The compound described by Tb5Pd2Sb crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded to four equivalent Pd(1) and two equivalent Sb(1) atoms to form distorted TbSb2Pd4 octahedra that share corners with six equivalent Tb(1)Sb2Pd4 octahedra, corners with sixteen equivalent Tb(2)Sb2Pd3 trigonal bipyramids, and faces with eight equivalent Tb(2)Sb2Pd3 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 0-49°. In the second Tb site, Tb(2) is bonded to three equivalent Pd(1) and two equivalent Sb(1) atoms to form distorted TbSb2Pd3 trigonal bipyramids that share corners with four equivalent Tb(1)Sb2Pd4 octahedra, corners with twelve equivalent Tb(2)Sb2Pd3 trigonal bipyramids, edges with seven equivalent Tb(2)Sb2Pd3 trigonal bipyramids, faces with two equivalent Tb(1)Sb2Pd4 octahedra, and  a faceface with one Tb(2)Sb2Pd3 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 43-64°. Pd(1) is bonded in a 8-coordinate geometry to two equivalent Tb(1) and six equivalent Tb(2) atoms. Sb(1) is bonded in a distorted q6 geometry to two equivalent Tb(1) and eight equivalent Tb(2) atoms. is represented by the CIF file [CIF]
data_Tb5SbPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.768
_cell_length_b   8.768
_cell_length_c   8.768
_cell_angle_alpha   126.958
_cell_angle_beta   126.958
_cell_angle_gamma   78.319
_symmetry_Int_Tables_number   1
_cell_volume   416.785
_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  0.000  0.000  0.000  1.0
  Tb  Tb1  1  0.500  0.500  0.000  1.0
  Tb  Tb2  1  0.799  0.299  0.813  1.0
  Tb  Tb3  1  0.201  0.701  0.187  1.0
  Tb  Tb4  1  0.486  0.986  0.187  1.0
  Tb  Tb5  1  0.299  0.486  0.500  1.0
  Tb  Tb6  1  0.014  0.201  0.500  1.0
  Tb  Tb7  1  0.514  0.014  0.813  1.0
  Tb  Tb8  1  0.701  0.514  0.500  1.0
  Tb  Tb9  1  0.986  0.799  0.500  1.0
  Sb  Sb10  1  0.250  0.250  0.000  1.0
  Sb  Sb11  1  0.750  0.750  0.000  1.0
  Pd  Pd12  1  0.137  0.637  0.773  1.0
  Pd  Pd13  1  0.863  0.363  0.227  1.0
  Pd  Pd14  1  0.637  0.863  0.500  1.0
  Pd  Pd15  1  0.363  0.137  0.500  1.0
[/CIF]
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The compound described by Tb5Pd2Sb crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded to four equivalent Pd(1) and two equivalent Sb(1) atoms to form distorted TbSb2Pd4 octahedra that share corners with six equivalent Tb(1)Sb2Pd4 octahedra, corners with sixteen equivalent Tb(2)Sb2Pd3 trigonal bipyramids, and faces with eight equivalent Tb(2)Sb2Pd3 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 0-49°. In the second Tb site, Tb(2) is bonded to three equivalent Pd(1) and two equivalent Sb(1) atoms to form distorted TbSb2Pd3 trigonal bipyramids that share corners with four equivalent Tb(1)Sb2Pd4 octahedra, corners with twelve equivalent Tb(2)Sb2Pd3 trigonal bipyramids, edges with seven equivalent Tb(2)Sb2Pd3 trigonal bipyramids, faces with two equivalent Tb(1)Sb2Pd4 octahedra, and  a faceface with one Tb(2)Sb2Pd3 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 43-64°. Pd(1) is bonded in a 8-coordinate geometry to two equivalent Tb(1) and six equivalent Tb(2) atoms. Sb(1) is bonded in a distorted q6 geometry to two equivalent Tb(1) and eight equivalent Tb(2) atoms. is represented by the CIF file [CIF]
data_Tb5SbPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.768
_cell_length_b   8.768
_cell_length_c   8.768
_cell_angle_alpha   126.958
_cell_angle_beta   126.958
_cell_angle_gamma   78.319
_symmetry_Int_Tables_number   1
_cell_volume   416.785
_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  0.000  0.000  0.000  1.0
  Tb  Tb1  1  0.500  0.500  0.000  1.0
  Tb  Tb2  1  0.799  0.299  0.813  1.0
  Tb  Tb3  1  0.201  0.701  0.187  1.0
  Tb  Tb4  1  0.486  0.986  0.187  1.0
  Tb  Tb5  1  0.299  0.486  0.500  1.0
  Tb  Tb6  1  0.014  0.201  0.500  1.0
  Tb  Tb7  1  0.514  0.014  0.813  1.0
  Tb  Tb8  1  0.701  0.514  0.500  1.0
  Tb  Tb9  1  0.986  0.799  0.500  1.0
  Sb  Sb10  1  0.250  0.250  0.000  1.0
  Sb  Sb11  1  0.750  0.750  0.000  1.0
  Pd  Pd12  1  0.137  0.637  0.773  1.0
  Pd  Pd13  1  0.863  0.363  0.227  1.0
  Pd  Pd14  1  0.637  0.863  0.500  1.0
  Pd  Pd15  1  0.363  0.137  0.500  1.0
[/CIF]
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