The material structure described by Zr2PdSb3 crystallizes in the tetragonal P-4m2 space group. Zr(1) is bonded in a 9-coordinate geometry to two equivalent Pd(1), two equivalent Sb(2), and five equivalent Sb(1) atoms. Pd(1) is bonded to four equivalent Zr(1) and four equivalent Sb(2) atoms to form distorted PdZr4Sb4 hexagonal bipyramids that share corners with four equivalent Pd(1)Zr4Sb4 hexagonal bipyramids, edges with four equivalent Sb(2)Zr4Pd4 hexagonal bipyramids, and faces with four equivalent Pd(1)Zr4Sb4 hexagonal bipyramids. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 5-coordinate geometry to five equivalent Zr(1) atoms. In the second Sb site, Sb(2) is bonded to four equivalent Zr(1) and four equivalent Pd(1) atoms to form distorted SbZr4Pd4 hexagonal bipyramids that share corners with four equivalent Sb(2)Zr4Pd4 hexagonal bipyramids, edges with four equivalent Pd(1)Zr4Sb4 hexagonal bipyramids, and faces with four equivalent Sb(2)Zr4Pd4 hexagonal bipyramids. is represented by the CIF card [CIF]
data_Zr2Sb3Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.961
_cell_length_b   3.961
_cell_length_c   8.739
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   137.127
_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
  Zr  Zr0  1  0.500  0.000  0.739  1.0
  Zr  Zr1  1  0.000  0.500  0.261  1.0
  Sb  Sb2  1  0.500  0.000  0.384  1.0
  Sb  Sb3  1  0.000  0.500  0.616  1.0
  Sb  Sb4  1  0.000  0.000  0.000  1.0
  Pd  Pd5  1  0.500  0.500  0.000  1.0
[/CIF]
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The material structure described by Zr2PdSb3 crystallizes in the tetragonal P-4m2 space group. Zr(1) is bonded in a 9-coordinate geometry to two equivalent Pd(1), two equivalent Sb(2), and five equivalent Sb(1) atoms. Pd(1) is bonded to four equivalent Zr(1) and four equivalent Sb(2) atoms to form distorted PdZr4Sb4 hexagonal bipyramids that share corners with four equivalent Pd(1)Zr4Sb4 hexagonal bipyramids, edges with four equivalent Sb(2)Zr4Pd4 hexagonal bipyramids, and faces with four equivalent Pd(1)Zr4Sb4 hexagonal bipyramids. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 5-coordinate geometry to five equivalent Zr(1) atoms. In the second Sb site, Sb(2) is bonded to four equivalent Zr(1) and four equivalent Pd(1) atoms to form distorted SbZr4Pd4 hexagonal bipyramids that share corners with four equivalent Sb(2)Zr4Pd4 hexagonal bipyramids, edges with four equivalent Pd(1)Zr4Sb4 hexagonal bipyramids, and faces with four equivalent Sb(2)Zr4Pd4 hexagonal bipyramids. is represented by the CIF card [CIF]
data_Zr2Sb3Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.961
_cell_length_b   3.961
_cell_length_c   8.739
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   137.127
_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
  Zr  Zr0  1  0.500  0.000  0.739  1.0
  Zr  Zr1  1  0.000  0.500  0.261  1.0
  Sb  Sb2  1  0.500  0.000  0.384  1.0
  Sb  Sb3  1  0.000  0.500  0.616  1.0
  Sb  Sb4  1  0.000  0.000  0.000  1.0
  Pd  Pd5  1  0.500  0.500  0.000  1.0
[/CIF]
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