The material described by Sc3Mn3Al7Si5 crystallizes in the hexagonal P6_3/mmc space group. Sc(1) is bonded in a 11-coordinate geometry to one Al(2), six equivalent Al(1), two equivalent Si(1), and two equivalent Si(2) atoms. Mn(1) is bonded in a 8-coordinate geometry to four equivalent Al(1), two equivalent Si(1), and two equivalent Si(2) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 11-coordinate geometry to three equivalent Sc(1), two equivalent Mn(1), one Al(2), two equivalent Al(1), one Si(2), and two equivalent Si(1) atoms. In the second Al site, Al(2) is bonded in a 9-coordinate geometry to three equivalent Sc(1) and six equivalent Al(1) atoms. There are two inequivalent Si sites. In the first Si site, Si(2) is bonded in a 9-coordinate geometry to three equivalent Sc(1), three equivalent Mn(1), and three equivalent Al(1) atoms. In the second Si site, Si(1) is bonded in a 8-coordinate geometry to two equivalent Sc(1), two equivalent Mn(1), and four equivalent Al(1) atoms. is represented by the CIF file [CIF]
data_Sc3Mn3Al7Si5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.276
_cell_length_b   8.276
_cell_length_c   8.910
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   528.533
_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
  Sc  Sc0  1  0.200  0.800  0.250  1.0
  Sc  Sc1  1  0.200  0.400  0.250  1.0
  Sc  Sc2  1  0.600  0.800  0.250  1.0
  Sc  Sc3  1  0.800  0.200  0.750  1.0
  Sc  Sc4  1  0.800  0.600  0.750  1.0
  Sc  Sc5  1  0.400  0.200  0.750  1.0
  Mn  Mn6  1  0.500  0.500  0.500  1.0
  Mn  Mn7  1  0.500  0.000  0.500  1.0
  Mn  Mn8  1  0.000  0.500  0.500  1.0
  Mn  Mn9  1  0.500  0.500  0.000  1.0
  Mn  Mn10  1  0.500  0.000  0.000  1.0
  Mn  Mn11  1  0.000  0.500  0.000  1.0
  Al  Al12  1  0.164  0.836  0.920  1.0
  Al  Al13  1  0.164  0.329  0.920  1.0
  Al  Al14  1  0.671  0.836  0.920  1.0
  Al  Al15  1  0.836  0.164  0.080  1.0
  Al  Al16  1  0.836  0.671  0.080  1.0
  Al  Al17  1  0.329  0.164  0.080  1.0
  Al  Al18  1  0.836  0.164  0.420  1.0
  Al  Al19  1  0.836  0.671  0.420  1.0
  Al  Al20  1  0.329  0.164  0.420  1.0
  Al  Al21  1  0.164  0.836  0.580  1.0
  Al  Al22  1  0.164  0.329  0.580  1.0
  Al  Al23  1  0.671  0.836  0.580  1.0
  Al  Al24  1  0.000  0.000  0.250  1.0
  Al  Al25  1  1.000  1.000  0.750  1.0
  Si  Si26  1  0.560  0.440  0.250  1.0
  Si  Si27  1  0.560  0.120  0.250  1.0
  Si  Si28  1  0.880  0.440  0.250  1.0
  Si  Si29  1  0.440  0.560  0.750  1.0
  Si  Si30  1  0.440  0.880  0.750  1.0
  Si  Si31  1  0.120  0.560  0.750  1.0
  Si  Si32  1  0.333  0.667  0.462  1.0
  Si  Si33  1  0.667  0.333  0.538  1.0
  Si  Si34  1  0.667  0.333  0.962  1.0
  Si  Si35  1  0.333  0.667  0.038  1.0
[/CIF]
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The material described by Sc3Mn3Al7Si5 crystallizes in the hexagonal P6_3/mmc space group. Sc(1) is bonded in a 11-coordinate geometry to one Al(2), six equivalent Al(1), two equivalent Si(1), and two equivalent Si(2) atoms. Mn(1) is bonded in a 8-coordinate geometry to four equivalent Al(1), two equivalent Si(1), and two equivalent Si(2) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 11-coordinate geometry to three equivalent Sc(1), two equivalent Mn(1), one Al(2), two equivalent Al(1), one Si(2), and two equivalent Si(1) atoms. In the second Al site, Al(2) is bonded in a 9-coordinate geometry to three equivalent Sc(1) and six equivalent Al(1) atoms. There are two inequivalent Si sites. In the first Si site, Si(2) is bonded in a 9-coordinate geometry to three equivalent Sc(1), three equivalent Mn(1), and three equivalent Al(1) atoms. In the second Si site, Si(1) is bonded in a 8-coordinate geometry to two equivalent Sc(1), two equivalent Mn(1), and four equivalent Al(1) atoms. is represented by the CIF file [CIF]
data_Sc3Mn3Al7Si5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.276
_cell_length_b   8.276
_cell_length_c   8.910
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   528.533
_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
  Sc  Sc0  1  0.200  0.800  0.250  1.0
  Sc  Sc1  1  0.200  0.400  0.250  1.0
  Sc  Sc2  1  0.600  0.800  0.250  1.0
  Sc  Sc3  1  0.800  0.200  0.750  1.0
  Sc  Sc4  1  0.800  0.600  0.750  1.0
  Sc  Sc5  1  0.400  0.200  0.750  1.0
  Mn  Mn6  1  0.500  0.500  0.500  1.0
  Mn  Mn7  1  0.500  0.000  0.500  1.0
  Mn  Mn8  1  0.000  0.500  0.500  1.0
  Mn  Mn9  1  0.500  0.500  0.000  1.0
  Mn  Mn10  1  0.500  0.000  0.000  1.0
  Mn  Mn11  1  0.000  0.500  0.000  1.0
  Al  Al12  1  0.164  0.836  0.920  1.0
  Al  Al13  1  0.164  0.329  0.920  1.0
  Al  Al14  1  0.671  0.836  0.920  1.0
  Al  Al15  1  0.836  0.164  0.080  1.0
  Al  Al16  1  0.836  0.671  0.080  1.0
  Al  Al17  1  0.329  0.164  0.080  1.0
  Al  Al18  1  0.836  0.164  0.420  1.0
  Al  Al19  1  0.836  0.671  0.420  1.0
  Al  Al20  1  0.329  0.164  0.420  1.0
  Al  Al21  1  0.164  0.836  0.580  1.0
  Al  Al22  1  0.164  0.329  0.580  1.0
  Al  Al23  1  0.671  0.836  0.580  1.0
  Al  Al24  1  0.000  0.000  0.250  1.0
  Al  Al25  1  1.000  1.000  0.750  1.0
  Si  Si26  1  0.560  0.440  0.250  1.0
  Si  Si27  1  0.560  0.120  0.250  1.0
  Si  Si28  1  0.880  0.440  0.250  1.0
  Si  Si29  1  0.440  0.560  0.750  1.0
  Si  Si30  1  0.440  0.880  0.750  1.0
  Si  Si31  1  0.120  0.560  0.750  1.0
  Si  Si32  1  0.333  0.667  0.462  1.0
  Si  Si33  1  0.667  0.333  0.538  1.0
  Si  Si34  1  0.667  0.333  0.962  1.0
  Si  Si35  1  0.333  0.667  0.038  1.0
[/CIF]
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