The material structure described by DyTb3Al8 is Hexagonal Laves-derived structured and crystallizes in the trigonal R3m space group. Dy(1) is bonded in a 16-coordinate geometry to one Tb(2), three equivalent Tb(3), three equivalent Al(1), three equivalent Al(4), and six equivalent Al(3) atoms. There are three inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 12-coordinate geometry to one Tb(3), three equivalent Tb(2), three equivalent Al(2), three equivalent Al(3), and six equivalent Al(4) atoms. In the second Tb site, Tb(2) is bonded in a 16-coordinate geometry to one Dy(1), three equivalent Tb(1), three equivalent Al(2), three equivalent Al(4), and six equivalent Al(3) atoms. In the third Tb site, Tb(3) is bonded in a 16-coordinate geometry to three equivalent Dy(1), one Tb(1), three equivalent Al(1), three equivalent Al(3), and six equivalent Al(4) atoms. There are four inequivalent Al sites. In the first Al site, Al(1) is bonded to three equivalent Dy(1), three equivalent Tb(3), three equivalent Al(3), and three equivalent Al(4) atoms to form AlTb3Dy3Al6 cuboctahedra that share corners with six equivalent Al(3)Tb4Dy2Al6 cuboctahedra, corners with six equivalent Al(4)Tb5DyAl6 cuboctahedra, corners with six equivalent Al(2)Tb6Al6 cuboctahedra, edges with six equivalent Al(1)Tb3Dy3Al6 cuboctahedra, faces with nine equivalent Al(3)Tb4Dy2Al6 cuboctahedra, and faces with nine equivalent Al(4)Tb5DyAl6 cuboctahedra. In the second Al site, Al(2) is bonded to three equivalent Tb(1), three equivalent Tb(2), three equivalent Al(3), and three equivalent Al(4) atoms to form AlTb6Al6 cuboctahedra that share corners with six equivalent Al(1)Tb3Dy3Al6 cuboctahedra, corners with six equivalent Al(3)Tb4Dy2Al6 cuboctahedra, corners with six equivalent Al(4)Tb5DyAl6 cuboctahedra, edges with six equivalent Al(2)Tb6Al6 cuboctahedra, faces with nine equivalent Al(3)Tb4Dy2Al6 cuboctahedra, and faces with nine equivalent Al(4)Tb5DyAl6 cuboctahedra. In the third Al site, Al(3) is bonded to two equivalent Dy(1), one Tb(1), one Tb(3), two equivalent Tb(2), one Al(1), one Al(2), and four equivalent Al(3) atoms to form AlTb4Dy2Al6 cuboctahedra that share corners with two equivalent Al(1)Tb3Dy3Al6 cuboctahedra, corners with two equivalent Al(2)Tb6Al6 cuboctahedra, corners with four equivalent Al(3)Tb4Dy2Al6 cuboctahedra, corners with ten equivalent Al(4)Tb5DyAl6 cuboctahedra, edges with two equivalent Al(3)Tb4Dy2Al6 cuboctahedra, edges with four equivalent Al(4)Tb5DyAl6 cuboctahedra, faces with three equivalent Al(1)Tb3Dy3Al6 cuboctahedra, faces with three equivalent Al(2)Tb6Al6 cuboctahedra, faces with four equivalent Al(4)Tb5DyAl6 cuboctahedra, and faces with eight equivalent Al(3)Tb4Dy2Al6 cuboctahedra. In the fourth Al site, Al(4) is bonded to one Dy(1), one Tb(2), two equivalent Tb(1), two equivalent Tb(3), one Al(1), one Al(2), and four equivalent Al(4) atoms to form AlTb5DyAl6 cuboctahedra that share corners with two equivalent Al(1)Tb3Dy3Al6 cuboctahedra, corners with two equivalent Al(2)Tb6Al6 cuboctahedra, corners with four equivalent Al(4)Tb5DyAl6 cuboctahedra, corners with ten equivalent Al(3)Tb4Dy2Al6 cuboctahedra, edges with two equivalent Al(4)Tb5DyAl6 cuboctahedra, edges with four equivalent Al(3)Tb4Dy2Al6 cuboctahedra, faces with three equivalent Al(1)Tb3Dy3Al6 cuboctahedra, faces with three equivalent Al(2)Tb6Al6 cuboctahedra, faces with four equivalent Al(3)Tb4Dy2Al6 cuboctahedra, and faces with eight equivalent Al(4)Tb5DyAl6 cuboctahedra. is represented by the CIF card [CIF]
data_Tb3DyAl8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.612
_cell_length_b   9.612
_cell_length_c   9.612
_cell_angle_alpha   33.545
_cell_angle_beta   33.545
_cell_angle_gamma   33.545
_symmetry_Int_Tables_number   1
_cell_volume   241.509
_cell_formula_units_Z   1
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  0.188  0.188  0.188  1.0
  Tb  Tb1  1  0.812  0.812  0.812  1.0
  Tb  Tb2  1  0.312  0.312  0.312  1.0
  Dy  Dy3  1  0.688  0.688  0.688  1.0
  Al  Al4  1  0.000  0.000  0.000  1.0
  Al  Al5  1  0.500  0.500  0.500  1.0
  Al  Al6  1  0.750  0.250  0.250  1.0
  Al  Al7  1  0.250  0.750  0.750  1.0
  Al  Al8  1  0.250  0.750  0.250  1.0
  Al  Al9  1  0.750  0.250  0.750  1.0
  Al  Al10  1  0.250  0.250  0.750  1.0
  Al  Al11  1  0.750  0.750  0.250  1.0
[/CIF]
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The material structure described by DyTb3Al8 is Hexagonal Laves-derived structured and crystallizes in the trigonal R3m space group. Dy(1) is bonded in a 16-coordinate geometry to one Tb(2), three equivalent Tb(3), three equivalent Al(1), three equivalent Al(4), and six equivalent Al(3) atoms. There are three inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 12-coordinate geometry to one Tb(3), three equivalent Tb(2), three equivalent Al(2), three equivalent Al(3), and six equivalent Al(4) atoms. In the second Tb site, Tb(2) is bonded in a 16-coordinate geometry to one Dy(1), three equivalent Tb(1), three equivalent Al(2), three equivalent Al(4), and six equivalent Al(3) atoms. In the third Tb site, Tb(3) is bonded in a 16-coordinate geometry to three equivalent Dy(1), one Tb(1), three equivalent Al(1), three equivalent Al(3), and six equivalent Al(4) atoms. There are four inequivalent Al sites. In the first Al site, Al(1) is bonded to three equivalent Dy(1), three equivalent Tb(3), three equivalent Al(3), and three equivalent Al(4) atoms to form AlTb3Dy3Al6 cuboctahedra that share corners with six equivalent Al(3)Tb4Dy2Al6 cuboctahedra, corners with six equivalent Al(4)Tb5DyAl6 cuboctahedra, corners with six equivalent Al(2)Tb6Al6 cuboctahedra, edges with six equivalent Al(1)Tb3Dy3Al6 cuboctahedra, faces with nine equivalent Al(3)Tb4Dy2Al6 cuboctahedra, and faces with nine equivalent Al(4)Tb5DyAl6 cuboctahedra. In the second Al site, Al(2) is bonded to three equivalent Tb(1), three equivalent Tb(2), three equivalent Al(3), and three equivalent Al(4) atoms to form AlTb6Al6 cuboctahedra that share corners with six equivalent Al(1)Tb3Dy3Al6 cuboctahedra, corners with six equivalent Al(3)Tb4Dy2Al6 cuboctahedra, corners with six equivalent Al(4)Tb5DyAl6 cuboctahedra, edges with six equivalent Al(2)Tb6Al6 cuboctahedra, faces with nine equivalent Al(3)Tb4Dy2Al6 cuboctahedra, and faces with nine equivalent Al(4)Tb5DyAl6 cuboctahedra. In the third Al site, Al(3) is bonded to two equivalent Dy(1), one Tb(1), one Tb(3), two equivalent Tb(2), one Al(1), one Al(2), and four equivalent Al(3) atoms to form AlTb4Dy2Al6 cuboctahedra that share corners with two equivalent Al(1)Tb3Dy3Al6 cuboctahedra, corners with two equivalent Al(2)Tb6Al6 cuboctahedra, corners with four equivalent Al(3)Tb4Dy2Al6 cuboctahedra, corners with ten equivalent Al(4)Tb5DyAl6 cuboctahedra, edges with two equivalent Al(3)Tb4Dy2Al6 cuboctahedra, edges with four equivalent Al(4)Tb5DyAl6 cuboctahedra, faces with three equivalent Al(1)Tb3Dy3Al6 cuboctahedra, faces with three equivalent Al(2)Tb6Al6 cuboctahedra, faces with four equivalent Al(4)Tb5DyAl6 cuboctahedra, and faces with eight equivalent Al(3)Tb4Dy2Al6 cuboctahedra. In the fourth Al site, Al(4) is bonded to one Dy(1), one Tb(2), two equivalent Tb(1), two equivalent Tb(3), one Al(1), one Al(2), and four equivalent Al(4) atoms to form AlTb5DyAl6 cuboctahedra that share corners with two equivalent Al(1)Tb3Dy3Al6 cuboctahedra, corners with two equivalent Al(2)Tb6Al6 cuboctahedra, corners with four equivalent Al(4)Tb5DyAl6 cuboctahedra, corners with ten equivalent Al(3)Tb4Dy2Al6 cuboctahedra, edges with two equivalent Al(4)Tb5DyAl6 cuboctahedra, edges with four equivalent Al(3)Tb4Dy2Al6 cuboctahedra, faces with three equivalent Al(1)Tb3Dy3Al6 cuboctahedra, faces with three equivalent Al(2)Tb6Al6 cuboctahedra, faces with four equivalent Al(3)Tb4Dy2Al6 cuboctahedra, and faces with eight equivalent Al(4)Tb5DyAl6 cuboctahedra. is represented by the CIF card [CIF]
data_Tb3DyAl8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.612
_cell_length_b   9.612
_cell_length_c   9.612
_cell_angle_alpha   33.545
_cell_angle_beta   33.545
_cell_angle_gamma   33.545
_symmetry_Int_Tables_number   1
_cell_volume   241.509
_cell_formula_units_Z   1
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  0.188  0.188  0.188  1.0
  Tb  Tb1  1  0.812  0.812  0.812  1.0
  Tb  Tb2  1  0.312  0.312  0.312  1.0
  Dy  Dy3  1  0.688  0.688  0.688  1.0
  Al  Al4  1  0.000  0.000  0.000  1.0
  Al  Al5  1  0.500  0.500  0.500  1.0
  Al  Al6  1  0.750  0.250  0.250  1.0
  Al  Al7  1  0.250  0.750  0.750  1.0
  Al  Al8  1  0.250  0.750  0.250  1.0
  Al  Al9  1  0.750  0.250  0.750  1.0
  Al  Al10  1  0.250  0.250  0.750  1.0
  Al  Al11  1  0.750  0.750  0.250  1.0
[/CIF]
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