The crystal structure described by Pr3Sc 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 Sc(1) atoms to form PrPr8Sc4 cuboctahedra that share corners with twelve equivalent Pr(1)Pr8Sc4 cuboctahedra, edges with eight equivalent Pr(1)Pr8Sc4 cuboctahedra, edges with eight equivalent Pr(2)Pr8Sc4 cuboctahedra, edges with eight equivalent Sc(1)Pr12 cuboctahedra, faces with four equivalent Pr(2)Pr8Sc4 cuboctahedra, faces with four equivalent Sc(1)Pr12 cuboctahedra, and faces with ten equivalent Pr(1)Pr8Sc4 cuboctahedra. In the second Pr site, Pr(2) is bonded to eight equivalent Pr(1) and four equivalent Sc(1) atoms to form PrPr8Sc4 cuboctahedra that share corners with four equivalent Pr(2)Pr8Sc4 cuboctahedra, corners with eight equivalent Sc(1)Pr12 cuboctahedra, edges with eight equivalent Pr(2)Pr8Sc4 cuboctahedra, edges with sixteen equivalent Pr(1)Pr8Sc4 cuboctahedra, faces with four equivalent Pr(2)Pr8Sc4 cuboctahedra, faces with six equivalent Sc(1)Pr12 cuboctahedra, and faces with eight equivalent Pr(1)Pr8Sc4 cuboctahedra. Sc(1) is bonded to four equivalent Pr(2) and eight equivalent Pr(1) atoms to form ScPr12 cuboctahedra that share corners with four equivalent Sc(1)Pr12 cuboctahedra, corners with eight equivalent Pr(2)Pr8Sc4 cuboctahedra, edges with eight equivalent Sc(1)Pr12 cuboctahedra, edges with sixteen equivalent Pr(1)Pr8Sc4 cuboctahedra, faces with four equivalent Sc(1)Pr12 cuboctahedra, faces with six equivalent Pr(2)Pr8Sc4 cuboctahedra, and faces with eight equivalent Pr(1)Pr8Sc4 cuboctahedra. is represented by the CIF card [CIF]
data_Pr3Sc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.238
_cell_length_b   6.238
_cell_length_c   6.238
_cell_angle_alpha   131.758
_cell_angle_beta   131.758
_cell_angle_gamma   70.611
_symmetry_Int_Tables_number   1
_cell_volume   132.336
_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
  Sc  Sc3  1  0.000  0.000  0.000  1.0
[/CIF]
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The crystal structure described by Pr3Sc 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 Sc(1) atoms to form PrPr8Sc4 cuboctahedra that share corners with twelve equivalent Pr(1)Pr8Sc4 cuboctahedra, edges with eight equivalent Pr(1)Pr8Sc4 cuboctahedra, edges with eight equivalent Pr(2)Pr8Sc4 cuboctahedra, edges with eight equivalent Sc(1)Pr12 cuboctahedra, faces with four equivalent Pr(2)Pr8Sc4 cuboctahedra, faces with four equivalent Sc(1)Pr12 cuboctahedra, and faces with ten equivalent Pr(1)Pr8Sc4 cuboctahedra. In the second Pr site, Pr(2) is bonded to eight equivalent Pr(1) and four equivalent Sc(1) atoms to form PrPr8Sc4 cuboctahedra that share corners with four equivalent Pr(2)Pr8Sc4 cuboctahedra, corners with eight equivalent Sc(1)Pr12 cuboctahedra, edges with eight equivalent Pr(2)Pr8Sc4 cuboctahedra, edges with sixteen equivalent Pr(1)Pr8Sc4 cuboctahedra, faces with four equivalent Pr(2)Pr8Sc4 cuboctahedra, faces with six equivalent Sc(1)Pr12 cuboctahedra, and faces with eight equivalent Pr(1)Pr8Sc4 cuboctahedra. Sc(1) is bonded to four equivalent Pr(2) and eight equivalent Pr(1) atoms to form ScPr12 cuboctahedra that share corners with four equivalent Sc(1)Pr12 cuboctahedra, corners with eight equivalent Pr(2)Pr8Sc4 cuboctahedra, edges with eight equivalent Sc(1)Pr12 cuboctahedra, edges with sixteen equivalent Pr(1)Pr8Sc4 cuboctahedra, faces with four equivalent Sc(1)Pr12 cuboctahedra, faces with six equivalent Pr(2)Pr8Sc4 cuboctahedra, and faces with eight equivalent Pr(1)Pr8Sc4 cuboctahedra. is represented by the CIF card [CIF]
data_Pr3Sc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.238
_cell_length_b   6.238
_cell_length_c   6.238
_cell_angle_alpha   131.758
_cell_angle_beta   131.758
_cell_angle_gamma   70.611
_symmetry_Int_Tables_number   1
_cell_volume   132.336
_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
  Sc  Sc3  1  0.000  0.000  0.000  1.0
[/CIF]
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