  0.653  1.0
  Mg  Mg13  1  0.268  0.676  0.679  1.0
  Mg  Mg14  1  0.683  0.288  0.715  1.0
  Mg  Mg15  1  0.387  0.395  0.725  1.0
  Al  Al16  1  0.618  0.790  0.000  1.0
  Al  Al17  1  0.831  0.649  0.000  1.0
  Al  Al18  1  0.803  0.161  0.186  1.0
  Al  Al19  1  0.355  0.366  0.187  1.0
  Al  Al20  1  0.197  0.842  0.193  1.0
  Al  Al21  1  0.165  0.354  0.367  1.0
  Al  Al22  1  0.376  0.196  0.386  1.0
  Al  Al23  1  0.990  0.810  0.614  1.0
  Al  Al24  1  0.798  0.987  0.633  1.0
  Al  Al25  1  0.004  0.650  0.807  1.0
  Al  Al26  1  0.168  0.179  0.813  1.0
  Al  Al27  1  0.617  0.975  0.814  1.0
  N  N28  1  0.838  0.451  0.000  1.0
[/CIF]
.