The material structure described by Mn3Al9Si crystallizes in the hexagonal P6_3/mmc space group. Mn(1) is bonded in a 12-coordinate geometry to two equivalent Mn(1); two equivalent Al(2); six Al(1,1); and two equivalent Si(1) atoms. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a 13-coordinate geometry to three equivalent Mn(1); four equivalent Al(2); five Al(1,1); and one Si(1) atom. In the second Al site, Al(1) is bonded in a 13-coordinate geometry to three equivalent Mn(1); four equivalent Al(2); five Al(1,1); and one Si(1) atom. In the third Al site, Al(2) is bonded in a 2-coordinate geometry to two equivalent Mn(1) and eight Al(1,1) atoms. Si(1) is bonded to six equivalent Mn(1) and six Al(1,1) atoms to form face-sharing SiMn6Al6 cuboctahedra. is represented by the CIF file [CIF]
data_Mn3Al9Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.467
_cell_length_b   7.467
_cell_length_c   7.711
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   372.264
_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
  Mn  Mn0  1  0.767  0.883  0.250  1.0
  Mn  Mn1  1  0.117  0.883  0.250  1.0
  Mn  Mn2  1  0.883  0.767  0.750  1.0
  Mn  Mn3  1  0.233  0.117  0.750  1.0
  Mn  Mn4  1  0.883  0.117  0.750  1.0
  Mn  Mn5  1  0.117  0.233  0.250  1.0
  Al  Al6  1  0.797  0.203  0.438  1.0
  Al  Al7  1  0.797  0.203  0.062  1.0
  Al  Al8  1  0.203  0.797  0.562  1.0
  Al  Al9  1  0.203  0.406  0.562  1.0
  Al  Al10  1  0.594  0.797  0.562  1.0
  Al  Al11  1  0.406  0.203  0.062  1.0
  Al  Al12  1  0.458  0.917  0.250  1.0
  Al  Al13  1  0.542  0.458  0.750  1.0
  Al  Al14  1  0.917  0.458  0.750  1.0
  Al  Al15  1  0.797  0.594  0.062  1.0
  Al  Al16  1  0.458  0.542  0.250  1.0
  Al  Al17  1  0.542  0.083  0.750  1.0
  Al  Al18  1  0.203  0.406  0.938  1.0
  Al  Al19  1  0.083  0.542  0.250  1.0
  Al  Al20  1  0.406  0.203  0.438  1.0
  Al  Al21  1  0.594  0.797  0.938  1.0
  Al  Al22  1  0.203  0.797  0.938  1.0
  Al  Al23  1  0.797  0.594  0.438  1.0
  Si  Si24  1  1.000  0.000  0.000  1.0
  Si  Si25  1  1.000  0.000  0.500  1.0
[/CIF]
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The material structure described by Mn3Al9Si crystallizes in the hexagonal P6_3/mmc space group. Mn(1) is bonded in a 12-coordinate geometry to two equivalent Mn(1); two equivalent Al(2); six Al(1,1); and two equivalent Si(1) atoms. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a 13-coordinate geometry to three equivalent Mn(1); four equivalent Al(2); five Al(1,1); and one Si(1) atom. In the second Al site, Al(1) is bonded in a 13-coordinate geometry to three equivalent Mn(1); four equivalent Al(2); five Al(1,1); and one Si(1) atom. In the third Al site, Al(2) is bonded in a 2-coordinate geometry to two equivalent Mn(1) and eight Al(1,1) atoms. Si(1) is bonded to six equivalent Mn(1) and six Al(1,1) atoms to form face-sharing SiMn6Al6 cuboctahedra. is represented by the CIF file [CIF]
data_Mn3Al9Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.467
_cell_length_b   7.467
_cell_length_c   7.711
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   372.264
_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
  Mn  Mn0  1  0.767  0.883  0.250  1.0
  Mn  Mn1  1  0.117  0.883  0.250  1.0
  Mn  Mn2  1  0.883  0.767  0.750  1.0
  Mn  Mn3  1  0.233  0.117  0.750  1.0
  Mn  Mn4  1  0.883  0.117  0.750  1.0
  Mn  Mn5  1  0.117  0.233  0.250  1.0
  Al  Al6  1  0.797  0.203  0.438  1.0
  Al  Al7  1  0.797  0.203  0.062  1.0
  Al  Al8  1  0.203  0.797  0.562  1.0
  Al  Al9  1  0.203  0.406  0.562  1.0
  Al  Al10  1  0.594  0.797  0.562  1.0
  Al  Al11  1  0.406  0.203  0.062  1.0
  Al  Al12  1  0.458  0.917  0.250  1.0
  Al  Al13  1  0.542  0.458  0.750  1.0
  Al  Al14  1  0.917  0.458  0.750  1.0
  Al  Al15  1  0.797  0.594  0.062  1.0
  Al  Al16  1  0.458  0.542  0.250  1.0
  Al  Al17  1  0.542  0.083  0.750  1.0
  Al  Al18  1  0.203  0.406  0.938  1.0
  Al  Al19  1  0.083  0.542  0.250  1.0
  Al  Al20  1  0.406  0.203  0.438  1.0
  Al  Al21  1  0.594  0.797  0.938  1.0
  Al  Al22  1  0.203  0.797  0.938  1.0
  Al  Al23  1  0.797  0.594  0.438  1.0
  Si  Si24  1  1.000  0.000  0.000  1.0
  Si  Si25  1  1.000  0.000  0.500  1.0
[/CIF]
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