The material structure described by Tb3Sc is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded to four equivalent Tb(1), four equivalent Tb(2), and four equivalent Sc(1) atoms to form TbTb8Sc4 cuboctahedra that share corners with twelve equivalent Tb(1)Tb8Sc4 cuboctahedra, edges with eight equivalent Tb(1)Tb8Sc4 cuboctahedra, edges with eight equivalent Tb(2)Tb8Sc4 cuboctahedra, edges with eight equivalent Sc(1)Tb12 cuboctahedra, faces with four equivalent Tb(2)Tb8Sc4 cuboctahedra, faces with four equivalent Sc(1)Tb12 cuboctahedra, and faces with ten equivalent Tb(1)Tb8Sc4 cuboctahedra. In the second Tb site, Tb(2) is bonded to eight equivalent Tb(1) and four equivalent Sc(1) atoms to form TbTb8Sc4 cuboctahedra that share corners with four equivalent Tb(2)Tb8Sc4 cuboctahedra, corners with eight equivalent Sc(1)Tb12 cuboctahedra, edges with eight equivalent Tb(2)Tb8Sc4 cuboctahedra, edges with sixteen equivalent Tb(1)Tb8Sc4 cuboctahedra, faces with four equivalent Tb(2)Tb8Sc4 cuboctahedra, faces with six equivalent Sc(1)Tb12 cuboctahedra, and faces with eight equivalent Tb(1)Tb8Sc4 cuboctahedra. Sc(1) is bonded to four equivalent Tb(2) and eight equivalent Tb(1) atoms to form ScTb12 cuboctahedra that share corners with four equivalent Sc(1)Tb12 cuboctahedra, corners with eight equivalent Tb(2)Tb8Sc4 cuboctahedra, edges with eight equivalent Sc(1)Tb12 cuboctahedra, edges with sixteen equivalent Tb(1)Tb8Sc4 cuboctahedra, faces with four equivalent Sc(1)Tb12 cuboctahedra, faces with six equivalent Tb(2)Tb8Sc4 cuboctahedra, and faces with eight equivalent Tb(1)Tb8Sc4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tb3Sc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.011
_cell_length_b   6.011
_cell_length_c   6.011
_cell_angle_alpha   131.080
_cell_angle_beta   131.080
_cell_angle_gamma   71.685
_symmetry_Int_Tables_number   1
_cell_volume   120.743
_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
  Tb  Tb0  1  0.750  0.250  0.500  1.0
  Tb  Tb1  1  0.250  0.750  0.500  1.0
  Tb  Tb2  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 material structure described by Tb3Sc is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded to four equivalent Tb(1), four equivalent Tb(2), and four equivalent Sc(1) atoms to form TbTb8Sc4 cuboctahedra that share corners with twelve equivalent Tb(1)Tb8Sc4 cuboctahedra, edges with eight equivalent Tb(1)Tb8Sc4 cuboctahedra, edges with eight equivalent Tb(2)Tb8Sc4 cuboctahedra, edges with eight equivalent Sc(1)Tb12 cuboctahedra, faces with four equivalent Tb(2)Tb8Sc4 cuboctahedra, faces with four equivalent Sc(1)Tb12 cuboctahedra, and faces with ten equivalent Tb(1)Tb8Sc4 cuboctahedra. In the second Tb site, Tb(2) is bonded to eight equivalent Tb(1) and four equivalent Sc(1) atoms to form TbTb8Sc4 cuboctahedra that share corners with four equivalent Tb(2)Tb8Sc4 cuboctahedra, corners with eight equivalent Sc(1)Tb12 cuboctahedra, edges with eight equivalent Tb(2)Tb8Sc4 cuboctahedra, edges with sixteen equivalent Tb(1)Tb8Sc4 cuboctahedra, faces with four equivalent Tb(2)Tb8Sc4 cuboctahedra, faces with six equivalent Sc(1)Tb12 cuboctahedra, and faces with eight equivalent Tb(1)Tb8Sc4 cuboctahedra. Sc(1) is bonded to four equivalent Tb(2) and eight equivalent Tb(1) atoms to form ScTb12 cuboctahedra that share corners with four equivalent Sc(1)Tb12 cuboctahedra, corners with eight equivalent Tb(2)Tb8Sc4 cuboctahedra, edges with eight equivalent Sc(1)Tb12 cuboctahedra, edges with sixteen equivalent Tb(1)Tb8Sc4 cuboctahedra, faces with four equivalent Sc(1)Tb12 cuboctahedra, faces with six equivalent Tb(2)Tb8Sc4 cuboctahedra, and faces with eight equivalent Tb(1)Tb8Sc4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tb3Sc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.011
_cell_length_b   6.011
_cell_length_c   6.011
_cell_angle_alpha   131.080
_cell_angle_beta   131.080
_cell_angle_gamma   71.685
_symmetry_Int_Tables_number   1
_cell_volume   120.743
_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
  Tb  Tb0  1  0.750  0.250  0.500  1.0
  Tb  Tb1  1  0.250  0.750  0.500  1.0
  Tb  Tb2  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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