The compound described by Sm12Al7Si crystallizes in the tetragonal I4/mcm space group. There are three inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 6-coordinate geometry to one Al(2), one Al(3), three equivalent Al(1), and one Si(1) atom. In the second Sm site, Sm(2) is bonded in a 5-coordinate geometry to two equivalent Al(1) and three equivalent Al(3) atoms. In the third Sm site, Sm(3) is bonded in a 4-coordinate geometry to two equivalent Al(3) and four equivalent Al(1) atoms. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a 10-coordinate geometry to one Sm(2), two equivalent Sm(3), six equivalent Sm(1), and one Al(1) atom. In the second Al site, Al(2) is bonded in a body-centered cubic geometry to eight equivalent Sm(1) atoms. In the third Al site, Al(3) is bonded in a 9-coordinate geometry to two equivalent Sm(3), three equivalent Sm(2), and four equivalent Sm(1) atoms. Si(1) is bonded in a 8-coordinate geometry to eight equivalent Sm(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sm12Al7Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.492
_cell_length_b   11.492
_cell_length_c   11.492
_cell_angle_alpha   117.685
_cell_angle_beta   117.685
_cell_angle_gamma   94.058
_symmetry_Int_Tables_number   1
_cell_volume   1107.710
_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
  Sm  Sm0  1  0.834  0.703  0.264  1.0
  Sm  Sm1  1  0.166  0.297  0.736  1.0
  Sm  Sm2  1  0.439  0.570  0.736  1.0
  Sm  Sm3  1  0.703  0.439  0.869  1.0
  Sm  Sm4  1  0.061  0.797  0.131  1.0
  Sm  Sm5  1  0.561  0.430  0.264  1.0
  Sm  Sm6  1  0.297  0.561  0.131  1.0
  Sm  Sm7  1  0.939  0.203  0.869  1.0
  Sm  Sm8  1  0.570  0.834  0.131  1.0
  Sm  Sm9  1  0.666  0.930  0.869  1.0
  Sm  Sm10  1  0.430  0.166  0.869  1.0
  Sm  Sm11  1  0.334  0.070  0.131  1.0
  Sm  Sm12  1  0.930  0.061  0.264  1.0
  Sm  Sm13  1  0.070  0.939  0.736  1.0
  Sm  Sm14  1  0.797  0.666  0.736  1.0
  Sm  Sm15  1  0.203  0.334  0.264  1.0
  Sm  Sm16  1  0.168  0.668  0.837  1.0
  Sm  Sm17  1  0.832  0.332  0.163  1.0
  Sm  Sm18  1  0.668  0.832  0.500  1.0
  Sm  Sm19  1  0.332  0.168  0.500  1.0
  Sm  Sm20  1  0.148  0.648  0.500  1.0
  Sm  Sm21  1  0.852  0.352  0.500  1.0
  Sm  Sm22  1  0.648  0.148  0.500  1.0
  Sm  Sm23  1  0.352  0.852  0.500  1.0
  Al  Al24  1  0.384  0.884  0.856  1.0
  Al  Al25  1  0.616  0.116  0.144  1.0
  Al  Al26  1  0.027  0.527  0.144  1.0
  Al  Al27  1  0.884  0.027  0.500  1.0
  Al  Al28  1  0.473  0.616  0.500  1.0
  Al  Al29  1  0.973  0.473  0.856  1.0
  Al  Al30  1  0.116  0.973  0.500  1.0
  Al  Al31  1  0.527  0.384  0.500  1.0
  Al  Al32  1  0.500  0.500  0.000  1.0
  Al  Al33  1  0.000  0.000  0.000  1.0
  Al  Al34  1  0.619  0.119  0.737  1.0
  Al  Al35  1  0.381  0.881  0.263  1.0
  Al  Al36  1  0.119  0.381  0.500  1.0
  Al  Al37  1  0.881  0.619  0.500  1.0
  Si  Si38  1  0.750  0.750  0.000  1.0
  Si  Si39  1  0.250  0.250  0.000  1.0
[/CIF]
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The compound described by Sm12Al7Si crystallizes in the tetragonal I4/mcm space group. There are three inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 6-coordinate geometry to one Al(2), one Al(3), three equivalent Al(1), and one Si(1) atom. In the second Sm site, Sm(2) is bonded in a 5-coordinate geometry to two equivalent Al(1) and three equivalent Al(3) atoms. In the third Sm site, Sm(3) is bonded in a 4-coordinate geometry to two equivalent Al(3) and four equivalent Al(1) atoms. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a 10-coordinate geometry to one Sm(2), two equivalent Sm(3), six equivalent Sm(1), and one Al(1) atom. In the second Al site, Al(2) is bonded in a body-centered cubic geometry to eight equivalent Sm(1) atoms. In the third Al site, Al(3) is bonded in a 9-coordinate geometry to two equivalent Sm(3), three equivalent Sm(2), and four equivalent Sm(1) atoms. Si(1) is bonded in a 8-coordinate geometry to eight equivalent Sm(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sm12Al7Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.492
_cell_length_b   11.492
_cell_length_c   11.492
_cell_angle_alpha   117.685
_cell_angle_beta   117.685
_cell_angle_gamma   94.058
_symmetry_Int_Tables_number   1
_cell_volume   1107.710
_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
  Sm  Sm0  1  0.834  0.703  0.264  1.0
  Sm  Sm1  1  0.166  0.297  0.736  1.0
  Sm  Sm2  1  0.439  0.570  0.736  1.0
  Sm  Sm3  1  0.703  0.439  0.869  1.0
  Sm  Sm4  1  0.061  0.797  0.131  1.0
  Sm  Sm5  1  0.561  0.430  0.264  1.0
  Sm  Sm6  1  0.297  0.561  0.131  1.0
  Sm  Sm7  1  0.939  0.203  0.869  1.0
  Sm  Sm8  1  0.570  0.834  0.131  1.0
  Sm  Sm9  1  0.666  0.930  0.869  1.0
  Sm  Sm10  1  0.430  0.166  0.869  1.0
  Sm  Sm11  1  0.334  0.070  0.131  1.0
  Sm  Sm12  1  0.930  0.061  0.264  1.0
  Sm  Sm13  1  0.070  0.939  0.736  1.0
  Sm  Sm14  1  0.797  0.666  0.736  1.0
  Sm  Sm15  1  0.203  0.334  0.264  1.0
  Sm  Sm16  1  0.168  0.668  0.837  1.0
  Sm  Sm17  1  0.832  0.332  0.163  1.0
  Sm  Sm18  1  0.668  0.832  0.500  1.0
  Sm  Sm19  1  0.332  0.168  0.500  1.0
  Sm  Sm20  1  0.148  0.648  0.500  1.0
  Sm  Sm21  1  0.852  0.352  0.500  1.0
  Sm  Sm22  1  0.648  0.148  0.500  1.0
  Sm  Sm23  1  0.352  0.852  0.500  1.0
  Al  Al24  1  0.384  0.884  0.856  1.0
  Al  Al25  1  0.616  0.116  0.144  1.0
  Al  Al26  1  0.027  0.527  0.144  1.0
  Al  Al27  1  0.884  0.027  0.500  1.0
  Al  Al28  1  0.473  0.616  0.500  1.0
  Al  Al29  1  0.973  0.473  0.856  1.0
  Al  Al30  1  0.116  0.973  0.500  1.0
  Al  Al31  1  0.527  0.384  0.500  1.0
  Al  Al32  1  0.500  0.500  0.000  1.0
  Al  Al33  1  0.000  0.000  0.000  1.0
  Al  Al34  1  0.619  0.119  0.737  1.0
  Al  Al35  1  0.381  0.881  0.263  1.0
  Al  Al36  1  0.119  0.381  0.500  1.0
  Al  Al37  1  0.881  0.619  0.500  1.0
  Si  Si38  1  0.750  0.750  0.000  1.0
  Si  Si39  1  0.250  0.250  0.000  1.0
[/CIF]
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