The compound described by DyTb3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. Dy(1) is bonded to four equivalent Tb(2) and eight equivalent Tb(1) atoms to form DyTb12 cuboctahedra that share corners with four equivalent Dy(1)Tb12 cuboctahedra, corners with eight equivalent Tb(2)Tb8Dy4 cuboctahedra, edges with eight equivalent Dy(1)Tb12 cuboctahedra, edges with sixteen equivalent Tb(1)Tb8Dy4 cuboctahedra, faces with four equivalent Dy(1)Tb12 cuboctahedra, faces with six equivalent Tb(2)Tb8Dy4 cuboctahedra, and faces with eight equivalent Tb(1)Tb8Dy4 cuboctahedra. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded to four equivalent Dy(1), four equivalent Tb(1), and four equivalent Tb(2) atoms to form TbTb8Dy4 cuboctahedra that share corners with twelve equivalent Tb(1)Tb8Dy4 cuboctahedra, edges with eight equivalent Dy(1)Tb12 cuboctahedra, edges with eight equivalent Tb(1)Tb8Dy4 cuboctahedra, edges with eight equivalent Tb(2)Tb8Dy4 cuboctahedra, faces with four equivalent Dy(1)Tb12 cuboctahedra, faces with four equivalent Tb(2)Tb8Dy4 cuboctahedra, and faces with ten equivalent Tb(1)Tb8Dy4 cuboctahedra. In the second Tb site, Tb(2) is bonded to four equivalent Dy(1) and eight equivalent Tb(1) atoms to form TbTb8Dy4 cuboctahedra that share corners with four equivalent Tb(2)Tb8Dy4 cuboctahedra, corners with eight equivalent Dy(1)Tb12 cuboctahedra, edges with eight equivalent Tb(2)Tb8Dy4 cuboctahedra, edges with sixteen equivalent Tb(1)Tb8Dy4 cuboctahedra, faces with four equivalent Tb(2)Tb8Dy4 cuboctahedra, faces with six equivalent Dy(1)Tb12 cuboctahedra, and faces with eight equivalent Tb(1)Tb8Dy4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tb3Dy
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.165
_cell_length_b   6.165
_cell_length_c   6.165
_cell_angle_alpha   131.785
_cell_angle_beta   131.785
_cell_angle_gamma   70.569
_symmetry_Int_Tables_number   1
_cell_volume   127.671
_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  0.750  0.250  0.500  1.0
  Tb  Tb1  1  0.250  0.750  0.500  1.0
  Tb  Tb2  1  0.500  0.500  0.000  1.0
  Dy  Dy3  1  0.000  0.000  0.000  1.0
[/CIF]
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The compound described by DyTb3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. Dy(1) is bonded to four equivalent Tb(2) and eight equivalent Tb(1) atoms to form DyTb12 cuboctahedra that share corners with four equivalent Dy(1)Tb12 cuboctahedra, corners with eight equivalent Tb(2)Tb8Dy4 cuboctahedra, edges with eight equivalent Dy(1)Tb12 cuboctahedra, edges with sixteen equivalent Tb(1)Tb8Dy4 cuboctahedra, faces with four equivalent Dy(1)Tb12 cuboctahedra, faces with six equivalent Tb(2)Tb8Dy4 cuboctahedra, and faces with eight equivalent Tb(1)Tb8Dy4 cuboctahedra. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded to four equivalent Dy(1), four equivalent Tb(1), and four equivalent Tb(2) atoms to form TbTb8Dy4 cuboctahedra that share corners with twelve equivalent Tb(1)Tb8Dy4 cuboctahedra, edges with eight equivalent Dy(1)Tb12 cuboctahedra, edges with eight equivalent Tb(1)Tb8Dy4 cuboctahedra, edges with eight equivalent Tb(2)Tb8Dy4 cuboctahedra, faces with four equivalent Dy(1)Tb12 cuboctahedra, faces with four equivalent Tb(2)Tb8Dy4 cuboctahedra, and faces with ten equivalent Tb(1)Tb8Dy4 cuboctahedra. In the second Tb site, Tb(2) is bonded to four equivalent Dy(1) and eight equivalent Tb(1) atoms to form TbTb8Dy4 cuboctahedra that share corners with four equivalent Tb(2)Tb8Dy4 cuboctahedra, corners with eight equivalent Dy(1)Tb12 cuboctahedra, edges with eight equivalent Tb(2)Tb8Dy4 cuboctahedra, edges with sixteen equivalent Tb(1)Tb8Dy4 cuboctahedra, faces with four equivalent Tb(2)Tb8Dy4 cuboctahedra, faces with six equivalent Dy(1)Tb12 cuboctahedra, and faces with eight equivalent Tb(1)Tb8Dy4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tb3Dy
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.165
_cell_length_b   6.165
_cell_length_c   6.165
_cell_angle_alpha   131.785
_cell_angle_beta   131.785
_cell_angle_gamma   70.569
_symmetry_Int_Tables_number   1
_cell_volume   127.671
_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  0.750  0.250  0.500  1.0
  Tb  Tb1  1  0.250  0.750  0.500  1.0
  Tb  Tb2  1  0.500  0.500  0.000  1.0
  Dy  Dy3  1  0.000  0.000  0.000  1.0
[/CIF]
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