The compound described by Mg2Zn3Al4 crystallizes in the trigonal P-3m1 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 15-coordinate geometry to three equivalent Mg(1), three equivalent Al(2), and nine equivalent Al(3) atoms. In the second Mg site, Mg(2) is bonded in a 15-coordinate geometry to three equivalent Mg(2), nine equivalent Zn(1), and three equivalent Al(1) atoms. Zn(1) is bonded in a 9-coordinate geometry to three equivalent Mg(2), four equivalent Zn(1), one Al(1), and one Al(3) atom. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded to six equivalent Mg(2) and six equivalent Zn(1) atoms to form edge-sharing AlMg6Zn6 cuboctahedra. In the second Al site, Al(2) is bonded to six equivalent Mg(1) and six equivalent Al(3) atoms to form edge-sharing AlMg6Al6 cuboctahedra. In the third Al site, Al(3) is bonded in a 9-coordinate geometry to three equivalent Mg(1), one Zn(1), one Al(2), and four equivalent Al(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg2Al4Zn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.359
_cell_length_b   5.359
_cell_length_c   13.997
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   348.190
_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  0.333  0.667  0.953  1.0
  Mg  Mg1  1  0.667  0.333  0.047  1.0
  Mg  Mg2  1  0.667  0.333  0.451  1.0
  Mg  Mg3  1  0.333  0.667  0.549  1.0
  Al  Al4  1  0.000  0.000  0.500  1.0
  Al  Al5  1  0.000  0.000  0.000  1.0
  Al  Al6  1  0.832  0.168  0.844  1.0
  Al  Al7  1  0.832  0.664  0.844  1.0
  Al  Al8  1  0.336  0.168  0.844  1.0
  Al  Al9  1  0.168  0.832  0.156  1.0
  Al  Al10  1  0.168  0.336  0.156  1.0
  Al  Al11  1  0.664  0.832  0.156  1.0
  Zn  Zn12  1  0.169  0.831  0.343  1.0
  Zn  Zn13  1  0.169  0.337  0.343  1.0
  Zn  Zn14  1  0.663  0.831  0.343  1.0
  Zn  Zn15  1  0.831  0.169  0.657  1.0
  Zn  Zn16  1  0.831  0.663  0.657  1.0
  Zn  Zn17  1  0.337  0.169  0.657  1.0
[/CIF]
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The compound described by Mg2Zn3Al4 crystallizes in the trigonal P-3m1 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 15-coordinate geometry to three equivalent Mg(1), three equivalent Al(2), and nine equivalent Al(3) atoms. In the second Mg site, Mg(2) is bonded in a 15-coordinate geometry to three equivalent Mg(2), nine equivalent Zn(1), and three equivalent Al(1) atoms. Zn(1) is bonded in a 9-coordinate geometry to three equivalent Mg(2), four equivalent Zn(1), one Al(1), and one Al(3) atom. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded to six equivalent Mg(2) and six equivalent Zn(1) atoms to form edge-sharing AlMg6Zn6 cuboctahedra. In the second Al site, Al(2) is bonded to six equivalent Mg(1) and six equivalent Al(3) atoms to form edge-sharing AlMg6Al6 cuboctahedra. In the third Al site, Al(3) is bonded in a 9-coordinate geometry to three equivalent Mg(1), one Zn(1), one Al(2), and four equivalent Al(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg2Al4Zn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.359
_cell_length_b   5.359
_cell_length_c   13.997
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   348.190
_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  0.333  0.667  0.953  1.0
  Mg  Mg1  1  0.667  0.333  0.047  1.0
  Mg  Mg2  1  0.667  0.333  0.451  1.0
  Mg  Mg3  1  0.333  0.667  0.549  1.0
  Al  Al4  1  0.000  0.000  0.500  1.0
  Al  Al5  1  0.000  0.000  0.000  1.0
  Al  Al6  1  0.832  0.168  0.844  1.0
  Al  Al7  1  0.832  0.664  0.844  1.0
  Al  Al8  1  0.336  0.168  0.844  1.0
  Al  Al9  1  0.168  0.832  0.156  1.0
  Al  Al10  1  0.168  0.336  0.156  1.0
  Al  Al11  1  0.664  0.832  0.156  1.0
  Zn  Zn12  1  0.169  0.831  0.343  1.0
  Zn  Zn13  1  0.169  0.337  0.343  1.0
  Zn  Zn14  1  0.663  0.831  0.343  1.0
  Zn  Zn15  1  0.831  0.169  0.657  1.0
  Zn  Zn16  1  0.831  0.663  0.657  1.0
  Zn  Zn17  1  0.337  0.169  0.657  1.0
[/CIF]
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