The material described by Zr3PdSb7 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 9-coordinate geometry to one Sb(1), one Sb(5), one Sb(6), two equivalent Sb(3), two equivalent Sb(4), and two equivalent Sb(7) atoms. In the second Zr site, Zr(2) is bonded in a 8-coordinate geometry to one Pd(1), one Sb(5), two equivalent Sb(4), two equivalent Sb(6), and three equivalent Sb(2) atoms. In the third Zr site, Zr(3) is bonded in a 9-coordinate geometry to one Pd(1), one Sb(6), two equivalent Sb(1), two equivalent Sb(5), and three equivalent Sb(3) atoms. Pd(1) is bonded in a 8-coordinate geometry to one Zr(2), one Zr(3), one Sb(4), one Sb(7), two equivalent Sb(1), and two equivalent Sb(2) atoms. There are seven inequivalent Sb sites. In the first Sb site, Sb(6) is bonded in a 4-coordinate geometry to one Zr(1), one Zr(3), and two equivalent Zr(2) atoms. In the second Sb site, Sb(7) is bonded in a 3-coordinate geometry to two equivalent Zr(1) and one Pd(1) atom. In the third Sb site, Sb(1) is bonded in a 5-coordinate geometry to one Zr(1), two equivalent Zr(3), and two equivalent Pd(1) atoms. In the fourth Sb site, Sb(2) is bonded in a 5-coordinate geometry to three equivalent Zr(2) and two equivalent Pd(1) atoms. In the fifth Sb site, Sb(3) is bonded in a 5-coordinate geometry to two equivalent Zr(1) and three equivalent Zr(3) atoms. In the sixth Sb site, Sb(4) is bonded in a 5-coordinate geometry to two equivalent Zr(1), two equivalent Zr(2), and one Pd(1) atom. In the seventh Sb site, Sb(5) is bonded in a 4-coordinate geometry to one Zr(1), one Zr(2), and two equivalent Zr(3) atoms. is represented by the CIF card [CIF]
data_Zr3Sb7Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.983
_cell_length_b   14.617
_cell_length_c   17.772
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1034.623
_cell_formula_units_Z   4
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
  Zr  Zr0  1  0.250  0.311  0.847  1.0
  Zr  Zr1  1  0.250  0.189  0.347  1.0
  Zr  Zr2  1  0.750  0.689  0.153  1.0
  Zr  Zr3  1  0.750  0.811  0.653  1.0
  Zr  Zr4  1  0.250  0.031  0.870  1.0
  Zr  Zr5  1  0.250  0.469  0.370  1.0
  Zr  Zr6  1  0.750  0.969  0.130  1.0
  Zr  Zr7  1  0.750  0.531  0.630  1.0
  Zr  Zr8  1  0.250  0.587  0.892  1.0
  Zr  Zr9  1  0.250  0.913  0.392  1.0
  Zr  Zr10  1  0.750  0.413  0.108  1.0
  Zr  Zr11  1  0.750  0.087  0.608  1.0
  Sb  Sb12  1  0.250  0.195  0.520  1.0
  Sb  Sb13  1  0.250  0.305  0.020  1.0
  Sb  Sb14  1  0.750  0.805  0.480  1.0
  Sb  Sb15  1  0.750  0.695  0.980  1.0
  Sb  Sb16  1  0.250  0.429  0.536  1.0
  Sb  Sb17  1  0.250  0.071  0.036  1.0
  Sb  Sb18  1  0.750  0.571  0.464  1.0
  Sb  Sb19  1  0.750  0.929  0.964  1.0
  Sb  Sb20  1  0.250  0.939  0.572  1.0
  Sb  Sb21  1  0.250  0.561  0.072  1.0
  Sb  Sb22  1  0.750  0.061  0.428  1.0
  Sb  Sb23  1  0.750  0.439  0.928  1.0
  Sb  Sb24  1  0.250  0.677  0.592  1.0
  Sb  Sb25  1  0.250  0.823  0.092  1.0
  Sb  Sb26  1  0.750  0.323  0.408  1.0
  Sb  Sb27  1  0.750  0.177  0.908  1.0
  Sb  Sb28  1  0.250  0.147  0.727  1.0
  Sb  Sb29  1  0.250  0.353  0.227  1.0
  Sb  Sb30  1  0.750  0.853  0.273  1.0
  Sb  Sb31  1  0.750  0.647  0.773  1.0
  Sb  Sb32  1  0.250  0.480  0.748  1.0
  Sb  Sb33  1  0.250  0.020  0.248  1.0
  Sb  Sb34  1  0.750  0.520  0.252  1.0
  Sb  Sb35  1  0.750  0.980  0.752  1.0
  Sb  Sb36  1  0.250  0.819  0.785  1.0
  Sb  Sb37  1  0.250  0.681  0.285  1.0
  Sb  Sb38  1  0.750  0.181  0.215  1.0
  Sb  Sb39  1  0.750  0.319  0.715  1.0
  Pd  Pd40  1  0.250  0.810  0.936  1.0
  Pd  Pd41  1  0.250  0.690  0.436  1.0
  Pd  Pd42  1  0.750  0.190  0.064  1.0
  Pd  Pd43  1  0.750  0.310  0.564  1.0
[/CIF]
.
The material described by Zr3PdSb7 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 9-coordinate geometry to one Sb(1), one Sb(5), one Sb(6), two equivalent Sb(3), two equivalent Sb(4), and two equivalent Sb(7) atoms. In the second Zr site, Zr(2) is bonded in a 8-coordinate geometry to one Pd(1), one Sb(5), two equivalent Sb(4), two equivalent Sb(6), and three equivalent Sb(2) atoms. In the third Zr site, Zr(3) is bonded in a 9-coordinate geometry to one Pd(1), one Sb(6), two equivalent Sb(1), two equivalent Sb(5), and three equivalent Sb(3) atoms. Pd(1) is bonded in a 8-coordinate geometry to one Zr(2), one Zr(3), one Sb(4), one Sb(7), two equivalent Sb(1), and two equivalent Sb(2) atoms. There are seven inequivalent Sb sites. In the first Sb site, Sb(6) is bonded in a 4-coordinate geometry to one Zr(1), one Zr(3), and two equivalent Zr(2) atoms. In the second Sb site, Sb(7) is bonded in a 3-coordinate geometry to two equivalent Zr(1) and one Pd(1) atom. In the third Sb site, Sb(1) is bonded in a 5-coordinate geometry to one Zr(1), two equivalent Zr(3), and two equivalent Pd(1) atoms. In the fourth Sb site, Sb(2) is bonded in a 5-coordinate geometry to three equivalent Zr(2) and two equivalent Pd(1) atoms. In the fifth Sb site, Sb(3) is bonded in a 5-coordinate geometry to two equivalent Zr(1) and three equivalent Zr(3) atoms. In the sixth Sb site, Sb(4) is bonded in a 5-coordinate geometry to two equivalent Zr(1), two equivalent Zr(2), and one Pd(1) atom. In the seventh Sb site, Sb(5) is bonded in a 4-coordinate geometry to one Zr(1), one Zr(2), and two equivalent Zr(3) atoms. is represented by the CIF card [CIF]
data_Zr3Sb7Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.983
_cell_length_b   14.617
_cell_length_c   17.772
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1034.623
_cell_formula_units_Z   4
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
  Zr  Zr0  1  0.250  0.311  0.847  1.0
  Zr  Zr1  1  0.250  0.189  0.347  1.0
  Zr  Zr2  1  0.750  0.689  0.153  1.0
  Zr  Zr3  1  0.750  0.811  0.653  1.0
  Zr  Zr4  1  0.250  0.031  0.870  1.0
  Zr  Zr5  1  0.250  0.469  0.370  1.0
  Zr  Zr6  1  0.750  0.969  0.130  1.0
  Zr  Zr7  1  0.750  0.531  0.630  1.0
  Zr  Zr8  1  0.250  0.587  0.892  1.0
  Zr  Zr9  1  0.250  0.913  0.392  1.0
  Zr  Zr10  1  0.750  0.413  0.108  1.0
  Zr  Zr11  1  0.750  0.087  0.608  1.0
  Sb  Sb12  1  0.250  0.195  0.520  1.0
  Sb  Sb13  1  0.250  0.305  0.020  1.0
  Sb  Sb14  1  0.750  0.805  0.480  1.0
  Sb  Sb15  1  0.750  0.695  0.980  1.0
  Sb  Sb16  1  0.250  0.429  0.536  1.0
  Sb  Sb17  1  0.250  0.071  0.036  1.0
  Sb  Sb18  1  0.750  0.571  0.464  1.0
  Sb  Sb19  1  0.750  0.929  0.964  1.0
  Sb  Sb20  1  0.250  0.939  0.572  1.0
  Sb  Sb21  1  0.250  0.561  0.072  1.0
  Sb  Sb22  1  0.750  0.061  0.428  1.0
  Sb  Sb23  1  0.750  0.439  0.928  1.0
  Sb  Sb24  1  0.250  0.677  0.592  1.0
  Sb  Sb25  1  0.250  0.823  0.092  1.0
  Sb  Sb26  1  0.750  0.323  0.408  1.0
  Sb  Sb27  1  0.750  0.177  0.908  1.0
  Sb  Sb28  1  0.250  0.147  0.727  1.0
  Sb  Sb29  1  0.250  0.353  0.227  1.0
  Sb  Sb30  1  0.750  0.853  0.273  1.0
  Sb  Sb31  1  0.750  0.647  0.773  1.0
  Sb  Sb32  1  0.250  0.480  0.748  1.0
  Sb  Sb33  1  0.250  0.020  0.248  1.0
  Sb  Sb34  1  0.750  0.520  0.252  1.0
  Sb  Sb35  1  0.750  0.980  0.752  1.0
  Sb  Sb36  1  0.250  0.819  0.785  1.0
  Sb  Sb37  1  0.250  0.681  0.285  1.0
  Sb  Sb38  1  0.750  0.181  0.215  1.0
  Sb  Sb39  1  0.750  0.319  0.715  1.0
  Pd  Pd40  1  0.250  0.810  0.936  1.0
  Pd  Pd41  1  0.250  0.690  0.436  1.0
  Pd  Pd42  1  0.750  0.190  0.064  1.0
  Pd  Pd43  1  0.750  0.310  0.564  1.0
[/CIF]
.