The structure described by Tm12Al7Si crystallizes in the tetragonal I4/mcm space group. There are three inequivalent Tm sites. In the first Tm site, Tm(1) is bonded in a 4-coordinate geometry to two equivalent Al(1) and four equivalent Al(3) atoms. In the second Tm site, Tm(2) is bonded in a 6-coordinate geometry to one Al(1), one Al(2), three equivalent Al(3), and one Si(1) atom. In the third Tm site, Tm(3) is bonded in a 5-coordinate geometry to two equivalent Al(3) and three equivalent Al(1) atoms. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a 9-coordinate geometry to two equivalent Tm(1), three equivalent Tm(3), and four equivalent Tm(2) atoms. In the second Al site, Al(2) is bonded in a body-centered cubic geometry to eight equivalent Tm(2) atoms. In the third Al site, Al(3) is bonded in a 10-coordinate geometry to one Tm(3), two equivalent Tm(1), six equivalent Tm(2), and one Al(3) atom. Si(1) is bonded in a 8-coordinate geometry to eight equivalent Tm(2) atoms. is represented by the CIF card [CIF]
data_Tm12Al7Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.029
_cell_length_b   11.029
_cell_length_c   11.029
_cell_angle_alpha   117.422
_cell_angle_beta   117.422
_cell_angle_gamma   94.526
_symmetry_Int_Tables_number   1
_cell_volume   982.370
_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
  Tm  Tm0  1  0.147  0.647  0.500  1.0
  Tm  Tm1  1  0.853  0.353  0.500  1.0
  Tm  Tm2  1  0.647  0.147  0.500  1.0
  Tm  Tm3  1  0.353  0.853  0.500  1.0
  Tm  Tm4  1  0.838  0.701  0.265  1.0
  Tm  Tm5  1  0.162  0.299  0.735  1.0
  Tm  Tm6  1  0.436  0.573  0.735  1.0
  Tm  Tm7  1  0.701  0.436  0.863  1.0
  Tm  Tm8  1  0.064  0.799  0.137  1.0
  Tm  Tm9  1  0.564  0.427  0.265  1.0
  Tm  Tm10  1  0.299  0.564  0.137  1.0
  Tm  Tm11  1  0.936  0.201  0.863  1.0
  Tm  Tm12  1  0.573  0.838  0.137  1.0
  Tm  Tm13  1  0.662  0.927  0.863  1.0
  Tm  Tm14  1  0.427  0.162  0.863  1.0
  Tm  Tm15  1  0.338  0.073  0.137  1.0
  Tm  Tm16  1  0.927  0.064  0.265  1.0
  Tm  Tm17  1  0.073  0.936  0.735  1.0
  Tm  Tm18  1  0.799  0.662  0.735  1.0
  Tm  Tm19  1  0.201  0.338  0.265  1.0
  Tm  Tm20  1  0.171  0.671  0.842  1.0
  Tm  Tm21  1  0.829  0.329  0.158  1.0
  Tm  Tm22  1  0.671  0.829  0.500  1.0
  Tm  Tm23  1  0.329  0.171  0.500  1.0
  Al  Al24  1  0.619  0.119  0.738  1.0
  Al  Al25  1  0.381  0.881  0.262  1.0
  Al  Al26  1  0.119  0.381  0.500  1.0
  Al  Al27  1  0.881  0.619  0.500  1.0
  Al  Al28  1  0.500  0.500  1.000  1.0
  Al  Al29  1  0.000  0.000  0.000  1.0
  Al  Al30  1  0.381  0.881  0.856  1.0
  Al  Al31  1  0.619  0.119  0.144  1.0
  Al  Al32  1  0.025  0.525  0.144  1.0
  Al  Al33  1  0.881  0.025  0.500  1.0
  Al  Al34  1  0.475  0.619  0.500  1.0
  Al  Al35  1  0.975  0.475  0.856  1.0
  Al  Al36  1  0.119  0.975  0.500  1.0
  Al  Al37  1  0.525  0.381  0.500  1.0
  Si  Si38  1  0.750  0.750  1.000  1.0
  Si  Si39  1  0.250  0.250  1.000  1.0
[/CIF]
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The structure described by Tm12Al7Si crystallizes in the tetragonal I4/mcm space group. There are three inequivalent Tm sites. In the first Tm site, Tm(1) is bonded in a 4-coordinate geometry to two equivalent Al(1) and four equivalent Al(3) atoms. In the second Tm site, Tm(2) is bonded in a 6-coordinate geometry to one Al(1), one Al(2), three equivalent Al(3), and one Si(1) atom. In the third Tm site, Tm(3) is bonded in a 5-coordinate geometry to two equivalent Al(3) and three equivalent Al(1) atoms. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a 9-coordinate geometry to two equivalent Tm(1), three equivalent Tm(3), and four equivalent Tm(2) atoms. In the second Al site, Al(2) is bonded in a body-centered cubic geometry to eight equivalent Tm(2) atoms. In the third Al site, Al(3) is bonded in a 10-coordinate geometry to one Tm(3), two equivalent Tm(1), six equivalent Tm(2), and one Al(3) atom. Si(1) is bonded in a 8-coordinate geometry to eight equivalent Tm(2) atoms. is represented by the CIF card [CIF]
data_Tm12Al7Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.029
_cell_length_b   11.029
_cell_length_c   11.029
_cell_angle_alpha   117.422
_cell_angle_beta   117.422
_cell_angle_gamma   94.526
_symmetry_Int_Tables_number   1
_cell_volume   982.370
_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
  Tm  Tm0  1  0.147  0.647  0.500  1.0
  Tm  Tm1  1  0.853  0.353  0.500  1.0
  Tm  Tm2  1  0.647  0.147  0.500  1.0
  Tm  Tm3  1  0.353  0.853  0.500  1.0
  Tm  Tm4  1  0.838  0.701  0.265  1.0
  Tm  Tm5  1  0.162  0.299  0.735  1.0
  Tm  Tm6  1  0.436  0.573  0.735  1.0
  Tm  Tm7  1  0.701  0.436  0.863  1.0
  Tm  Tm8  1  0.064  0.799  0.137  1.0
  Tm  Tm9  1  0.564  0.427  0.265  1.0
  Tm  Tm10  1  0.299  0.564  0.137  1.0
  Tm  Tm11  1  0.936  0.201  0.863  1.0
  Tm  Tm12  1  0.573  0.838  0.137  1.0
  Tm  Tm13  1  0.662  0.927  0.863  1.0
  Tm  Tm14  1  0.427  0.162  0.863  1.0
  Tm  Tm15  1  0.338  0.073  0.137  1.0
  Tm  Tm16  1  0.927  0.064  0.265  1.0
  Tm  Tm17  1  0.073  0.936  0.735  1.0
  Tm  Tm18  1  0.799  0.662  0.735  1.0
  Tm  Tm19  1  0.201  0.338  0.265  1.0
  Tm  Tm20  1  0.171  0.671  0.842  1.0
  Tm  Tm21  1  0.829  0.329  0.158  1.0
  Tm  Tm22  1  0.671  0.829  0.500  1.0
  Tm  Tm23  1  0.329  0.171  0.500  1.0
  Al  Al24  1  0.619  0.119  0.738  1.0
  Al  Al25  1  0.381  0.881  0.262  1.0
  Al  Al26  1  0.119  0.381  0.500  1.0
  Al  Al27  1  0.881  0.619  0.500  1.0
  Al  Al28  1  0.500  0.500  1.000  1.0
  Al  Al29  1  0.000  0.000  0.000  1.0
  Al  Al30  1  0.381  0.881  0.856  1.0
  Al  Al31  1  0.619  0.119  0.144  1.0
  Al  Al32  1  0.025  0.525  0.144  1.0
  Al  Al33  1  0.881  0.025  0.500  1.0
  Al  Al34  1  0.475  0.619  0.500  1.0
  Al  Al35  1  0.975  0.475  0.856  1.0
  Al  Al36  1  0.119  0.975  0.500  1.0
  Al  Al37  1  0.525  0.381  0.500  1.0
  Si  Si38  1  0.750  0.750  1.000  1.0
  Si  Si39  1  0.250  0.250  1.000  1.0
[/CIF]
.