The material structure described by Pr3Ce is Copper-derived 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 Ce(1) atoms to form PrCe4Pr8 cuboctahedra that share corners with twelve equivalent Pr(1)Ce4Pr8 cuboctahedra, edges with eight equivalent Pr(1)Ce4Pr8 cuboctahedra, edges with eight equivalent Pr(2)Ce4Pr8 cuboctahedra, edges with eight equivalent Ce(1)Pr12 cuboctahedra, faces with four equivalent Pr(2)Ce4Pr8 cuboctahedra, faces with four equivalent Ce(1)Pr12 cuboctahedra, and faces with ten equivalent Pr(1)Ce4Pr8 cuboctahedra. In the second Pr site, Pr(2) is bonded to eight equivalent Pr(1) and four equivalent Ce(1) atoms to form PrCe4Pr8 cuboctahedra that share corners with four equivalent Pr(2)Ce4Pr8 cuboctahedra, corners with eight equivalent Ce(1)Pr12 cuboctahedra, edges with eight equivalent Pr(2)Ce4Pr8 cuboctahedra, edges with sixteen equivalent Pr(1)Ce4Pr8 cuboctahedra, faces with four equivalent Pr(2)Ce4Pr8 cuboctahedra, faces with six equivalent Ce(1)Pr12 cuboctahedra, and faces with eight equivalent Pr(1)Ce4Pr8 cuboctahedra. Ce(1) is bonded to four equivalent Pr(2) and eight equivalent Pr(1) atoms to form CePr12 cuboctahedra that share corners with four equivalent Ce(1)Pr12 cuboctahedra, corners with eight equivalent Pr(2)Ce4Pr8 cuboctahedra, edges with eight equivalent Ce(1)Pr12 cuboctahedra, edges with sixteen equivalent Pr(1)Ce4Pr8 cuboctahedra, faces with four equivalent Ce(1)Pr12 cuboctahedra, faces with six equivalent Pr(2)Ce4Pr8 cuboctahedra, and faces with eight equivalent Pr(1)Ce4Pr8 cuboctahedra. is represented by the CIF card [CIF]
data_CePr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.530
_cell_length_b   6.530
_cell_length_c   6.530
_cell_angle_alpha   132.037
_cell_angle_beta   132.037
_cell_angle_gamma   70.170
_symmetry_Int_Tables_number   1
_cell_volume   150.584
_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
  Ce  Ce0  1  0.000  0.000  0.000  1.0
  Pr  Pr1  1  0.750  0.250  0.500  1.0
  Pr  Pr2  1  0.250  0.750  0.500  1.0
  Pr  Pr3  1  0.500  0.500  0.000  1.0
[/CIF]
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The material structure described by Pr3Ce is Copper-derived 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 Ce(1) atoms to form PrCe4Pr8 cuboctahedra that share corners with twelve equivalent Pr(1)Ce4Pr8 cuboctahedra, edges with eight equivalent Pr(1)Ce4Pr8 cuboctahedra, edges with eight equivalent Pr(2)Ce4Pr8 cuboctahedra, edges with eight equivalent Ce(1)Pr12 cuboctahedra, faces with four equivalent Pr(2)Ce4Pr8 cuboctahedra, faces with four equivalent Ce(1)Pr12 cuboctahedra, and faces with ten equivalent Pr(1)Ce4Pr8 cuboctahedra. In the second Pr site, Pr(2) is bonded to eight equivalent Pr(1) and four equivalent Ce(1) atoms to form PrCe4Pr8 cuboctahedra that share corners with four equivalent Pr(2)Ce4Pr8 cuboctahedra, corners with eight equivalent Ce(1)Pr12 cuboctahedra, edges with eight equivalent Pr(2)Ce4Pr8 cuboctahedra, edges with sixteen equivalent Pr(1)Ce4Pr8 cuboctahedra, faces with four equivalent Pr(2)Ce4Pr8 cuboctahedra, faces with six equivalent Ce(1)Pr12 cuboctahedra, and faces with eight equivalent Pr(1)Ce4Pr8 cuboctahedra. Ce(1) is bonded to four equivalent Pr(2) and eight equivalent Pr(1) atoms to form CePr12 cuboctahedra that share corners with four equivalent Ce(1)Pr12 cuboctahedra, corners with eight equivalent Pr(2)Ce4Pr8 cuboctahedra, edges with eight equivalent Ce(1)Pr12 cuboctahedra, edges with sixteen equivalent Pr(1)Ce4Pr8 cuboctahedra, faces with four equivalent Ce(1)Pr12 cuboctahedra, faces with six equivalent Pr(2)Ce4Pr8 cuboctahedra, and faces with eight equivalent Pr(1)Ce4Pr8 cuboctahedra. is represented by the CIF card [CIF]
data_CePr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.530
_cell_length_b   6.530
_cell_length_c   6.530
_cell_angle_alpha   132.037
_cell_angle_beta   132.037
_cell_angle_gamma   70.170
_symmetry_Int_Tables_number   1
_cell_volume   150.584
_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
  Ce  Ce0  1  0.000  0.000  0.000  1.0
  Pr  Pr1  1  0.750  0.250  0.500  1.0
  Pr  Pr2  1  0.250  0.750  0.500  1.0
  Pr  Pr3  1  0.500  0.500  0.000  1.0
[/CIF]
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