The crystal structure described by Pr3Hf is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded to four equivalent Pr(1), four equivalent Pr(2), and four equivalent Hf(1) atoms to form PrPr8Hf4 cuboctahedra that share corners with twelve equivalent Pr(1)Pr8Hf4 cuboctahedra, edges with eight equivalent Pr(1)Pr8Hf4 cuboctahedra, edges with eight equivalent Pr(2)Pr8Hf4 cuboctahedra, edges with eight equivalent Hf(1)Pr12 cuboctahedra, faces with four equivalent Pr(2)Pr8Hf4 cuboctahedra, faces with four equivalent Hf(1)Pr12 cuboctahedra, and faces with ten equivalent Pr(1)Pr8Hf4 cuboctahedra. In the second Pr site, Pr(2) is bonded to eight equivalent Pr(1) and four equivalent Hf(1) atoms to form PrPr8Hf4 cuboctahedra that share corners with four equivalent Pr(2)Pr8Hf4 cuboctahedra, corners with eight equivalent Hf(1)Pr12 cuboctahedra, edges with eight equivalent Pr(2)Pr8Hf4 cuboctahedra, edges with sixteen equivalent Pr(1)Pr8Hf4 cuboctahedra, faces with four equivalent Pr(2)Pr8Hf4 cuboctahedra, faces with six equivalent Hf(1)Pr12 cuboctahedra, and faces with eight equivalent Pr(1)Pr8Hf4 cuboctahedra. Hf(1) is bonded to four equivalent Pr(2) and eight equivalent Pr(1) atoms to form HfPr12 cuboctahedra that share corners with four equivalent Hf(1)Pr12 cuboctahedra, corners with eight equivalent Pr(2)Pr8Hf4 cuboctahedra, edges with eight equivalent Hf(1)Pr12 cuboctahedra, edges with sixteen equivalent Pr(1)Pr8Hf4 cuboctahedra, faces with four equivalent Hf(1)Pr12 cuboctahedra, faces with six equivalent Pr(2)Pr8Hf4 cuboctahedra, and faces with eight equivalent Pr(1)Pr8Hf4 cuboctahedra. is represented by the CIF card [CIF]
data_Pr3Hf
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.126
_cell_length_b   6.126
_cell_length_c   6.126
_cell_angle_alpha   131.305
_cell_angle_beta   131.305
_cell_angle_gamma   71.329
_symmetry_Int_Tables_number   1
_cell_volume   126.958
_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
  Pr  Pr0  1  0.750  0.250  0.500  1.0
  Pr  Pr1  1  0.250  0.750  0.500  1.0
  Pr  Pr2  1  0.500  0.500  0.000  1.0
  Hf  Hf3  1  0.000  0.000  0.000  1.0
[/CIF]
.
The crystal structure described by Pr3Hf is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded to four equivalent Pr(1), four equivalent Pr(2), and four equivalent Hf(1) atoms to form PrPr8Hf4 cuboctahedra that share corners with twelve equivalent Pr(1)Pr8Hf4 cuboctahedra, edges with eight equivalent Pr(1)Pr8Hf4 cuboctahedra, edges with eight equivalent Pr(2)Pr8Hf4 cuboctahedra, edges with eight equivalent Hf(1)Pr12 cuboctahedra, faces with four equivalent Pr(2)Pr8Hf4 cuboctahedra, faces with four equivalent Hf(1)Pr12 cuboctahedra, and faces with ten equivalent Pr(1)Pr8Hf4 cuboctahedra. In the second Pr site, Pr(2) is bonded to eight equivalent Pr(1) and four equivalent Hf(1) atoms to form PrPr8Hf4 cuboctahedra that share corners with four equivalent Pr(2)Pr8Hf4 cuboctahedra, corners with eight equivalent Hf(1)Pr12 cuboctahedra, edges with eight equivalent Pr(2)Pr8Hf4 cuboctahedra, edges with sixteen equivalent Pr(1)Pr8Hf4 cuboctahedra, faces with four equivalent Pr(2)Pr8Hf4 cuboctahedra, faces with six equivalent Hf(1)Pr12 cuboctahedra, and faces with eight equivalent Pr(1)Pr8Hf4 cuboctahedra. Hf(1) is bonded to four equivalent Pr(2) and eight equivalent Pr(1) atoms to form HfPr12 cuboctahedra that share corners with four equivalent Hf(1)Pr12 cuboctahedra, corners with eight equivalent Pr(2)Pr8Hf4 cuboctahedra, edges with eight equivalent Hf(1)Pr12 cuboctahedra, edges with sixteen equivalent Pr(1)Pr8Hf4 cuboctahedra, faces with four equivalent Hf(1)Pr12 cuboctahedra, faces with six equivalent Pr(2)Pr8Hf4 cuboctahedra, and faces with eight equivalent Pr(1)Pr8Hf4 cuboctahedra. is represented by the CIF card [CIF]
data_Pr3Hf
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.126
_cell_length_b   6.126
_cell_length_c   6.126
_cell_angle_alpha   131.305
_cell_angle_beta   131.305
_cell_angle_gamma   71.329
_symmetry_Int_Tables_number   1
_cell_volume   126.958
_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
  Pr  Pr0  1  0.750  0.250  0.500  1.0
  Pr  Pr1  1  0.250  0.750  0.500  1.0
  Pr  Pr2  1  0.500  0.500  0.000  1.0
  Hf  Hf3  1  0.000  0.000  0.000  1.0
[/CIF]
.