The crystal structure described by Mg16ScAl12 is gamma-brass-derived structured and 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(5), two equivalent Mg(7), two equivalent Mg(9), one Al(2), two equivalent Al(3), and two equivalent Al(5) atoms. In the second Mg site, Mg(2) is bonded in a 10-coordinate geometry to one Mg(4), two equivalent Mg(7), one Sc(1), two equivalent Al(3), two equivalent Al(5), and two equivalent Al(6) atoms. In the third Mg site, Mg(3) is bonded in a 11-coordinate geometry to one Mg(1), one Mg(4), two equivalent Mg(6), one Sc(1), two equivalent Al(3), two equivalent Al(4), and two equivalent Al(7) atoms. In the fourth Mg site, Mg(4) is bonded in a 16-coordinate geometry to one Mg(2), one Mg(3), two equivalent Mg(8), one Al(1), 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 fifth Mg site, Mg(5) is bonded in a 12-coordinate geometry to one Mg(1), one Mg(10), one Mg(6), one Mg(7), one Mg(8), one Mg(9), one Sc(1), one Al(1), one Al(2), one Al(3), one Al(6), and one Al(7) atom. In the sixth Mg site, Mg(6) is bonded in a 12-coordinate geometry to one Mg(3), one Mg(5), one Mg(7), one Mg(9), two equivalent Mg(10), one Sc(1), one Al(1), one Al(4), one Al(5), one Al(6), and one Al(7) atom. In the seventh Mg site, Mg(7) is bonded in a 12-coordinate geometry to one Mg(1), one Mg(10), one Mg(2), one Mg(5), one Mg(6), two equivalent Mg(9), one Al(2), one Al(4), one Al(5), one Al(6), and one Al(7) atom. In the eighth Mg site, Mg(8) is bonded in a 10-coordinate geometry to one Mg(10), one Mg(4), one Mg(5), one Mg(9), one Al(1), one Al(2), one Al(4), one Al(5), one Al(6), and one Al(7) atom. In the ninth Mg site, Mg(9) is bonded in a 12-coordinate geometry to one Mg(1), one Mg(10), one Mg(5), one Mg(6), one Mg(8), two equivalent Mg(7), 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(5), one Mg(7), one Mg(8), one Mg(9), two equivalent Mg(6), one Sc(1), one Al(3), one Al(4), one Al(5), and two equivalent Al(6) atoms. Sc(1) is bonded in a 13-coordinate geometry to one Mg(2), one Mg(3), two equivalent Mg(10), two equivalent Mg(5), two equivalent Mg(6), one Al(1), two equivalent Al(3), and two equivalent Al(4) atoms. There are seven inequivalent Al sites. In the first Al site, Al(1) is bonded in a 11-coordinate geometry to one Mg(4), two equivalent Mg(5), two equivalent Mg(6), two equivalent Mg(8), one Sc(1), one Al(2), and two equivalent Al(5) atoms. In the second Al site, Al(2) is bonded in a 11-coordinate geometry to one Mg(1), one Mg(4), two equivalent Mg(5), two equivalent Mg(7), two equivalent Mg(8), one Al(1), and two equivalent Al(4) atoms. In the third Al site, Al(3) is bonded in a 11-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 Sc(1), one Al(3), one Al(6), and one Al(7) atom. In the fourth Al site, Al(4) is bonded in a 11-coordinate geometry to one Mg(10), one Mg(3), one Mg(4), one Mg(6), one Mg(7), one Mg(8), one Mg(9), one Sc(1), one Al(2), one Al(4), and one Al(7) atom. In the fifth 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(1), one Al(5), and one Al(6) atom. In the sixth Al site, Al(6) is bonded in a 11-coordinate geometry to one Mg(2), one Mg(4), one Mg(5), one Mg(6), one Mg(7), one Mg(8), two equivalent Mg(10), one Al(3), one Al(5), and one Al(7) atom. In the seventh Al site, Al(7) is bonded in a 11-coordinate geometry to one Mg(3), one Mg(4), one Mg(5), one Mg(6), one Mg(7), one Mg(8), two equivalent Mg(9), one Al(3), one Al(4), and one Al(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg16ScAl12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.160
_cell_length_b   9.160
_cell_length_c   9.018
_cell_angle_alpha   70.752
_cell_angle_beta   70.752
_cell_angle_gamma   109.592
_symmetry_Int_Tables_number   1
_cell_volume   584.855
_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  0.401  0.401  0.280  1.0
  Mg  Mg1  1  0.006  0.006  0.649  1.0
  Mg  Mg2  1  0.655  0.655  0.351  1.0
  Mg  Mg3  1  0.001  0.001  0.002  1.0
  Mg  Mg4  1  0.604  0.314  0.998  1.0
  Mg  Mg5  1  0.715  0.399  0.603  1.0
  Mg  Mg6  1  0.318  0.000  0.395  1.0
  Mg  Mg7  1  0.338  0.997  0.007  1.0
  Mg  Mg8  1  0.684  0.289  0.316  1.0
  Mg  Mg9  1  0.002  0.598  0.685  1.0
  Mg  Mg10  1  0.598  0.002  0.685  1.0
  Mg  Mg11  1  0.289  0.684  0.316  1.0
  Mg  Mg12  1  0.997  0.338  0.007  1.0
  Mg  Mg13  1  0.000  0.318  0.395  1.0
  Mg  Mg14  1  0.399  0.715  0.603  1.0
  Mg  Mg15  1  0.314  0.604  0.998  1.0
  Sc  Sc16  1  0.685  0.685  0.722  1.0
  Al  Al17  1  0.372  0.372  0.815  1.0
  Al  Al18  1  0.185  0.185  0.180  1.0
  Al  Al19  1  0.813  0.634  0.998  1.0
  Al  Al20  1  0.996  0.812  0.371  1.0
  Al  Al21  1  0.364  0.179  0.634  1.0
  Al  Al22  1  0.184  0.822  0.812  1.0
  Al  Al23  1  1.000  0.634  0.182  1.0
  Al  Al24  1  0.634  1.000  0.182  1.0
  Al  Al25  1  0.822  0.184  0.812  1.0
  Al  Al26  1  0.179  0.364  0.634  1.0
  Al  Al27  1  0.812  0.996  0.371  1.0
  Al  Al28  1  0.634  0.813  0.998  1.0
[/CIF]
.
The crystal structure described by Mg16ScAl12 is gamma-brass-derived structured and 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(5), two equivalent Mg(7), two equivalent Mg(9), one Al(2), two equivalent Al(3), and two equivalent Al(5) atoms. In the second Mg site, Mg(2) is bonded in a 10-coordinate geometry to one Mg(4), two equivalent Mg(7), one Sc(1), two equivalent Al(3), two equivalent Al(5), and two equivalent Al(6) atoms. In the third Mg site, Mg(3) is bonded in a 11-coordinate geometry to one Mg(1), one Mg(4), two equivalent Mg(6), one Sc(1), two equivalent Al(3), two equivalent Al(4), and two equivalent Al(7) atoms. In the fourth Mg site, Mg(4) is bonded in a 16-coordinate geometry to one Mg(2), one Mg(3), two equivalent Mg(8), one Al(1), 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 fifth Mg site, Mg(5) is bonded in a 12-coordinate geometry to one Mg(1), one Mg(10), one Mg(6), one Mg(7), one Mg(8), one Mg(9), one Sc(1), one Al(1), one Al(2), one Al(3), one Al(6), and one Al(7) atom. In the sixth Mg site, Mg(6) is bonded in a 12-coordinate geometry to one Mg(3), one Mg(5), one Mg(7), one Mg(9), two equivalent Mg(10), one Sc(1), one Al(1), one Al(4), one Al(5), one Al(6), and one Al(7) atom. In the seventh Mg site, Mg(7) is bonded in a 12-coordinate geometry to one Mg(1), one Mg(10), one Mg(2), one Mg(5), one Mg(6), two equivalent Mg(9), one Al(2), one Al(4), one Al(5), one Al(6), and one Al(7) atom. In the eighth Mg site, Mg(8) is bonded in a 10-coordinate geometry to one Mg(10), one Mg(4), one Mg(5), one Mg(9), one Al(1), one Al(2), one Al(4), one Al(5), one Al(6), and one Al(7) atom. In the ninth Mg site, Mg(9) is bonded in a 12-coordinate geometry to one Mg(1), one Mg(10), one Mg(5), one Mg(6), one Mg(8), two equivalent Mg(7), 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(5), one Mg(7), one Mg(8), one Mg(9), two equivalent Mg(6), one Sc(1), one Al(3), one Al(4), one Al(5), and two equivalent Al(6) atoms. Sc(1) is bonded in a 13-coordinate geometry to one Mg(2), one Mg(3), two equivalent Mg(10), two equivalent Mg(5), two equivalent Mg(6), one Al(1), two equivalent Al(3), and two equivalent Al(4) atoms. There are seven inequivalent Al sites. In the first Al site, Al(1) is bonded in a 11-coordinate geometry to one Mg(4), two equivalent Mg(5), two equivalent Mg(6), two equivalent Mg(8), one Sc(1), one Al(2), and two equivalent Al(5) atoms. In the second Al site, Al(2) is bonded in a 11-coordinate geometry to one Mg(1), one Mg(4), two equivalent Mg(5), two equivalent Mg(7), two equivalent Mg(8), one Al(1), and two equivalent Al(4) atoms. In the third Al site, Al(3) is bonded in a 11-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 Sc(1), one Al(3), one Al(6), and one Al(7) atom. In the fourth Al site, Al(4) is bonded in a 11-coordinate geometry to one Mg(10), one Mg(3), one Mg(4), one Mg(6), one Mg(7), one Mg(8), one Mg(9), one Sc(1), one Al(2), one Al(4), and one Al(7) atom. In the fifth 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(1), one Al(5), and one Al(6) atom. In the sixth Al site, Al(6) is bonded in a 11-coordinate geometry to one Mg(2), one Mg(4), one Mg(5), one Mg(6), one Mg(7), one Mg(8), two equivalent Mg(10), one Al(3), one Al(5), and one Al(7) atom. In the seventh Al site, Al(7) is bonded in a 11-coordinate geometry to one Mg(3), one Mg(4), one Mg(5), one Mg(6), one Mg(7), one Mg(8), two equivalent Mg(9), one Al(3), one Al(4), and one Al(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg16ScAl12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.160
_cell_length_b   9.160
_cell_length_c   9.018
_cell_angle_alpha   70.752
_cell_angle_beta   70.752
_cell_angle_gamma   109.592
_symmetry_Int_Tables_number   1
_cell_volume   584.855
_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  0.401  0.401  0.280  1.0
  Mg  Mg1  1  0.006  0.006  0.649  1.0
  Mg  Mg2  1  0.655  0.655  0.351  1.0
  Mg  Mg3  1  0.001  0.001  0.002  1.0
  Mg  Mg4  1  0.604  0.314  0.998  1.0
  Mg  Mg5  1  0.715  0.399  0.603  1.0
  Mg  Mg6  1  0.318  0.000  0.395  1.0
  Mg  Mg7  1  0.338  0.997  0.007  1.0
  Mg  Mg8  1  0.684  0.289  0.316  1.0
  Mg  Mg9  1  0.002  0.598  0.685  1.0
  Mg  Mg10  1  0.598  0.002  0.685  1.0
  Mg  Mg11  1  0.289  0.684  0.316  1.0
  Mg  Mg12  1  0.997  0.338  0.007  1.0
  Mg  Mg13  1  0.000  0.318  0.395  1.0
  Mg  Mg14  1  0.399  0.715  0.603  1.0
  Mg  Mg15  1  0.314  0.604  0.998  1.0
  Sc  Sc16  1  0.685  0.685  0.722  1.0
  Al  Al17  1  0.372  0.372  0.815  1.0
  Al  Al18  1  0.185  0.185  0.180  1.0
  Al  Al19  1  0.813  0.634  0.998  1.0
  Al  Al20  1  0.996  0.812  0.371  1.0
  Al  Al21  1  0.364  0.179  0.634  1.0
  Al  Al22  1  0.184  0.822  0.812  1.0
  Al  Al23  1  1.000  0.634  0.182  1.0
  Al  Al24  1  0.634  1.000  0.182  1.0
  Al  Al25  1  0.822  0.184  0.812  1.0
  Al  Al26  1  0.179  0.364  0.634  1.0
  Al  Al27  1  0.812  0.996  0.371  1.0
  Al  Al28  1  0.634  0.813  0.998  1.0
[/CIF]
.