The compound described by Pr3Y is alpha La-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 Y(1) atoms to form PrPr8Y4 cuboctahedra that share corners with twelve equivalent Pr(1)Pr8Y4 cuboctahedra, edges with eight equivalent Pr(1)Pr8Y4 cuboctahedra, edges with eight equivalent Pr(2)Pr8Y4 cuboctahedra, edges with eight equivalent Y(1)Pr12 cuboctahedra, faces with four equivalent Pr(2)Pr8Y4 cuboctahedra, faces with four equivalent Y(1)Pr12 cuboctahedra, and faces with ten equivalent Pr(1)Pr8Y4 cuboctahedra. In the second Pr site, Pr(2) is bonded to eight equivalent Pr(1) and four equivalent Y(1) atoms to form PrPr8Y4 cuboctahedra that share corners with four equivalent Pr(2)Pr8Y4 cuboctahedra, corners with eight equivalent Y(1)Pr12 cuboctahedra, edges with eight equivalent Pr(2)Pr8Y4 cuboctahedra, edges with sixteen equivalent Pr(1)Pr8Y4 cuboctahedra, faces with four equivalent Pr(2)Pr8Y4 cuboctahedra, faces with six equivalent Y(1)Pr12 cuboctahedra, and faces with eight equivalent Pr(1)Pr8Y4 cuboctahedra. Y(1) is bonded to four equivalent Pr(2) and eight equivalent Pr(1) atoms to form YPr12 cuboctahedra that share corners with four equivalent Y(1)Pr12 cuboctahedra, corners with eight equivalent Pr(2)Pr8Y4 cuboctahedra, edges with eight equivalent Y(1)Pr12 cuboctahedra, edges with sixteen equivalent Pr(1)Pr8Y4 cuboctahedra, faces with four equivalent Y(1)Pr12 cuboctahedra, faces with six equivalent Pr(2)Pr8Y4 cuboctahedra, and faces with eight equivalent Pr(1)Pr8Y4 cuboctahedra. is represented by the CIF card [CIF]
data_Pr3Y
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.364
_cell_length_b   6.364
_cell_length_c   6.364
_cell_angle_alpha   131.361
_cell_angle_beta   131.361
_cell_angle_gamma   71.240
_symmetry_Int_Tables_number   1
_cell_volume   142.147
_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
  Y  Y3  1  0.000  0.000  0.000  1.0
[/CIF]
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The compound described by Pr3Y is alpha La-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 Y(1) atoms to form PrPr8Y4 cuboctahedra that share corners with twelve equivalent Pr(1)Pr8Y4 cuboctahedra, edges with eight equivalent Pr(1)Pr8Y4 cuboctahedra, edges with eight equivalent Pr(2)Pr8Y4 cuboctahedra, edges with eight equivalent Y(1)Pr12 cuboctahedra, faces with four equivalent Pr(2)Pr8Y4 cuboctahedra, faces with four equivalent Y(1)Pr12 cuboctahedra, and faces with ten equivalent Pr(1)Pr8Y4 cuboctahedra. In the second Pr site, Pr(2) is bonded to eight equivalent Pr(1) and four equivalent Y(1) atoms to form PrPr8Y4 cuboctahedra that share corners with four equivalent Pr(2)Pr8Y4 cuboctahedra, corners with eight equivalent Y(1)Pr12 cuboctahedra, edges with eight equivalent Pr(2)Pr8Y4 cuboctahedra, edges with sixteen equivalent Pr(1)Pr8Y4 cuboctahedra, faces with four equivalent Pr(2)Pr8Y4 cuboctahedra, faces with six equivalent Y(1)Pr12 cuboctahedra, and faces with eight equivalent Pr(1)Pr8Y4 cuboctahedra. Y(1) is bonded to four equivalent Pr(2) and eight equivalent Pr(1) atoms to form YPr12 cuboctahedra that share corners with four equivalent Y(1)Pr12 cuboctahedra, corners with eight equivalent Pr(2)Pr8Y4 cuboctahedra, edges with eight equivalent Y(1)Pr12 cuboctahedra, edges with sixteen equivalent Pr(1)Pr8Y4 cuboctahedra, faces with four equivalent Y(1)Pr12 cuboctahedra, faces with six equivalent Pr(2)Pr8Y4 cuboctahedra, and faces with eight equivalent Pr(1)Pr8Y4 cuboctahedra. is represented by the CIF card [CIF]
data_Pr3Y
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.364
_cell_length_b   6.364
_cell_length_c   6.364
_cell_angle_alpha   131.361
_cell_angle_beta   131.361
_cell_angle_gamma   71.240
_symmetry_Int_Tables_number   1
_cell_volume   142.147
_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
  Y  Y3  1  0.000  0.000  0.000  1.0
[/CIF]
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