The crystal structure described by LuDy3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. Lu(1) is bonded to four equivalent Dy(2) and eight equivalent Dy(1) atoms to form LuDy12 cuboctahedra that share corners with four equivalent Lu(1)Dy12 cuboctahedra, corners with eight equivalent Dy(2)Dy8Lu4 cuboctahedra, edges with eight equivalent Lu(1)Dy12 cuboctahedra, edges with sixteen equivalent Dy(1)Dy8Lu4 cuboctahedra, faces with four equivalent Lu(1)Dy12 cuboctahedra, faces with six equivalent Dy(2)Dy8Lu4 cuboctahedra, and faces with eight equivalent Dy(1)Dy8Lu4 cuboctahedra. There are two inequivalent Dy sites. In the first Dy site, Dy(1) is bonded to four equivalent Lu(1), four equivalent Dy(1), and four equivalent Dy(2) atoms to form DyDy8Lu4 cuboctahedra that share corners with twelve equivalent Dy(1)Dy8Lu4 cuboctahedra, edges with eight equivalent Lu(1)Dy12 cuboctahedra, edges with eight equivalent Dy(1)Dy8Lu4 cuboctahedra, edges with eight equivalent Dy(2)Dy8Lu4 cuboctahedra, faces with four equivalent Lu(1)Dy12 cuboctahedra, faces with four equivalent Dy(2)Dy8Lu4 cuboctahedra, and faces with ten equivalent Dy(1)Dy8Lu4 cuboctahedra. In the second Dy site, Dy(2) is bonded to four equivalent Lu(1) and eight equivalent Dy(1) atoms to form DyDy8Lu4 cuboctahedra that share corners with four equivalent Dy(2)Dy8Lu4 cuboctahedra, corners with eight equivalent Lu(1)Dy12 cuboctahedra, edges with eight equivalent Dy(2)Dy8Lu4 cuboctahedra, edges with sixteen equivalent Dy(1)Dy8Lu4 cuboctahedra, faces with four equivalent Dy(2)Dy8Lu4 cuboctahedra, faces with six equivalent Lu(1)Dy12 cuboctahedra, and faces with eight equivalent Dy(1)Dy8Lu4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Dy3Lu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.108
_cell_length_b   6.108
_cell_length_c   6.108
_cell_angle_alpha   131.849
_cell_angle_beta   131.849
_cell_angle_gamma   70.468
_symmetry_Int_Tables_number   1
_cell_volume   123.882
_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
  Dy  Dy0  1  0.750  0.250  0.500  1.0
  Dy  Dy1  1  0.250  0.750  0.500  1.0
  Dy  Dy2  1  0.500  0.500  0.000  1.0
  Lu  Lu3  1  0.000  0.000  0.000  1.0
[/CIF]
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The crystal structure described by LuDy3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. Lu(1) is bonded to four equivalent Dy(2) and eight equivalent Dy(1) atoms to form LuDy12 cuboctahedra that share corners with four equivalent Lu(1)Dy12 cuboctahedra, corners with eight equivalent Dy(2)Dy8Lu4 cuboctahedra, edges with eight equivalent Lu(1)Dy12 cuboctahedra, edges with sixteen equivalent Dy(1)Dy8Lu4 cuboctahedra, faces with four equivalent Lu(1)Dy12 cuboctahedra, faces with six equivalent Dy(2)Dy8Lu4 cuboctahedra, and faces with eight equivalent Dy(1)Dy8Lu4 cuboctahedra. There are two inequivalent Dy sites. In the first Dy site, Dy(1) is bonded to four equivalent Lu(1), four equivalent Dy(1), and four equivalent Dy(2) atoms to form DyDy8Lu4 cuboctahedra that share corners with twelve equivalent Dy(1)Dy8Lu4 cuboctahedra, edges with eight equivalent Lu(1)Dy12 cuboctahedra, edges with eight equivalent Dy(1)Dy8Lu4 cuboctahedra, edges with eight equivalent Dy(2)Dy8Lu4 cuboctahedra, faces with four equivalent Lu(1)Dy12 cuboctahedra, faces with four equivalent Dy(2)Dy8Lu4 cuboctahedra, and faces with ten equivalent Dy(1)Dy8Lu4 cuboctahedra. In the second Dy site, Dy(2) is bonded to four equivalent Lu(1) and eight equivalent Dy(1) atoms to form DyDy8Lu4 cuboctahedra that share corners with four equivalent Dy(2)Dy8Lu4 cuboctahedra, corners with eight equivalent Lu(1)Dy12 cuboctahedra, edges with eight equivalent Dy(2)Dy8Lu4 cuboctahedra, edges with sixteen equivalent Dy(1)Dy8Lu4 cuboctahedra, faces with four equivalent Dy(2)Dy8Lu4 cuboctahedra, faces with six equivalent Lu(1)Dy12 cuboctahedra, and faces with eight equivalent Dy(1)Dy8Lu4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Dy3Lu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.108
_cell_length_b   6.108
_cell_length_c   6.108
_cell_angle_alpha   131.849
_cell_angle_beta   131.849
_cell_angle_gamma   70.468
_symmetry_Int_Tables_number   1
_cell_volume   123.882
_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
  Dy  Dy0  1  0.750  0.250  0.500  1.0
  Dy  Dy1  1  0.250  0.750  0.500  1.0
  Dy  Dy2  1  0.500  0.500  0.000  1.0
  Lu  Lu3  1  0.000  0.000  0.000  1.0
[/CIF]
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