The crystal structure described by Al3Dy crystallizes in the trigonal R-3m space group. There are two inequivalent Dy sites. In the first Dy site, Dy(1) is bonded to six equivalent Al(1) and six equivalent Al(2) atoms to form DyAl12 cuboctahedra that share corners with six equivalent Dy(1)Al12 cuboctahedra, edges with six equivalent Al(1)Dy4Al8 cuboctahedra, faces with six equivalent Al(1)Dy4Al8 cuboctahedra, and faces with eight equivalent Dy(2)Al12 cuboctahedra. In the second Dy site, Dy(2) is bonded to three equivalent Al(1) and nine equivalent Al(2) atoms to form distorted DyAl12 cuboctahedra that share corners with six equivalent Al(1)Dy4Al8 cuboctahedra, corners with nine equivalent Dy(2)Al12 cuboctahedra, edges with six equivalent Al(1)Dy4Al8 cuboctahedra, faces with three equivalent Dy(2)Al12 cuboctahedra, faces with three equivalent Al(1)Dy4Al8 cuboctahedra, and faces with four equivalent Dy(1)Al12 cuboctahedra. There are two inequivalent Al sites. In the first Al site, Al(2) is bonded in a 10-coordinate geometry to one Dy(1), three equivalent Dy(2), two equivalent Al(1), and four equivalent Al(2) atoms. In the second Al site, Al(1) is bonded to two equivalent Dy(1), two equivalent Dy(2), four equivalent Al(1), and four equivalent Al(2) atoms to form distorted AlDy4Al8 cuboctahedra that share corners with four equivalent Dy(2)Al12 cuboctahedra, corners with six equivalent Al(1)Dy4Al8 cuboctahedra, edges with two equivalent Dy(1)Al12 cuboctahedra, edges with four equivalent Dy(2)Al12 cuboctahedra, edges with four equivalent Al(1)Dy4Al8 cuboctahedra, faces with two equivalent Dy(1)Al12 cuboctahedra, faces with two equivalent Dy(2)Al12 cuboctahedra, and faces with four equivalent Al(1)Dy4Al8 cuboctahedra. is represented by the CIF file [CIF]
data_DyAl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.845
_cell_length_b   7.845
_cell_length_c   7.845
_cell_angle_alpha   46.303
_cell_angle_beta   46.303
_cell_angle_gamma   46.303
_symmetry_Int_Tables_number   1
_cell_volume   230.395
_cell_formula_units_Z   3
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
  Dy  Dy0  1  0.000  0.000  0.000  1.0
  Dy  Dy1  1  0.782  0.782  0.782  1.0
  Dy  Dy2  1  0.218  0.218  0.218  1.0
  Al  Al3  1  0.500  0.500  0.000  1.0
  Al  Al4  1  0.000  0.500  0.500  1.0
  Al  Al5  1  0.500  0.000  0.500  1.0
  Al  Al6  1  0.702  0.265  0.702  1.0
  Al  Al7  1  0.702  0.702  0.265  1.0
  Al  Al8  1  0.265  0.702  0.702  1.0
  Al  Al9  1  0.298  0.735  0.298  1.0
  Al  Al10  1  0.298  0.298  0.735  1.0
  Al  Al11  1  0.735  0.298  0.298  1.0
[/CIF]
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The crystal structure described by Al3Dy crystallizes in the trigonal R-3m space group. There are two inequivalent Dy sites. In the first Dy site, Dy(1) is bonded to six equivalent Al(1) and six equivalent Al(2) atoms to form DyAl12 cuboctahedra that share corners with six equivalent Dy(1)Al12 cuboctahedra, edges with six equivalent Al(1)Dy4Al8 cuboctahedra, faces with six equivalent Al(1)Dy4Al8 cuboctahedra, and faces with eight equivalent Dy(2)Al12 cuboctahedra. In the second Dy site, Dy(2) is bonded to three equivalent Al(1) and nine equivalent Al(2) atoms to form distorted DyAl12 cuboctahedra that share corners with six equivalent Al(1)Dy4Al8 cuboctahedra, corners with nine equivalent Dy(2)Al12 cuboctahedra, edges with six equivalent Al(1)Dy4Al8 cuboctahedra, faces with three equivalent Dy(2)Al12 cuboctahedra, faces with three equivalent Al(1)Dy4Al8 cuboctahedra, and faces with four equivalent Dy(1)Al12 cuboctahedra. There are two inequivalent Al sites. In the first Al site, Al(2) is bonded in a 10-coordinate geometry to one Dy(1), three equivalent Dy(2), two equivalent Al(1), and four equivalent Al(2) atoms. In the second Al site, Al(1) is bonded to two equivalent Dy(1), two equivalent Dy(2), four equivalent Al(1), and four equivalent Al(2) atoms to form distorted AlDy4Al8 cuboctahedra that share corners with four equivalent Dy(2)Al12 cuboctahedra, corners with six equivalent Al(1)Dy4Al8 cuboctahedra, edges with two equivalent Dy(1)Al12 cuboctahedra, edges with four equivalent Dy(2)Al12 cuboctahedra, edges with four equivalent Al(1)Dy4Al8 cuboctahedra, faces with two equivalent Dy(1)Al12 cuboctahedra, faces with two equivalent Dy(2)Al12 cuboctahedra, and faces with four equivalent Al(1)Dy4Al8 cuboctahedra. is represented by the CIF file [CIF]
data_DyAl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.845
_cell_length_b   7.845
_cell_length_c   7.845
_cell_angle_alpha   46.303
_cell_angle_beta   46.303
_cell_angle_gamma   46.303
_symmetry_Int_Tables_number   1
_cell_volume   230.395
_cell_formula_units_Z   3
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
  Dy  Dy0  1  0.000  0.000  0.000  1.0
  Dy  Dy1  1  0.782  0.782  0.782  1.0
  Dy  Dy2  1  0.218  0.218  0.218  1.0
  Al  Al3  1  0.500  0.500  0.000  1.0
  Al  Al4  1  0.000  0.500  0.500  1.0
  Al  Al5  1  0.500  0.000  0.500  1.0
  Al  Al6  1  0.702  0.265  0.702  1.0
  Al  Al7  1  0.702  0.702  0.265  1.0
  Al  Al8  1  0.265  0.702  0.702  1.0
  Al  Al9  1  0.298  0.735  0.298  1.0
  Al  Al10  1  0.298  0.298  0.735  1.0
  Al  Al11  1  0.735  0.298  0.298  1.0
[/CIF]
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