The structure described by Mg2(AlSi2)3 is Magnesium tetraboride-derived structured and crystallizes in the monoclinic C2/m space group. Mg(1) is bonded in a 6-coordinate geometry to one Al(2), two equivalent Si(1), two equivalent Si(2), and three equivalent Si(3) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 4-coordinate geometry to two equivalent Si(3) and four equivalent Si(2) atoms. In the second Al site, Al(2) is bonded in a 6-coordinate geometry to two equivalent Mg(1) and four equivalent Si(2) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 6-coordinate geometry to two equivalent Mg(1), one Si(2), and three equivalent Si(3) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to two equivalent Mg(1), two equivalent Al(2), four equivalent Al(1), and one Si(1) atom. In the third Si site, Si(3) is bonded in a 8-coordinate geometry to three equivalent Mg(1), two equivalent Al(1), and three equivalent Si(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg2(AlSi2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.634
_cell_length_b   6.722
_cell_length_c   8.142
_cell_angle_alpha   90.988
_cell_angle_beta   102.896
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   193.844
_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  0.830  0.014  0.659  1.0
  Mg  Mg1  1  0.170  0.986  0.341  1.0
  Al  Al2  1  0.072  0.386  0.143  1.0
  Al  Al3  1  0.928  0.614  0.857  1.0
  Al  Al4  1  0.000  0.000  0.000  1.0
  Si  Si5  1  0.306  0.344  0.612  1.0
  Si  Si6  1  0.694  0.656  0.388  1.0
  Si  Si7  1  0.454  0.258  0.908  1.0
  Si  Si8  1  0.546  0.742  0.092  1.0
  Si  Si9  1  0.701  0.296  0.401  1.0
  Si  Si10  1  0.299  0.704  0.599  1.0
[/CIF]
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The structure described by Mg2(AlSi2)3 is Magnesium tetraboride-derived structured and crystallizes in the monoclinic C2/m space group. Mg(1) is bonded in a 6-coordinate geometry to one Al(2), two equivalent Si(1), two equivalent Si(2), and three equivalent Si(3) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 4-coordinate geometry to two equivalent Si(3) and four equivalent Si(2) atoms. In the second Al site, Al(2) is bonded in a 6-coordinate geometry to two equivalent Mg(1) and four equivalent Si(2) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 6-coordinate geometry to two equivalent Mg(1), one Si(2), and three equivalent Si(3) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to two equivalent Mg(1), two equivalent Al(2), four equivalent Al(1), and one Si(1) atom. In the third Si site, Si(3) is bonded in a 8-coordinate geometry to three equivalent Mg(1), two equivalent Al(1), and three equivalent Si(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg2(AlSi2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.634
_cell_length_b   6.722
_cell_length_c   8.142
_cell_angle_alpha   90.988
_cell_angle_beta   102.896
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   193.844
_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  0.830  0.014  0.659  1.0
  Mg  Mg1  1  0.170  0.986  0.341  1.0
  Al  Al2  1  0.072  0.386  0.143  1.0
  Al  Al3  1  0.928  0.614  0.857  1.0
  Al  Al4  1  0.000  0.000  0.000  1.0
  Si  Si5  1  0.306  0.344  0.612  1.0
  Si  Si6  1  0.694  0.656  0.388  1.0
  Si  Si7  1  0.454  0.258  0.908  1.0
  Si  Si8  1  0.546  0.742  0.092  1.0
  Si  Si9  1  0.701  0.296  0.401  1.0
  Si  Si10  1  0.299  0.704  0.599  1.0
[/CIF]
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