The material described by Al8Mg3FeSi6 is delta Molybdenum Boride-derived structured and crystallizes in the hexagonal P-62m space group. Mg(1) is bonded in a 7-coordinate geometry to one Al(3), four equivalent Al(1), and two equivalent Si(1) atoms. Fe(1) is bonded in a 9-coordinate geometry to three equivalent Al(2) and six equivalent Si(1) atoms. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a 9-coordinate geometry to three equivalent Mg(1), three equivalent Al(2), and three equivalent Si(1) atoms. In the second Al site, Al(2) is bonded in a 9-coordinate geometry to one Fe(1), four equivalent Al(1), and four equivalent Si(1) atoms. In the third Al site, Al(3) is bonded in a 9-coordinate geometry to three equivalent Mg(1) and six equivalent Si(1) atoms. Si(1) is bonded in a 7-coordinate geometry to one Mg(1), one Fe(1), one Al(3), two equivalent Al(1), and two equivalent Al(2) atoms. is represented by the CIF card [CIF]
data_Mg3Al8FeSi6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.733
_cell_length_b   6.733
_cell_length_c   7.687
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   301.822
_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  0.000  0.430  0.500  1.0
  Mg  Mg1  1  0.430  0.000  0.500  1.0
  Mg  Mg2  1  0.570  0.570  0.500  1.0
  Al  Al3  1  0.333  0.667  0.214  1.0
  Al  Al4  1  0.333  0.667  0.786  1.0
  Al  Al5  1  0.667  0.333  0.786  1.0
  Al  Al6  1  0.642  0.642  0.000  1.0
  Al  Al7  1  0.000  0.358  0.000  1.0
  Al  Al8  1  0.667  0.333  0.214  1.0
  Al  Al9  1  0.000  0.000  0.500  1.0
  Al  Al10  1  0.358  0.000  0.000  1.0
  Fe  Fe11  1  0.000  0.000  0.000  1.0
  Si  Si12  1  0.242  0.242  0.767  1.0
  Si  Si13  1  0.000  0.758  0.233  1.0
  Si  Si14  1  0.758  0.000  0.233  1.0
  Si  Si15  1  0.242  0.242  0.233  1.0
  Si  Si16  1  0.000  0.758  0.767  1.0
  Si  Si17  1  0.758  0.000  0.767  1.0
[/CIF]
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The material described by Al8Mg3FeSi6 is delta Molybdenum Boride-derived structured and crystallizes in the hexagonal P-62m space group. Mg(1) is bonded in a 7-coordinate geometry to one Al(3), four equivalent Al(1), and two equivalent Si(1) atoms. Fe(1) is bonded in a 9-coordinate geometry to three equivalent Al(2) and six equivalent Si(1) atoms. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a 9-coordinate geometry to three equivalent Mg(1), three equivalent Al(2), and three equivalent Si(1) atoms. In the second Al site, Al(2) is bonded in a 9-coordinate geometry to one Fe(1), four equivalent Al(1), and four equivalent Si(1) atoms. In the third Al site, Al(3) is bonded in a 9-coordinate geometry to three equivalent Mg(1) and six equivalent Si(1) atoms. Si(1) is bonded in a 7-coordinate geometry to one Mg(1), one Fe(1), one Al(3), two equivalent Al(1), and two equivalent Al(2) atoms. is represented by the CIF card [CIF]
data_Mg3Al8FeSi6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.733
_cell_length_b   6.733
_cell_length_c   7.687
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   301.822
_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  0.000  0.430  0.500  1.0
  Mg  Mg1  1  0.430  0.000  0.500  1.0
  Mg  Mg2  1  0.570  0.570  0.500  1.0
  Al  Al3  1  0.333  0.667  0.214  1.0
  Al  Al4  1  0.333  0.667  0.786  1.0
  Al  Al5  1  0.667  0.333  0.786  1.0
  Al  Al6  1  0.642  0.642  0.000  1.0
  Al  Al7  1  0.000  0.358  0.000  1.0
  Al  Al8  1  0.667  0.333  0.214  1.0
  Al  Al9  1  0.000  0.000  0.500  1.0
  Al  Al10  1  0.358  0.000  0.000  1.0
  Fe  Fe11  1  0.000  0.000  0.000  1.0
  Si  Si12  1  0.242  0.242  0.767  1.0
  Si  Si13  1  0.000  0.758  0.233  1.0
  Si  Si14  1  0.758  0.000  0.233  1.0
  Si  Si15  1  0.242  0.242  0.233  1.0
  Si  Si16  1  0.000  0.758  0.767  1.0
  Si  Si17  1  0.758  0.000  0.767  1.0
[/CIF]
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