The crystal structure described by Sm3Sc is beta Cu3Ti-like 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 Sc(1) atoms to form SmSm8Sc4 cuboctahedra that share corners with twelve equivalent Sm(1)Sm8Sc4 cuboctahedra, edges with eight equivalent Sm(1)Sm8Sc4 cuboctahedra, edges with eight equivalent Sm(2)Sm8Sc4 cuboctahedra, edges with eight equivalent Sc(1)Sm12 cuboctahedra, faces with four equivalent Sm(2)Sm8Sc4 cuboctahedra, faces with four equivalent Sc(1)Sm12 cuboctahedra, and faces with ten equivalent Sm(1)Sm8Sc4 cuboctahedra. In the second Sm site, Sm(2) is bonded to eight equivalent Sm(1) and four equivalent Sc(1) atoms to form SmSm8Sc4 cuboctahedra that share corners with four equivalent Sm(2)Sm8Sc4 cuboctahedra, corners with eight equivalent Sc(1)Sm12 cuboctahedra, edges with eight equivalent Sm(2)Sm8Sc4 cuboctahedra, edges with sixteen equivalent Sm(1)Sm8Sc4 cuboctahedra, faces with four equivalent Sm(2)Sm8Sc4 cuboctahedra, faces with six equivalent Sc(1)Sm12 cuboctahedra, and faces with eight equivalent Sm(1)Sm8Sc4 cuboctahedra. Sc(1) is bonded to four equivalent Sm(2) and eight equivalent Sm(1) atoms to form ScSm12 cuboctahedra that share corners with four equivalent Sc(1)Sm12 cuboctahedra, corners with eight equivalent Sm(2)Sm8Sc4 cuboctahedra, edges with eight equivalent Sc(1)Sm12 cuboctahedra, edges with sixteen equivalent Sm(1)Sm8Sc4 cuboctahedra, faces with four equivalent Sc(1)Sm12 cuboctahedra, faces with six equivalent Sm(2)Sm8Sc4 cuboctahedra, and faces with eight equivalent Sm(1)Sm8Sc4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sm3Sc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.085
_cell_length_b   6.085
_cell_length_c   6.085
_cell_angle_alpha   131.022
_cell_angle_beta   131.022
_cell_angle_gamma   71.778
_symmetry_Int_Tables_number   1
_cell_volume   125.449
_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
  Sm  Sm0  1  0.750  0.250  0.500  1.0
  Sm  Sm1  1  0.250  0.750  0.500  1.0
  Sm  Sm2  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 Sm3Sc is beta Cu3Ti-like 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 Sc(1) atoms to form SmSm8Sc4 cuboctahedra that share corners with twelve equivalent Sm(1)Sm8Sc4 cuboctahedra, edges with eight equivalent Sm(1)Sm8Sc4 cuboctahedra, edges with eight equivalent Sm(2)Sm8Sc4 cuboctahedra, edges with eight equivalent Sc(1)Sm12 cuboctahedra, faces with four equivalent Sm(2)Sm8Sc4 cuboctahedra, faces with four equivalent Sc(1)Sm12 cuboctahedra, and faces with ten equivalent Sm(1)Sm8Sc4 cuboctahedra. In the second Sm site, Sm(2) is bonded to eight equivalent Sm(1) and four equivalent Sc(1) atoms to form SmSm8Sc4 cuboctahedra that share corners with four equivalent Sm(2)Sm8Sc4 cuboctahedra, corners with eight equivalent Sc(1)Sm12 cuboctahedra, edges with eight equivalent Sm(2)Sm8Sc4 cuboctahedra, edges with sixteen equivalent Sm(1)Sm8Sc4 cuboctahedra, faces with four equivalent Sm(2)Sm8Sc4 cuboctahedra, faces with six equivalent Sc(1)Sm12 cuboctahedra, and faces with eight equivalent Sm(1)Sm8Sc4 cuboctahedra. Sc(1) is bonded to four equivalent Sm(2) and eight equivalent Sm(1) atoms to form ScSm12 cuboctahedra that share corners with four equivalent Sc(1)Sm12 cuboctahedra, corners with eight equivalent Sm(2)Sm8Sc4 cuboctahedra, edges with eight equivalent Sc(1)Sm12 cuboctahedra, edges with sixteen equivalent Sm(1)Sm8Sc4 cuboctahedra, faces with four equivalent Sc(1)Sm12 cuboctahedra, faces with six equivalent Sm(2)Sm8Sc4 cuboctahedra, and faces with eight equivalent Sm(1)Sm8Sc4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sm3Sc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.085
_cell_length_b   6.085
_cell_length_c   6.085
_cell_angle_alpha   131.022
_cell_angle_beta   131.022
_cell_angle_gamma   71.778
_symmetry_Int_Tables_number   1
_cell_volume   125.449
_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
  Sm  Sm0  1  0.750  0.250  0.500  1.0
  Sm  Sm1  1  0.250  0.750  0.500  1.0
  Sm  Sm2  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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