The crystal structure described by Sm3Pr is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded to four equivalent Sm(1), four equivalent Sm(2), and four equivalent Pr(1) atoms to form SmPr4Sm8 cuboctahedra that share corners with twelve equivalent Sm(1)Pr4Sm8 cuboctahedra, edges with eight equivalent Sm(1)Pr4Sm8 cuboctahedra, edges with eight equivalent Sm(2)Pr4Sm8 cuboctahedra, edges with eight equivalent Pr(1)Sm12 cuboctahedra, faces with four equivalent Sm(2)Pr4Sm8 cuboctahedra, faces with four equivalent Pr(1)Sm12 cuboctahedra, and faces with ten equivalent Sm(1)Pr4Sm8 cuboctahedra. In the second Sm site, Sm(2) is bonded to eight equivalent Sm(1) and four equivalent Pr(1) atoms to form SmPr4Sm8 cuboctahedra that share corners with four equivalent Sm(2)Pr4Sm8 cuboctahedra, corners with eight equivalent Pr(1)Sm12 cuboctahedra, edges with eight equivalent Sm(2)Pr4Sm8 cuboctahedra, edges with sixteen equivalent Sm(1)Pr4Sm8 cuboctahedra, faces with four equivalent Sm(2)Pr4Sm8 cuboctahedra, faces with six equivalent Pr(1)Sm12 cuboctahedra, and faces with eight equivalent Sm(1)Pr4Sm8 cuboctahedra. Pr(1) is bonded to four equivalent Sm(2) and eight equivalent Sm(1) atoms to form PrSm12 cuboctahedra that share corners with four equivalent Pr(1)Sm12 cuboctahedra, corners with eight equivalent Sm(2)Pr4Sm8 cuboctahedra, edges with eight equivalent Pr(1)Sm12 cuboctahedra, edges with sixteen equivalent Sm(1)Pr4Sm8 cuboctahedra, faces with four equivalent Pr(1)Sm12 cuboctahedra, faces with six equivalent Sm(2)Pr4Sm8 cuboctahedra, and faces with eight equivalent Sm(1)Pr4Sm8 cuboctahedra. is represented by the CIF card [CIF]
data_PrSm3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.307
_cell_length_b   6.307
_cell_length_c   6.307
_cell_angle_alpha   131.438
_cell_angle_beta   131.438
_cell_angle_gamma   71.118
_symmetry_Int_Tables_number   1
_cell_volume   138.028
_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  0.000  0.000  0.000  1.0
  Sm  Sm1  1  0.750  0.250  0.500  1.0
  Sm  Sm2  1  0.250  0.750  0.500  1.0
  Sm  Sm3  1  0.500  0.500  0.000  1.0
[/CIF]
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The crystal structure described by Sm3Pr is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded to four equivalent Sm(1), four equivalent Sm(2), and four equivalent Pr(1) atoms to form SmPr4Sm8 cuboctahedra that share corners with twelve equivalent Sm(1)Pr4Sm8 cuboctahedra, edges with eight equivalent Sm(1)Pr4Sm8 cuboctahedra, edges with eight equivalent Sm(2)Pr4Sm8 cuboctahedra, edges with eight equivalent Pr(1)Sm12 cuboctahedra, faces with four equivalent Sm(2)Pr4Sm8 cuboctahedra, faces with four equivalent Pr(1)Sm12 cuboctahedra, and faces with ten equivalent Sm(1)Pr4Sm8 cuboctahedra. In the second Sm site, Sm(2) is bonded to eight equivalent Sm(1) and four equivalent Pr(1) atoms to form SmPr4Sm8 cuboctahedra that share corners with four equivalent Sm(2)Pr4Sm8 cuboctahedra, corners with eight equivalent Pr(1)Sm12 cuboctahedra, edges with eight equivalent Sm(2)Pr4Sm8 cuboctahedra, edges with sixteen equivalent Sm(1)Pr4Sm8 cuboctahedra, faces with four equivalent Sm(2)Pr4Sm8 cuboctahedra, faces with six equivalent Pr(1)Sm12 cuboctahedra, and faces with eight equivalent Sm(1)Pr4Sm8 cuboctahedra. Pr(1) is bonded to four equivalent Sm(2) and eight equivalent Sm(1) atoms to form PrSm12 cuboctahedra that share corners with four equivalent Pr(1)Sm12 cuboctahedra, corners with eight equivalent Sm(2)Pr4Sm8 cuboctahedra, edges with eight equivalent Pr(1)Sm12 cuboctahedra, edges with sixteen equivalent Sm(1)Pr4Sm8 cuboctahedra, faces with four equivalent Pr(1)Sm12 cuboctahedra, faces with six equivalent Sm(2)Pr4Sm8 cuboctahedra, and faces with eight equivalent Sm(1)Pr4Sm8 cuboctahedra. is represented by the CIF card [CIF]
data_PrSm3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.307
_cell_length_b   6.307
_cell_length_c   6.307
_cell_angle_alpha   131.438
_cell_angle_beta   131.438
_cell_angle_gamma   71.118
_symmetry_Int_Tables_number   1
_cell_volume   138.028
_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  0.000  0.000  0.000  1.0
  Sm  Sm1  1  0.750  0.250  0.500  1.0
  Sm  Sm2  1  0.250  0.750  0.500  1.0
  Sm  Sm3  1  0.500  0.500  0.000  1.0
[/CIF]
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