The material structure described by Tb3(Pd2Sb)4 crystallizes in the cubic Fm-3m space group. Tb(1) is bonded in a 13-coordinate geometry to four equivalent Pd(1), four equivalent Pd(2), one Sb(3), and four equivalent Sb(2) atoms. There are two inequivalent Pd sites. In the first Pd site, Pd(2) is bonded in a 6-coordinate geometry to three equivalent Tb(1) and three equivalent Sb(2) atoms. In the second Pd site, Pd(1) is bonded in a 7-coordinate geometry to three equivalent Tb(1), one Sb(1), and three equivalent Sb(2) atoms. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a body-centered cubic geometry to eight equivalent Pd(1) atoms. In the second Sb site, Sb(2) is bonded to four equivalent Tb(1), four equivalent Pd(1), and four equivalent Pd(2) atoms to form SbTb4Pd8 cuboctahedra that share corners with four equivalent Sb(2)Tb4Pd8 cuboctahedra, edges with two equivalent Sb(3)Tb6 octahedra, and faces with eight equivalent Sb(2)Tb4Pd8 cuboctahedra. In the third Sb site, Sb(3) is bonded to six equivalent Tb(1) atoms to form edge-sharing SbTb6 octahedra. is represented by the CIF card [CIF]
data_Tb3(SbPd2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.405
_cell_length_b   9.405
_cell_length_c   9.405
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   588.188
_cell_formula_units_Z   2
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  0.725  0.275  0.275  1.0
  Tb  Tb1  1  0.275  0.725  0.725  1.0
  Tb  Tb2  1  0.275  0.725  0.275  1.0
  Tb  Tb3  1  0.725  0.275  0.725  1.0
  Tb  Tb4  1  0.275  0.275  0.725  1.0
  Tb  Tb5  1  0.725  0.725  0.275  1.0
  Sb  Sb6  1  0.000  0.000  0.000  1.0
  Sb  Sb7  1  0.500  0.000  0.000  1.0
  Sb  Sb8  1  0.000  0.500  0.500  1.0
  Sb  Sb9  1  0.000  0.500  0.000  1.0
  Sb  Sb10  1  0.500  0.000  0.500  1.0
  Sb  Sb11  1  0.000  0.000  0.500  1.0
  Sb  Sb12  1  0.500  0.500  0.000  1.0
  Sb  Sb13  1  0.500  0.500  0.500  1.0
  Pd  Pd14  1  0.119  0.119  0.119  1.0
  Pd  Pd15  1  0.881  0.881  0.881  1.0
  Pd  Pd16  1  0.119  0.119  0.644  1.0
  Pd  Pd17  1  0.119  0.644  0.119  1.0
  Pd  Pd18  1  0.881  0.881  0.356  1.0
  Pd  Pd19  1  0.881  0.356  0.881  1.0
  Pd  Pd20  1  0.644  0.119  0.119  1.0
  Pd  Pd21  1  0.356  0.881  0.881  1.0
  Pd  Pd22  1  0.332  0.332  0.332  1.0
  Pd  Pd23  1  0.668  0.668  0.668  1.0
  Pd  Pd24  1  0.332  0.332  0.003  1.0
  Pd  Pd25  1  0.332  0.003  0.332  1.0
  Pd  Pd26  1  0.668  0.668  0.997  1.0
  Pd  Pd27  1  0.668  0.997  0.668  1.0
  Pd  Pd28  1  0.003  0.332  0.332  1.0
  Pd  Pd29  1  0.997  0.668  0.668  1.0
[/CIF]
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The material structure described by Tb3(Pd2Sb)4 crystallizes in the cubic Fm-3m space group. Tb(1) is bonded in a 13-coordinate geometry to four equivalent Pd(1), four equivalent Pd(2), one Sb(3), and four equivalent Sb(2) atoms. There are two inequivalent Pd sites. In the first Pd site, Pd(2) is bonded in a 6-coordinate geometry to three equivalent Tb(1) and three equivalent Sb(2) atoms. In the second Pd site, Pd(1) is bonded in a 7-coordinate geometry to three equivalent Tb(1), one Sb(1), and three equivalent Sb(2) atoms. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a body-centered cubic geometry to eight equivalent Pd(1) atoms. In the second Sb site, Sb(2) is bonded to four equivalent Tb(1), four equivalent Pd(1), and four equivalent Pd(2) atoms to form SbTb4Pd8 cuboctahedra that share corners with four equivalent Sb(2)Tb4Pd8 cuboctahedra, edges with two equivalent Sb(3)Tb6 octahedra, and faces with eight equivalent Sb(2)Tb4Pd8 cuboctahedra. In the third Sb site, Sb(3) is bonded to six equivalent Tb(1) atoms to form edge-sharing SbTb6 octahedra. is represented by the CIF card [CIF]
data_Tb3(SbPd2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.405
_cell_length_b   9.405
_cell_length_c   9.405
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   588.188
_cell_formula_units_Z   2
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  0.725  0.275  0.275  1.0
  Tb  Tb1  1  0.275  0.725  0.725  1.0
  Tb  Tb2  1  0.275  0.725  0.275  1.0
  Tb  Tb3  1  0.725  0.275  0.725  1.0
  Tb  Tb4  1  0.275  0.275  0.725  1.0
  Tb  Tb5  1  0.725  0.725  0.275  1.0
  Sb  Sb6  1  0.000  0.000  0.000  1.0
  Sb  Sb7  1  0.500  0.000  0.000  1.0
  Sb  Sb8  1  0.000  0.500  0.500  1.0
  Sb  Sb9  1  0.000  0.500  0.000  1.0
  Sb  Sb10  1  0.500  0.000  0.500  1.0
  Sb  Sb11  1  0.000  0.000  0.500  1.0
  Sb  Sb12  1  0.500  0.500  0.000  1.0
  Sb  Sb13  1  0.500  0.500  0.500  1.0
  Pd  Pd14  1  0.119  0.119  0.119  1.0
  Pd  Pd15  1  0.881  0.881  0.881  1.0
  Pd  Pd16  1  0.119  0.119  0.644  1.0
  Pd  Pd17  1  0.119  0.644  0.119  1.0
  Pd  Pd18  1  0.881  0.881  0.356  1.0
  Pd  Pd19  1  0.881  0.356  0.881  1.0
  Pd  Pd20  1  0.644  0.119  0.119  1.0
  Pd  Pd21  1  0.356  0.881  0.881  1.0
  Pd  Pd22  1  0.332  0.332  0.332  1.0
  Pd  Pd23  1  0.668  0.668  0.668  1.0
  Pd  Pd24  1  0.332  0.332  0.003  1.0
  Pd  Pd25  1  0.332  0.003  0.332  1.0
  Pd  Pd26  1  0.668  0.668  0.997  1.0
  Pd  Pd27  1  0.668  0.997  0.668  1.0
  Pd  Pd28  1  0.003  0.332  0.332  1.0
  Pd  Pd29  1  0.997  0.668  0.668  1.0
[/CIF]
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