The compound described by Mg2Zn3Al4 crystallizes in the hexagonal P6_3/mmc space group. Mg(1) is bonded in a 13-coordinate geometry to six equivalent Zn(1), three equivalent Al(2), and four equivalent Al(1) atoms. Zn(1) is bonded in a 10-coordinate geometry to four equivalent Mg(1), four equivalent Zn(1), and two equivalent Al(2) atoms. There are two inequivalent Al sites. In the first Al site, Al(2) is bonded in a distorted q6 geometry to three equivalent Mg(1), three equivalent Zn(1), one Al(2), and three equivalent Al(1) atoms. In the second Al site, Al(1) is bonded in a 7-coordinate geometry to four equivalent Mg(1) and three equivalent Al(2) atoms. is represented by the CIF file [CIF]
data_Mg2Al4Zn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.984
_cell_length_b   4.984
_cell_length_c   14.867
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.080
_symmetry_Int_Tables_number   1
_cell_volume   319.514
_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  0.667  0.333  0.142  1.0
  Mg  Mg1  1  0.333  0.667  0.858  1.0
  Mg  Mg2  1  0.333  0.667  0.642  1.0
  Mg  Mg3  1  0.667  0.333  0.358  1.0
  Al  Al4  1  0.667  0.333  0.561  1.0
  Al  Al5  1  0.333  0.667  0.439  1.0
  Al  Al6  1  0.333  0.667  0.061  1.0
  Al  Al7  1  0.667  0.333  0.939  1.0
  Al  Al8  1  1.000  0.000  0.588  1.0
  Al  Al9  1  0.000  1.000  0.412  1.0
  Al  Al10  1  0.000  1.000  0.088  1.0
  Al  Al11  1  1.000  0.000  0.912  1.0
  Zn  Zn12  1  0.832  0.664  0.750  1.0
  Zn  Zn13  1  0.832  0.168  0.750  1.0
  Zn  Zn14  1  0.336  0.168  0.750  1.0
  Zn  Zn15  1  0.168  0.336  0.250  1.0
  Zn  Zn16  1  0.168  0.832  0.250  1.0
  Zn  Zn17  1  0.664  0.832  0.250  1.0
[/CIF]
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The compound described by Mg2Zn3Al4 crystallizes in the hexagonal P6_3/mmc space group. Mg(1) is bonded in a 13-coordinate geometry to six equivalent Zn(1), three equivalent Al(2), and four equivalent Al(1) atoms. Zn(1) is bonded in a 10-coordinate geometry to four equivalent Mg(1), four equivalent Zn(1), and two equivalent Al(2) atoms. There are two inequivalent Al sites. In the first Al site, Al(2) is bonded in a distorted q6 geometry to three equivalent Mg(1), three equivalent Zn(1), one Al(2), and three equivalent Al(1) atoms. In the second Al site, Al(1) is bonded in a 7-coordinate geometry to four equivalent Mg(1) and three equivalent Al(2) atoms. is represented by the CIF file [CIF]
data_Mg2Al4Zn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.984
_cell_length_b   4.984
_cell_length_c   14.867
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.080
_symmetry_Int_Tables_number   1
_cell_volume   319.514
_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  0.667  0.333  0.142  1.0
  Mg  Mg1  1  0.333  0.667  0.858  1.0
  Mg  Mg2  1  0.333  0.667  0.642  1.0
  Mg  Mg3  1  0.667  0.333  0.358  1.0
  Al  Al4  1  0.667  0.333  0.561  1.0
  Al  Al5  1  0.333  0.667  0.439  1.0
  Al  Al6  1  0.333  0.667  0.061  1.0
  Al  Al7  1  0.667  0.333  0.939  1.0
  Al  Al8  1  1.000  0.000  0.588  1.0
  Al  Al9  1  0.000  1.000  0.412  1.0
  Al  Al10  1  0.000  1.000  0.088  1.0
  Al  Al11  1  1.000  0.000  0.912  1.0
  Zn  Zn12  1  0.832  0.664  0.750  1.0
  Zn  Zn13  1  0.832  0.168  0.750  1.0
  Zn  Zn14  1  0.336  0.168  0.750  1.0
  Zn  Zn15  1  0.168  0.336  0.250  1.0
  Zn  Zn16  1  0.168  0.832  0.250  1.0
  Zn  Zn17  1  0.664  0.832  0.250  1.0
[/CIF]
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