The compound described by Tb2Al17 crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 18-coordinate geometry to six equivalent Al(3) and twelve equivalent Al(4) atoms. In the second Tb site, Tb(2) is bonded in a 20-coordinate geometry to two equivalent Al(1), six equivalent Al(2), six equivalent Al(3), and six equivalent Al(4) atoms. There are four inequivalent Al sites. In the first Al site, Al(1) is bonded in a 2-coordinate geometry to one Tb(2), one Al(1), three equivalent Al(2), and three equivalent Al(4) atoms. In the second Al site, Al(2) is bonded to two equivalent Tb(2), two equivalent Al(1), four equivalent Al(3), and four equivalent Al(4) atoms to form AlTb2Al10 cuboctahedra that share corners with four equivalent Al(2)Tb2Al10 cuboctahedra, corners with ten equivalent Al(4)Tb3Al9 cuboctahedra, edges with six equivalent Al(4)Tb3Al9 cuboctahedra, faces with four equivalent Al(4)Tb3Al9 cuboctahedra, and faces with six equivalent Al(2)Tb2Al10 cuboctahedra. In the third Al site, Al(3) is bonded in a 10-coordinate geometry to one Tb(1), one Tb(2), two equivalent Al(2), two equivalent Al(3), and four equivalent Al(4) atoms. In the fourth Al site, Al(4) is bonded to one Tb(2), two equivalent Tb(1), one Al(1), two equivalent Al(2), two equivalent Al(4), and four equivalent Al(3) atoms to form distorted AlTb3Al9 cuboctahedra that share corners with five equivalent Al(2)Tb2Al10 cuboctahedra, corners with ten equivalent Al(4)Tb3Al9 cuboctahedra, edges with three equivalent Al(2)Tb2Al10 cuboctahedra, edges with five equivalent Al(4)Tb3Al9 cuboctahedra, faces with two equivalent Al(2)Tb2Al10 cuboctahedra, and faces with eight equivalent Al(4)Tb3Al9 cuboctahedra. is represented by the CIF card [CIF]
data_Tb2Al17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.476
_cell_length_b   9.476
_cell_length_c   8.877
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   690.358
_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
  Tb  Tb0  1  0.000  0.000  0.250  1.0
  Tb  Tb1  1  0.000  0.000  0.750  1.0
  Tb  Tb2  1  0.333  0.667  0.750  1.0
  Tb  Tb3  1  0.667  0.333  0.250  1.0
  Al  Al4  1  0.333  0.667  0.399  1.0
  Al  Al5  1  0.667  0.333  0.601  1.0
  Al  Al6  1  0.667  0.333  0.899  1.0
  Al  Al7  1  0.333  0.667  0.101  1.0
  Al  Al8  1  0.500  0.500  0.500  1.0
  Al  Al9  1  0.500  0.000  0.500  1.0
  Al  Al10  1  0.000  0.500  0.500  1.0
  Al  Al11  1  0.500  0.500  0.000  1.0
  Al  Al12  1  0.500  0.000  0.000  1.0
  Al  Al13  1  0.000  0.500  0.000  1.0
  Al  Al14  1  0.328  0.364  0.250  1.0
  Al  Al15  1  0.636  0.963  0.250  1.0
  Al  Al16  1  0.037  0.672  0.250  1.0
  Al  Al17  1  0.636  0.672  0.250  1.0
  Al  Al18  1  0.037  0.364  0.250  1.0
  Al  Al19  1  0.328  0.963  0.250  1.0
  Al  Al20  1  0.672  0.636  0.750  1.0
  Al  Al21  1  0.364  0.037  0.750  1.0
  Al  Al22  1  0.963  0.328  0.750  1.0
  Al  Al23  1  0.364  0.328  0.750  1.0
  Al  Al24  1  0.963  0.636  0.750  1.0
  Al  Al25  1  0.672  0.037  0.750  1.0
  Al  Al26  1  0.163  0.837  0.527  1.0
  Al  Al27  1  0.163  0.327  0.527  1.0
  Al  Al28  1  0.673  0.837  0.527  1.0
  Al  Al29  1  0.837  0.163  0.473  1.0
  Al  Al30  1  0.837  0.673  0.473  1.0
  Al  Al31  1  0.327  0.163  0.473  1.0
  Al  Al32  1  0.837  0.163  0.027  1.0
  Al  Al33  1  0.837  0.673  0.027  1.0
  Al  Al34  1  0.327  0.163  0.027  1.0
  Al  Al35  1  0.163  0.837  0.973  1.0
  Al  Al36  1  0.163  0.327  0.973  1.0
  Al  Al37  1  0.673  0.837  0.973  1.0
[/CIF]
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The compound described by Tb2Al17 crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 18-coordinate geometry to six equivalent Al(3) and twelve equivalent Al(4) atoms. In the second Tb site, Tb(2) is bonded in a 20-coordinate geometry to two equivalent Al(1), six equivalent Al(2), six equivalent Al(3), and six equivalent Al(4) atoms. There are four inequivalent Al sites. In the first Al site, Al(1) is bonded in a 2-coordinate geometry to one Tb(2), one Al(1), three equivalent Al(2), and three equivalent Al(4) atoms. In the second Al site, Al(2) is bonded to two equivalent Tb(2), two equivalent Al(1), four equivalent Al(3), and four equivalent Al(4) atoms to form AlTb2Al10 cuboctahedra that share corners with four equivalent Al(2)Tb2Al10 cuboctahedra, corners with ten equivalent Al(4)Tb3Al9 cuboctahedra, edges with six equivalent Al(4)Tb3Al9 cuboctahedra, faces with four equivalent Al(4)Tb3Al9 cuboctahedra, and faces with six equivalent Al(2)Tb2Al10 cuboctahedra. In the third Al site, Al(3) is bonded in a 10-coordinate geometry to one Tb(1), one Tb(2), two equivalent Al(2), two equivalent Al(3), and four equivalent Al(4) atoms. In the fourth Al site, Al(4) is bonded to one Tb(2), two equivalent Tb(1), one Al(1), two equivalent Al(2), two equivalent Al(4), and four equivalent Al(3) atoms to form distorted AlTb3Al9 cuboctahedra that share corners with five equivalent Al(2)Tb2Al10 cuboctahedra, corners with ten equivalent Al(4)Tb3Al9 cuboctahedra, edges with three equivalent Al(2)Tb2Al10 cuboctahedra, edges with five equivalent Al(4)Tb3Al9 cuboctahedra, faces with two equivalent Al(2)Tb2Al10 cuboctahedra, and faces with eight equivalent Al(4)Tb3Al9 cuboctahedra. is represented by the CIF card [CIF]
data_Tb2Al17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.476
_cell_length_b   9.476
_cell_length_c   8.877
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   690.358
_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
  Tb  Tb0  1  0.000  0.000  0.250  1.0
  Tb  Tb1  1  0.000  0.000  0.750  1.0
  Tb  Tb2  1  0.333  0.667  0.750  1.0
  Tb  Tb3  1  0.667  0.333  0.250  1.0
  Al  Al4  1  0.333  0.667  0.399  1.0
  Al  Al5  1  0.667  0.333  0.601  1.0
  Al  Al6  1  0.667  0.333  0.899  1.0
  Al  Al7  1  0.333  0.667  0.101  1.0
  Al  Al8  1  0.500  0.500  0.500  1.0
  Al  Al9  1  0.500  0.000  0.500  1.0
  Al  Al10  1  0.000  0.500  0.500  1.0
  Al  Al11  1  0.500  0.500  0.000  1.0
  Al  Al12  1  0.500  0.000  0.000  1.0
  Al  Al13  1  0.000  0.500  0.000  1.0
  Al  Al14  1  0.328  0.364  0.250  1.0
  Al  Al15  1  0.636  0.963  0.250  1.0
  Al  Al16  1  0.037  0.672  0.250  1.0
  Al  Al17  1  0.636  0.672  0.250  1.0
  Al  Al18  1  0.037  0.364  0.250  1.0
  Al  Al19  1  0.328  0.963  0.250  1.0
  Al  Al20  1  0.672  0.636  0.750  1.0
  Al  Al21  1  0.364  0.037  0.750  1.0
  Al  Al22  1  0.963  0.328  0.750  1.0
  Al  Al23  1  0.364  0.328  0.750  1.0
  Al  Al24  1  0.963  0.636  0.750  1.0
  Al  Al25  1  0.672  0.037  0.750  1.0
  Al  Al26  1  0.163  0.837  0.527  1.0
  Al  Al27  1  0.163  0.327  0.527  1.0
  Al  Al28  1  0.673  0.837  0.527  1.0
  Al  Al29  1  0.837  0.163  0.473  1.0
  Al  Al30  1  0.837  0.673  0.473  1.0
  Al  Al31  1  0.327  0.163  0.473  1.0
  Al  Al32  1  0.837  0.163  0.027  1.0
  Al  Al33  1  0.837  0.673  0.027  1.0
  Al  Al34  1  0.327  0.163  0.027  1.0
  Al  Al35  1  0.163  0.837  0.973  1.0
  Al  Al36  1  0.163  0.327  0.973  1.0
  Al  Al37  1  0.673  0.837  0.973  1.0
[/CIF]
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