The structure described by Tb6Al3Si crystallizes in the tetragonal I4/mcm space group. There are three inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 6-coordinate geometry to one Al(1), three equivalent Al(2), one Si(1), and one Si(2) atom. In the second Tb site, Tb(2) is bonded to two equivalent Al(2) and three equivalent Al(1) atoms to form a mixture of distorted corner and edge-sharing TbAl5 trigonal bipyramids. In the third Tb site, Tb(3) is bonded in a 4-coordinate geometry to two equivalent Al(1) and four equivalent Al(2) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 9-coordinate geometry to two equivalent Tb(3), three equivalent Tb(2), and four equivalent Tb(1) atoms. In the second Al site, Al(2) is bonded in a 10-coordinate geometry to one Tb(2), two equivalent Tb(3), six equivalent Tb(1), and one Al(2) atom. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a body-centered cubic geometry to eight equivalent Tb(1) atoms. In the second Si site, Si(2) is bonded in a 8-coordinate geometry to eight equivalent Tb(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tb6Al3Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.241
_cell_length_b   11.241
_cell_length_c   11.241
_cell_angle_alpha   117.727
_cell_angle_beta   117.727
_cell_angle_gamma   93.984
_symmetry_Int_Tables_number   1
_cell_volume   1036.170
_cell_formula_units_Z   4
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
  Tb  Tb0  1  0.330  0.070  0.132  1.0
  Tb  Tb1  1  0.562  0.430  0.260  1.0
  Tb  Tb2  1  0.198  0.330  0.260  1.0
  Tb  Tb3  1  0.070  0.938  0.740  1.0
  Tb  Tb4  1  0.669  0.831  0.500  1.0
  Tb  Tb5  1  0.831  0.331  0.162  1.0
  Tb  Tb6  1  0.169  0.669  0.838  1.0
  Tb  Tb7  1  0.331  0.169  0.500  1.0
  Tb  Tb8  1  0.938  0.198  0.868  1.0
  Tb  Tb9  1  0.430  0.170  0.868  1.0
  Tb  Tb10  1  0.302  0.562  0.132  1.0
  Tb  Tb11  1  0.170  0.302  0.740  1.0
  Tb  Tb12  1  0.930  0.062  0.260  1.0
  Tb  Tb13  1  0.802  0.670  0.740  1.0
  Tb  Tb14  1  0.438  0.570  0.740  1.0
  Tb  Tb15  1  0.670  0.930  0.868  1.0
  Tb  Tb16  1  0.062  0.802  0.132  1.0
  Tb  Tb17  1  0.570  0.830  0.132  1.0
  Tb  Tb18  1  0.698  0.438  0.868  1.0
  Tb  Tb19  1  0.830  0.698  0.260  1.0
  Tb  Tb20  1  0.148  0.648  0.500  1.0
  Tb  Tb21  1  0.648  0.148  0.500  1.0
  Tb  Tb22  1  0.352  0.852  0.500  1.0
  Tb  Tb23  1  0.852  0.352  0.500  1.0
  Al  Al24  1  0.120  0.380  0.500  1.0
  Al  Al25  1  0.380  0.880  0.261  1.0
  Al  Al26  1  0.620  0.120  0.739  1.0
  Al  Al27  1  0.880  0.620  0.500  1.0
  Al  Al28  1  0.117  0.974  0.500  1.0
  Al  Al29  1  0.474  0.617  0.500  1.0
  Al  Al30  1  0.526  0.383  0.500  1.0
  Al  Al31  1  0.617  0.117  0.144  1.0
  Al  Al32  1  0.974  0.474  0.856  1.0
  Al  Al33  1  0.383  0.883  0.856  1.0
  Al  Al34  1  0.026  0.526  0.144  1.0
  Al  Al35  1  0.883  0.026  0.500  1.0
  Si  Si36  1  0.000  0.000  0.000  1.0
  Si  Si37  1  0.500  0.500  0.000  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]
.
The structure described by Tb6Al3Si crystallizes in the tetragonal I4/mcm space group. There are three inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 6-coordinate geometry to one Al(1), three equivalent Al(2), one Si(1), and one Si(2) atom. In the second Tb site, Tb(2) is bonded to two equivalent Al(2) and three equivalent Al(1) atoms to form a mixture of distorted corner and edge-sharing TbAl5 trigonal bipyramids. In the third Tb site, Tb(3) is bonded in a 4-coordinate geometry to two equivalent Al(1) and four equivalent Al(2) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 9-coordinate geometry to two equivalent Tb(3), three equivalent Tb(2), and four equivalent Tb(1) atoms. In the second Al site, Al(2) is bonded in a 10-coordinate geometry to one Tb(2), two equivalent Tb(3), six equivalent Tb(1), and one Al(2) atom. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a body-centered cubic geometry to eight equivalent Tb(1) atoms. In the second Si site, Si(2) is bonded in a 8-coordinate geometry to eight equivalent Tb(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tb6Al3Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.241
_cell_length_b   11.241
_cell_length_c   11.241
_cell_angle_alpha   117.727
_cell_angle_beta   117.727
_cell_angle_gamma   93.984
_symmetry_Int_Tables_number   1
_cell_volume   1036.170
_cell_formula_units_Z   4
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
  Tb  Tb0  1  0.330  0.070  0.132  1.0
  Tb  Tb1  1  0.562  0.430  0.260  1.0
  Tb  Tb2  1  0.198  0.330  0.260  1.0
  Tb  Tb3  1  0.070  0.938  0.740  1.0
  Tb  Tb4  1  0.669  0.831  0.500  1.0
  Tb  Tb5  1  0.831  0.331  0.162  1.0
  Tb  Tb6  1  0.169  0.669  0.838  1.0
  Tb  Tb7  1  0.331  0.169  0.500  1.0
  Tb  Tb8  1  0.938  0.198  0.868  1.0
  Tb  Tb9  1  0.430  0.170  0.868  1.0
  Tb  Tb10  1  0.302  0.562  0.132  1.0
  Tb  Tb11  1  0.170  0.302  0.740  1.0
  Tb  Tb12  1  0.930  0.062  0.260  1.0
  Tb  Tb13  1  0.802  0.670  0.740  1.0
  Tb  Tb14  1  0.438  0.570  0.740  1.0
  Tb  Tb15  1  0.670  0.930  0.868  1.0
  Tb  Tb16  1  0.062  0.802  0.132  1.0
  Tb  Tb17  1  0.570  0.830  0.132  1.0
  Tb  Tb18  1  0.698  0.438  0.868  1.0
  Tb  Tb19  1  0.830  0.698  0.260  1.0
  Tb  Tb20  1  0.148  0.648  0.500  1.0
  Tb  Tb21  1  0.648  0.148  0.500  1.0
  Tb  Tb22  1  0.352  0.852  0.500  1.0
  Tb  Tb23  1  0.852  0.352  0.500  1.0
  Al  Al24  1  0.120  0.380  0.500  1.0
  Al  Al25  1  0.380  0.880  0.261  1.0
  Al  Al26  1  0.620  0.120  0.739  1.0
  Al  Al27  1  0.880  0.620  0.500  1.0
  Al  Al28  1  0.117  0.974  0.500  1.0
  Al  Al29  1  0.474  0.617  0.500  1.0
  Al  Al30  1  0.526  0.383  0.500  1.0
  Al  Al31  1  0.617  0.117  0.144  1.0
  Al  Al32  1  0.974  0.474  0.856  1.0
  Al  Al33  1  0.383  0.883  0.856  1.0
  Al  Al34  1  0.026  0.526  0.144  1.0
  Al  Al35  1  0.883  0.026  0.500  1.0
  Si  Si36  1  0.000  0.000  0.000  1.0
  Si  Si37  1  0.500  0.500  0.000  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]
.